{"diffoscope-json-version": 1, "source1": "/srv/reproducible-results/rbuild-debian/r-b-build.kfndP4A5/b1/gromacs_2025.0~beta-1_amd64.changes", "source2": "/srv/reproducible-results/rbuild-debian/r-b-build.kfndP4A5/b2/gromacs_2025.0~beta-1_amd64.changes", "unified_diff": null, "details": [{"source1": "Files", "source2": "Files", "unified_diff": "@@ -1,9 +1,9 @@\n \n- a1bdd917b07fbaf66f7c1b4ea1936717 45956464 science optional gromacs-data_2025.0~beta-1_all.deb\n+ 615026a4224a4e42621b4421521f9beb 45956876 science optional gromacs-data_2025.0~beta-1_all.deb\n  c0baa346bc5cebe60d5410522c1e9516 1037712 debug optional gromacs-dbgsym_2025.0~beta-1_amd64.deb\n  a661efc3c4250b9d65420b9a19a46418 61020 science optional gromacs_2025.0~beta-1_amd64.deb\n  b5c322f7c0b2a2eb544da9283c88f65c 174456 libdevel optional libgromacs-dev_2025.0~beta-1_amd64.deb\n  56031255d0dc18cc5fcd3b2d99d6f07e 565174472 debug optional libgromacs10-dbgsym_2025.0~beta-1_amd64.deb\n  421317fd8684016e994b58994230bfb9 32992084 libs optional libgromacs10_2025.0~beta-1_amd64.deb\n  e6f7eb42383350e97f5a419c814d39d9 33412 libdevel optional libnblib-gmx-dev_2025.0~beta-1_amd64.deb\n  1961f4ebde3afc9acae4574e6066caf9 7365744 debug optional libnblib-gmx0-dbgsym_2025.0~beta-1_amd64.deb\n"}, {"source1": "gromacs-data_2025.0~beta-1_all.deb", "source2": "gromacs-data_2025.0~beta-1_all.deb", "unified_diff": null, "details": [{"source1": "file list", "source2": "file list", "unified_diff": "@@ -1,3 +1,3 @@\n -rw-r--r--   0        0        0        4 2024-12-07 17:05:28.000000 debian-binary\n--rw-r--r--   0        0        0   460076 2024-12-07 17:05:28.000000 control.tar.xz\n--rw-r--r--   0        0        0 45496196 2024-12-07 17:05:28.000000 data.tar.xz\n+-rw-r--r--   0        0        0   460060 2024-12-07 17:05:28.000000 control.tar.xz\n+-rw-r--r--   0        0        0 45496624 2024-12-07 17:05:28.000000 data.tar.xz\n"}, {"source1": "control.tar.xz", "source2": "control.tar.xz", "unified_diff": null, "details": [{"source1": "control.tar", "source2": "control.tar", "unified_diff": null, "details": [{"source1": "./control", "source2": "./control", "unified_diff": "@@ -1,13 +1,13 @@\n Package: gromacs-data\n Source: gromacs\n Version: 2025.0~beta-1\n Architecture: all\n Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>\n-Installed-Size: 328611\n+Installed-Size: 328608\n Depends: libjs-mathjax\n Recommends: gromacs\n Section: science\n Priority: optional\n Multi-Arch: foreign\n Homepage: https://www.gromacs.org/\n Description: GROMACS molecular dynamics sim, data and documentation\n"}, {"source1": "./md5sums", "source2": "./md5sums", "unified_diff": null, "details": [{"source1": "./md5sums", "source2": "./md5sums", "comments": ["Files differ"], "unified_diff": null}]}]}]}, {"source1": "data.tar.xz", "source2": "data.tar.xz", "unified_diff": null, "details": [{"source1": "data.tar", "source2": "data.tar", "unified_diff": null, "details": [{"source1": "file list", "source2": "file list", "unified_diff": "@@ -4898,15 +4898,15 @@\n -rw-r--r--   0 root         (0) root         (0)    57841 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/domdechelper_8h__incl.svg\n -rw-r--r--   0 root         (0) root         (0)     4939 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dot_inline_dotgraph_1.svg\n -rw-r--r--   0 root         (0) root         (0)     9044 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dot_inline_dotgraph_2.svg\n -rw-r--r--   0 root         (0) root         (0)     3109 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dot_inline_dotgraph_3.svg\n -rw-r--r--   0 root         (0) root         (0)     9571 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dot_inline_dotgraph_4.svg\n -rw-r--r--   0 root         (0) root         (0)     9642 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dot_inline_dotgraph_5.svg\n -rw-r--r--   0 root         (0) root         (0)     7608 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dot_inline_dotgraph_6.svg\n--rw-r--r--   0 root         (0) root         (0)   166184 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dot_module-deps.svg\n+-rw-r--r--   0 root         (0) root         (0)   162898 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dot_module-deps.svg\n -rw-r--r--   0 root         (0) root         (0)    45631 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/doxygen.css\n -rw-r--r--   0 root         (0) root         (0)    15461 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/doxygen.svg\n -rw-r--r--   0 root         (0) root         (0)     6500 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dssp_8h.xhtml\n -rw-r--r--   0 root         (0) root         (0)     3968 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dssp_8h__dep__incl.svg\n -rw-r--r--   0 root         (0) root         (0)    22066 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dssp_8h__incl.svg\n -rw-r--r--   0 root         (0) root         (0)     7704 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/dynsections.js\n -rw-r--r--   0 root         (0) root         (0)    21956 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/edsam_8h.xhtml\n@@ -8951,36 +8951,36 @@\n -rw-r--r--   0 root         (0) root         (0)    11855 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/scatteringfactors_8h__dep__incl.svg\n -rw-r--r--   0 root         (0) root         (0)     3268 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/scatteringfactors_8h__incl.svg\n -rw-r--r--   0 root         (0) root         (0)     8174 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/scope__guard_8cpp.xhtml\n -rw-r--r--   0 root         (0) root         (0)     3361 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/scope__guard_8cpp__incl.svg\n drwxr-xr-x   0 root         (0) root         (0)        0 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/\n -rw-r--r--   0 root         (0) root         (0)      152 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_0.js\n -rw-r--r--   0 root         (0) root         (0)      148 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_1.js\n--rw-r--r--   0 root         (0) root         (0)   115106 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_10.js\n+-rw-r--r--   0 root         (0) root         (0)   115082 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_10.js\n -rw-r--r--   0 root         (0) root         (0)   110497 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_11.js\n--rw-r--r--   0 root         (0) root         (0)   100813 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_12.js\n--rw-r--r--   0 root         (0) root         (0)   181643 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_13.js\n+-rw-r--r--   0 root         (0) root         (0)   101062 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_12.js\n+-rw-r--r--   0 root         (0) root         (0)   181655 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_13.js\n -rw-r--r--   0 root         (0) root         (0)     7829 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_14.js\n -rw-r--r--   0 root         (0) root         (0)   118793 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_15.js\n--rw-r--r--   0 root         (0) root         (0)   293813 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_16.js\n+-rw-r--r--   0 root         (0) root         (0)   293723 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_16.js\n -rw-r--r--   0 root         (0) root         (0)   103425 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_17.js\n -rw-r--r--   0 root         (0) root         (0)    32889 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_18.js\n -rw-r--r--   0 root         (0) root         (0)    30659 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_19.js\n -rw-r--r--   0 root         (0) root         (0)    29292 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_1a.js\n -rw-r--r--   0 root         (0) root         (0)    18491 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_1b.js\n -rw-r--r--   0 root         (0) root         (0)     1912 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_1c.js\n -rw-r--r--   0 root         (0) root         (0)     1847 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_1d.js\n -rw-r--r--   0 root         (0) root         (0)    11233 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_1e.js\n -rw-r--r--   0 root         (0) root         (0)      209 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_2.js\n -rw-r--r--   0 root         (0) root         (0)    40630 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_3.js\n -rw-r--r--   0 root         (0) root         (0)   148755 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_4.js\n--rw-r--r--   0 root         (0) root         (0)    74738 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_5.js\n--rw-r--r--   0 root         (0) root         (0)   276265 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_6.js\n--rw-r--r--   0 root         (0) root         (0)   139901 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_7.js\n--rw-r--r--   0 root         (0) root         (0)   137759 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_8.js\n+-rw-r--r--   0 root         (0) root         (0)    74772 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_5.js\n+-rw-r--r--   0 root         (0) root         (0)   276167 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_6.js\n+-rw-r--r--   0 root         (0) root         (0)   139971 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_7.js\n+-rw-r--r--   0 root         (0) root         (0)   137968 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_8.js\n -rw-r--r--   0 root         (0) root         (0)   128925 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_9.js\n -rw-r--r--   0 root         (0) root         (0)   272504 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_a.js\n -rw-r--r--   0 root         (0) root         (0)    43191 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_b.js\n -rw-r--r--   0 root         (0) root         (0)   153214 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_c.js\n -rw-r--r--   0 root         (0) root         (0)     2423 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_d.js\n -rw-r--r--   0 root         (0) root         (0)    11123 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_e.js\n -rw-r--r--   0 root         (0) root         (0)    58582 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/search/all_f.js\n@@ -10976,15 +10976,15 @@\n -rw-r--r--   0 root         (0) root         (0)     9481 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/timeunitmanager_8cpp.xhtml\n -rw-r--r--   0 root         (0) root         (0)    51327 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/timeunitmanager_8cpp__incl.svg\n -rw-r--r--   0 root         (0) root         (0)     7626 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/timeunitmanager_8h.xhtml\n -rw-r--r--   0 root         (0) root         (0)    39605 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/timeunitmanager_8h__dep__incl.svg\n -rw-r--r--   0 root         (0) root         (0)     3443 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/timeunitmanager_8h__incl.svg\n -rw-r--r--   0 root         (0) root         (0)     7186 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/timing_8cpp.xhtml\n -rw-r--r--   0 root         (0) root         (0)    36816 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/timing_8cpp__incl.svg\n--rw-r--r--   0 root         (0) root         (0)   100349 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/todo.xhtml\n+-rw-r--r--   0 root         (0) root         (0)   100343 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/todo.xhtml\n -rw-r--r--   0 root         (0) root         (0)    14019 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/tools_2dump_8cpp.xhtml\n -rw-r--r--   0 root         (0) root         (0)    71734 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/tools_2dump_8cpp__incl.svg\n -rw-r--r--   0 root         (0) root         (0)     5784 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/tools_2tests_2dump_8cpp.xhtml\n -rw-r--r--   0 root         (0) root         (0)    29125 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/tools_2tests_2dump_8cpp__incl.svg\n -rw-r--r--   0 root         (0) root         (0)     6091 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/topologyhelpers_8cpp.xhtml\n -rw-r--r--   0 root         (0) root         (0)     8921 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/topologyhelpers_8cpp__incl.svg\n -rw-r--r--   0 root         (0) root         (0)     5433 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-full/topologyhelpers_8h.xhtml\n@@ -13188,15 +13188,15 @@\n -rw-r--r--   0 root         (0) root         (0)    46761 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_10.js\n -rw-r--r--   0 root         (0) root         (0)    72697 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_11.js\n -rw-r--r--   0 root         (0) root         (0)    69228 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_12.js\n -rw-r--r--   0 root         (0) root         (0)     1412 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_13.js\n -rw-r--r--   0 root         (0) root         (0)    54380 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_14.js\n -rw-r--r--   0 root         (0) root         (0)   132293 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_15.js\n -rw-r--r--   0 root         (0) root         (0)    47529 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_16.js\n--rw-r--r--   0 root         (0) root         (0)    17542 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_17.js\n+-rw-r--r--   0 root         (0) root         (0)    17519 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_17.js\n -rw-r--r--   0 root         (0) root         (0)    14423 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_18.js\n -rw-r--r--   0 root         (0) root         (0)    11042 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_19.js\n -rw-r--r--   0 root         (0) root         (0)    11783 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_1a.js\n -rw-r--r--   0 root         (0) root         (0)     1554 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_1b.js\n -rw-r--r--   0 root         (0) root         (0)      402 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_1c.js\n -rw-r--r--   0 root         (0) root         (0)     5778 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_1d.js\n -rw-r--r--   0 root         (0) root         (0)     1267 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_2.js\n@@ -14628,15 +14628,15 @@\n -rw-r--r--   0 root         (0) root         (0)    28008 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_10.js\n -rw-r--r--   0 root         (0) root         (0)    34554 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_11.js\n -rw-r--r--   0 root         (0) root         (0)    36704 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_12.js\n -rw-r--r--   0 root         (0) root         (0)      351 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_13.js\n -rw-r--r--   0 root         (0) root         (0)    29528 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_14.js\n -rw-r--r--   0 root         (0) root         (0)    74022 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_15.js\n -rw-r--r--   0 root         (0) root         (0)    21176 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_16.js\n--rw-r--r--   0 root         (0) root         (0)     7088 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_17.js\n+-rw-r--r--   0 root         (0) root         (0)     7128 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_17.js\n -rw-r--r--   0 root         (0) root         (0)     8573 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_18.js\n -rw-r--r--   0 root         (0) root         (0)     5070 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_19.js\n -rw-r--r--   0 root         (0) root         (0)     2337 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_1a.js\n -rw-r--r--   0 root         (0) root         (0)      954 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_1b.js\n -rw-r--r--   0 root         (0) root         (0)     2677 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_1d.js\n -rw-r--r--   0 root         (0) root         (0)     1144 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_2.js\n -rw-r--r--   0 root         (0) root         (0)    47122 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/html-user/search/all_3.js\n@@ -17279,15 +17279,15 @@\n -rw-r--r--   0 root         (0) root         (0)     1697 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/impl__reference__simd4__float_8h.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     2009 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/impl__reference__simd__double_8h.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     1837 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/impl__reference__simd__float_8h.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     1886 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/impl__reference__util__double_8h.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     1690 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/impl__reference__util__float_8h.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     4657 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/include_2gromacs_2simd_2simd_8h.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     3225 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/include_2gromacs_2utility_2bitmask_8h.xml.gz\n--rw-r--r--   0 root         (0) root         (0)   994921 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/index.xml.gz\n+-rw-r--r--   0 root         (0) root         (0)   994295 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/index.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     2648 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/index.xsd\n -rw-r--r--   0 root         (0) root         (0)     4777 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/index_8cpp.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     3525 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/index_8h.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     1786 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/indexpage.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     9086 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/indexutil_8cpp.xml.gz\n -rw-r--r--   0 root         (0) root         (0)    12250 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/indexutil_8h.xml.gz\n -rw-r--r--   0 root         (0) root         (0)      943 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/init_8cpp.xml.gz\n@@ -19840,15 +19840,15 @@\n -rw-r--r--   0 root         (0) root         (0)     1945 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/timecontrol_8cpp.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     1822 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/timecontrol_8h.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     1565 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/timeunitmanager_8cpp.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     1421 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/timeunitmanager_8h.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     1357 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/timing_8cpp.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     5030 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/tngio_8cpp.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     4445 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/tngio_8h.xml.gz\n--rw-r--r--   0 root         (0) root         (0)    26897 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/todo.xml.gz\n+-rw-r--r--   0 root         (0) root         (0)    26893 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/todo.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     1997 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/tomorse_8cpp.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     2092 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/tomorse_8h.xml\n -rw-r--r--   0 root         (0) root         (0)     2307 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/tools_2dump_8cpp.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     3173 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/tools_2dump_8h.xml\n -rw-r--r--   0 root         (0) root         (0)     1208 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/tools_2tests_2dump_8cpp.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     2540 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/topdirs_8cpp.xml.gz\n -rw-r--r--   0 root         (0) root         (0)     2792 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/doxygen/xml/topdirs_8h.xml.gz\n@@ -20022,15 +20022,15 @@\n -rw-r--r--   0 root         (0) root         (0)   100398 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/how-to/special.html\n -rw-r--r--   0 root         (0) root         (0)    88293 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/how-to/topology.html\n -rw-r--r--   0 root         (0) root         (0)    88846 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/how-to/visualize.html\n -rw-r--r--   0 root         (0) root         (0)    73454 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/index.html\n drwxr-xr-x   0 root         (0) root         (0)        0 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/install-guide/\n -rw-r--r--   0 root         (0) root         (0)    86131 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/install-guide/exotic.html\n -rw-r--r--   0 root         (0) root         (0)   211298 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/install-guide/index.html\n--rw-r--r--   0 root         (0) root         (0) 13739248 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/manual-2025.0-beta-Debian_2025.0~beta_1.pdf\n+-rw-r--r--   0 root         (0) root         (0) 13739245 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/manual-2025.0-beta-Debian_2025.0~beta_1.pdf\n drwxr-xr-x   0 root         (0) root         (0)        0 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/nblib/\n -rw-r--r--   0 root         (0) root         (0)   130268 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/nblib/guide-to-writing-MD-programs.html\n -rw-r--r--   0 root         (0) root         (0)    74484 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/nblib/index.html\n -rw-r--r--   0 root         (0) root         (0)    26334 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/objects.inv\n drwxr-xr-x   0 root         (0) root         (0)        0 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/onlinehelp/\n -rw-r--r--   0 root         (0) root         (0)    93788 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/onlinehelp/gmx-anaeig.html\n -rw-r--r--   0 root         (0) root         (0)    89147 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/onlinehelp/gmx-analyze.html\n@@ -20371,15 +20371,15 @@\n -rw-r--r--   0 root         (0) root         (0)    75694 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/release-notes/2025/major/portability.html\n -rw-r--r--   0 root         (0) root         (0)    73348 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/release-notes/2025/major/removed-functionality.html\n -rw-r--r--   0 root         (0) root         (0)    79890 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/release-notes/2025/major/tools.html\n -rw-r--r--   0 root         (0) root         (0)    96034 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/release-notes/index.html\n drwxr-xr-x   0 root         (0) root         (0)        0 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/release-notes/older/\n -rw-r--r--   0 root         (0) root         (0)    73736 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/release-notes/older/index.html\n -rw-r--r--   0 root         (0) root         (0)    70657 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/search.html\n--rw-r--r--   0 root         (0) root         (0)  1279979 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/searchindex.js\n+-rw-r--r--   0 root         (0) root         (0)  1279893 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/searchindex.js\n drwxr-xr-x   0 root         (0) root         (0)        0 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/user-guide/\n -rw-r--r--   0 root         (0) root         (0)   156279 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/user-guide/cmdline.html\n -rw-r--r--   0 root         (0) root         (0)    74662 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/user-guide/deprecation-policy.html\n -rw-r--r--   0 root         (0) root         (0)   114892 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/user-guide/environment-variables.html\n -rw-r--r--   0 root         (0) root         (0)    92898 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/user-guide/faq.html\n -rw-r--r--   0 root         (0) root         (0)    75595 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/user-guide/floating-point.html\n -rw-r--r--   0 root         (0) root         (0)    81948 2024-12-07 17:05:28.000000 ./usr/share/doc/gromacs/html/user-guide/flow.html\n"}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/dot_module-deps.svg", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/dot_module-deps.svg", "has_internal_linenos": true, "unified_diff": "@@ -10,10378 +10,10173 @@\n 00000090: 7667 3131 2e64 7464 223e 0a3c 212d 2d20  vg11.dtd\">.<!-- \n 000000a0: 4765 6e65 7261 7465 6420 6279 2067 7261  Generated by gra\n 000000b0: 7068 7669 7a20 7665 7273 696f 6e20 322e  phviz version 2.\n 000000c0: 3432 2e34 2028 3029 0a20 2d2d 3e0a 3c21  42.4 (0). -->.<!\n 000000d0: 2d2d 2054 6974 6c65 3a20 696e 636c 7564  -- Title: includ\n 000000e0: 6564 6570 7320 5061 6765 733a 2031 202d  edeps Pages: 1 -\n 000000f0: 2d3e 0a3c 7376 6720 7769 6474 683d 2232  ->.<svg width=\"2\n-00000100: 3830 3870 7422 2068 6569 6768 743d 2231  808pt\" height=\"1\n-00000110: 3238 3470 7422 0a20 7669 6577 426f 783d  284pt\". viewBox=\n-00000120: 2230 2e30 3020 302e 3030 2032 3830 382e  \"0.00 0.00 2808.\n-00000130: 3030 2031 3238 342e 3430 2220 786d 6c6e  00 1284.40\" xmln\n+00000100: 3831 3970 7422 2068 6569 6768 743d 2231  819pt\" height=\"1\n+00000110: 3334 3770 7422 0a20 7669 6577 426f 783d  347pt\". viewBox=\n+00000120: 2230 2e30 3020 302e 3030 2032 3831 392e  \"0.00 0.00 2819.\n+00000130: 3030 2031 3334 372e 3237 2220 786d 6c6e  00 1347.27\" xmln\n 00000140: 733d 2268 7474 703a 2f2f 7777 772e 7733  s=\"http://www.w3\n 00000150: 2e6f 7267 2f32 3030 302f 7376 6722 2078  .org/2000/svg\" x\n 00000160: 6d6c 6e73 3a78 6c69 6e6b 3d22 6874 7470  mlns:xlink=\"http\n 00000170: 3a2f 2f77 7777 2e77 332e 6f72 672f 3139  ://www.w3.org/19\n 00000180: 3939 2f78 6c69 6e6b 223e 0a3c 6720 6964  99/xlink\">.<g id\n 00000190: 3d22 6772 6170 6830 2220 636c 6173 733d  =\"graph0\" class=\n 000001a0: 2267 7261 7068 2220 7472 616e 7366 6f72  \"graph\" transfor\n 000001b0: 6d3d 2273 6361 6c65 2831 2031 2920 726f  m=\"scale(1 1) ro\n 000001c0: 7461 7465 2830 2920 7472 616e 736c 6174  tate(0) translat\n-000001d0: 6528 3420 3132 3830 2e34 2922 3e0a 3c74  e(4 1280.4)\">.<t\n-000001e0: 6974 6c65 3e69 6e63 6c75 6465 6465 7073  itle>includedeps\n-000001f0: 3c2f 7469 746c 653e 0a3c 706f 6c79 676f  </title>.<polygo\n-00000200: 6e20 6669 6c6c 3d22 7768 6974 6522 2073  n fill=\"white\" s\n-00000210: 7472 6f6b 653d 2274 7261 6e73 7061 7265  troke=\"transpare\n-00000220: 6e74 2220 706f 696e 7473 3d22 2d34 2c34  nt\" points=\"-4,4\n-00000230: 202d 342c 2d31 3238 302e 3420 3238 3034   -4,-1280.4 2804\n-00000240: 2c2d 3132 3830 2e34 2032 3830 342c 3420  ,-1280.4 2804,4 \n-00000250: 2d34 2c34 222f 3e0a 3c67 2069 643d 2263  -4,4\"/>.<g id=\"c\n-00000260: 6c75 7374 3122 2063 6c61 7373 3d22 636c  lust1\" class=\"cl\n-00000270: 7573 7465 7222 3e0a 3c74 6974 6c65 3e63  uster\">.<title>c\n-00000280: 6c75 7374 6572 5f6c 6962 6772 6f6d 6163  luster_libgromac\n-00000290: 733c 2f74 6974 6c65 3e0a 3c70 6f6c 7967  s</title>.<polyg\n-000002a0: 6f6e 2066 696c 6c3d 226e 6f6e 6522 2073  on fill=\"none\" s\n-000002b0: 7472 6f6b 653d 2262 6c61 636b 2220 706f  troke=\"black\" po\n-000002c0: 696e 7473 3d22 382c 2d38 2038 2c2d 3132  ints=\"8,-8 8,-12\n-000002d0: 3638 2e34 2032 3430 302c 2d31 3236 382e  68.4 2400,-1268.\n-000002e0: 3420 3234 3030 2c2d 3820 382c 2d38 222f  4 2400,-8 8,-8\"/\n-000002f0: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63  >.<text text-anc\n-00000300: 686f 723d 226d 6964 646c 6522 2078 3d22  hor=\"middle\" x=\"\n-00000310: 3132 3034 2220 793d 222d 3132 3533 2e32  1204\" y=\"-1253.2\n-00000320: 2220 666f 6e74 2d66 616d 696c 793d 2254  \" font-family=\"T\n-00000330: 696d 6573 2c73 6572 6966 2220 666f 6e74  imes,serif\" font\n-00000340: 2d73 697a 653d 2231 342e 3030 223e 6c69  -size=\"14.00\">li\n-00000350: 6267 726f 6d61 6373 3c2f 7465 7874 3e0a  bgromacs</text>.\n-00000360: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00000370: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472  _src_gromacs_mdr\n-00000380: 756e 202d 2d3e 0a3c 6720 6964 3d22 6e6f  un -->.<g id=\"no\n-00000390: 6465 3122 2063 6c61 7373 3d22 6e6f 6465  de1\" class=\"node\n-000003a0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-000003b0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472  _src_gromacs_mdr\n-000003c0: 756e 3c2f 7469 746c 653e 0a3c 6720 6964  un</title>.<g id\n-000003d0: 3d22 615f 6e6f 6465 3122 3e3c 6120 786c  =\"a_node1\"><a xl\n-000003e0: 696e 6b3a 6872 6566 3d22 6772 6f75 705f  ink:href=\"group_\n-000003f0: 5f6d 6f64 756c 655f 5f6d 6472 756e 2e78  _module__mdrun.x\n-00000400: 6874 6d6c 2220 7461 7267 6574 3d22 5f74  html\" target=\"_t\n-00000410: 6f70 2220 786c 696e 6b3a 7469 746c 653d  op\" xlink:title=\n-00000420: 226d 6472 756e 223e 0a3c 656c 6c69 7073  \"mdrun\">.<ellips\n-00000430: 6520 6669 6c6c 3d22 2365 3563 6366 6622  e fill=\"#e5ccff\"\n-00000440: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n-00000450: 6378 3d22 3834 3922 2063 793d 222d 3130  cx=\"849\" cy=\"-10\n-00000460: 3938 2e32 3322 2072 783d 2233 312e 3233  98.23\" rx=\"31.23\n-00000470: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c  \" ry=\"13.37\"/>.<\n-00000480: 7465 7874 2074 6578 742d 616e 6368 6f72  text text-anchor\n-00000490: 3d22 6d69 6464 6c65 2220 783d 2238 3439  =\"middle\" x=\"849\n-000004a0: 2220 793d 222d 3130 3935 2e37 3322 2066  \" y=\"-1095.73\" f\n-000004b0: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565  ont-family=\"Free\n-000004c0: 5361 6e73 2220 666f 6e74 2d73 697a 653d  Sans\" font-size=\n-000004d0: 2231 302e 3030 223e 6d64 7275 6e3c 2f74  \"10.00\">mdrun</t\n-000004e0: 6578 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c  ext>.</a>.</g>.<\n-000004f0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-00000500: 7372 635f 6772 6f6d 6163 735f 6170 706c  src_gromacs_appl\n-00000510: 6965 645f 666f 7263 6573 202d 2d3e 0a3c  ied_forces -->.<\n-00000520: 6720 6964 3d22 6e6f 6465 3222 2063 6c61  g id=\"node2\" cla\n-00000530: 7373 3d22 6e6f 6465 223e 0a3c 7469 746c  ss=\"node\">.<titl\n-00000540: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00000550: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n-00000560: 6365 733c 2f74 6974 6c65 3e0a 3c65 6c6c  ces</title>.<ell\n-00000570: 6970 7365 2066 696c 6c3d 2223 6266 6266  ipse fill=\"#bfbf\n-00000580: 6266 2220 7374 726f 6b65 3d22 626c 6163  bf\" stroke=\"blac\n-00000590: 6b22 2063 783d 2232 3831 2220 6379 3d22  k\" cx=\"281\" cy=\"\n-000005a0: 2d31 3033 352e 3336 2220 7278 3d22 3536  -1035.36\" rx=\"56\n-000005b0: 2e36 3422 2072 793d 2231 332e 3337 222f  .64\" ry=\"13.37\"/\n-000005c0: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63  >.<text text-anc\n-000005d0: 686f 723d 226d 6964 646c 6522 2078 3d22  hor=\"middle\" x=\"\n-000005e0: 3238 3122 2079 3d22 2d31 3033 322e 3836  281\" y=\"-1032.86\n-000005f0: 2220 666f 6e74 2d66 616d 696c 793d 2246  \" font-family=\"F\n-00000600: 7265 6553 616e 7322 2066 6f6e 742d 7369  reeSans\" font-si\n-00000610: 7a65 3d22 3130 2e30 3022 3e61 7070 6c69  ze=\"10.00\">appli\n-00000620: 6564 5f66 6f72 6365 733c 2f74 6578 743e  ed_forces</text>\n-00000630: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00000640: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00000650: 7275 6e26 2334 353b 2667 743b 6d6f 6475  run&#45;&gt;modu\n-00000660: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61  le_src_gromacs_a\n-00000670: 7070 6c69 6564 5f66 6f72 6365 7320 2d2d  pplied_forces --\n-00000680: 3e0a 3c67 2069 643d 2265 6467 6531 3722  >.<g id=\"edge17\"\n-00000690: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-000006a0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-000006b0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n-000006c0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-000006d0: 635f 6772 6f6d 6163 735f 6170 706c 6965  c_gromacs_applie\n-000006e0: 645f 666f 7263 6573 3c2f 7469 746c 653e  d_forces</title>\n-000006f0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-00000700: 6522 2073 7472 6f6b 653d 2272 6564 2220  e\" stroke=\"red\" \n-00000710: 643d 224d 3831 382e 3635 2c2d 3130 3935  d=\"M818.65,-1095\n-00000720: 2e30 3843 3734 302e 3837 2c2d 3130 3839  .08C740.87,-1089\n-00000730: 2e34 2035 3238 2e31 2c2d 3130 3732 2e37  .4 528.1,-1072.7\n-00000740: 3620 3335 322c 2d31 3034 382e 3739 2033  6 352,-1048.79 3\n-00000750: 3436 2e30 342c 2d31 3034 372e 3938 2033  46.04,-1047.98 3\n-00000760: 3339 2e38 322c 2d31 3034 372e 3034 2033  39.82,-1047.04 3\n-00000770: 3333 2e36 342c 2d31 3034 362e 3034 222f  33.64,-1046.04\"/\n-00000780: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00000790: 2272 6564 2220 7374 726f 6b65 3d22 7265  \"red\" stroke=\"re\n-000007a0: 6422 2070 6f69 6e74 733d 2233 3333 2e37  d\" points=\"333.7\n-000007b0: 382c 2d31 3034 322e 3531 2033 3233 2e33  8,-1042.51 323.3\n-000007c0: 342c 2d31 3034 342e 3332 2033 3332 2e36  4,-1044.32 332.6\n-000007d0: 332c 2d31 3034 392e 3432 2033 3333 2e37  3,-1049.42 333.7\n-000007e0: 382c 2d31 3034 322e 3531 222f 3e0a 3c2f  8,-1042.51\"/>.</\n-000007f0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00000800: 7263 5f67 726f 6d61 6373 5f72 6573 7472  rc_gromacs_restr\n-00000810: 6169 6e74 202d 2d3e 0a3c 6720 6964 3d22  aint -->.<g id=\"\n-00000820: 6e6f 6465 3322 2063 6c61 7373 3d22 6e6f  node3\" class=\"no\n-00000830: 6465 223e 0a3c 7469 746c 653e 6d6f 6475  de\">.<title>modu\n-00000840: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72  le_src_gromacs_r\n-00000850: 6573 7472 6169 6e74 3c2f 7469 746c 653e  estraint</title>\n-00000860: 0a3c 6720 6964 3d22 615f 6e6f 6465 3322  .<g id=\"a_node3\"\n-00000870: 3e3c 6120 786c 696e 6b3a 6872 6566 3d22  ><a xlink:href=\"\n-00000880: 6772 6f75 705f 5f6d 6f64 756c 655f 5f72  group__module__r\n-00000890: 6573 7472 6169 6e74 2e78 6874 6d6c 2220  estraint.xhtml\" \n-000008a0: 7461 7267 6574 3d22 5f74 6f70 2220 786c  target=\"_top\" xl\n-000008b0: 696e 6b3a 7469 746c 653d 2272 6573 7472  ink:title=\"restr\n-000008c0: 6169 6e74 223e 0a3c 656c 6c69 7073 6520  aint\">.<ellipse \n-000008d0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-000008e0: 6b65 3d22 626c 6163 6b22 2063 783d 2237  ke=\"black\" cx=\"7\n-000008f0: 3833 2220 6379 3d22 2d31 3033 352e 3336  83\" cy=\"-1035.36\n-00000900: 2220 7278 3d22 3336 2e35 3422 2072 793d  \" rx=\"36.54\" ry=\n-00000910: 2231 332e 3337 222f 3e0a 3c74 6578 7420  \"13.37\"/>.<text \n-00000920: 7465 7874 2d61 6e63 686f 723d 226d 6964  text-anchor=\"mid\n-00000930: 646c 6522 2078 3d22 3738 3322 2079 3d22  dle\" x=\"783\" y=\"\n-00000940: 2d31 3033 322e 3836 2220 666f 6e74 2d66  -1032.86\" font-f\n-00000950: 616d 696c 793d 2246 7265 6553 616e 7322  amily=\"FreeSans\"\n-00000960: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30   font-size=\"10.0\n-00000970: 3022 3e72 6573 7472 6169 6e74 3c2f 7465  0\">restraint</te\n-00000980: 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f  xt>.</a>.</g>.</\n-00000990: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-000009a0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n-000009b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-000009c0: 7372 635f 6772 6f6d 6163 735f 7265 7374  src_gromacs_rest\n-000009d0: 7261 696e 7420 2d2d 3e0a 3c67 2069 643d  raint -->.<g id=\n-000009e0: 2265 6467 6532 3422 2063 6c61 7373 3d22  \"edge24\" class=\"\n-000009f0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-00000a00: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00000a10: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d  _mdrun&#45;&gt;m\n-00000a20: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00000a30: 735f 7265 7374 7261 696e 743c 2f74 6974  s_restraint</tit\n-00000a40: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-00000a50: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n-00000a60: 3832 6663 6322 2073 7472 6f6b 652d 6461  82fcc\" stroke-da\n-00000a70: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n-00000a80: 224d 3833 362e 3539 2c2d 3130 3835 2e37  \"M836.59,-1085.7\n-00000a90: 3843 3832 372e 3231 2c2d 3130 3737 2e31  8C827.21,-1077.1\n-00000aa0: 3320 3831 342e 3135 2c2d 3130 3635 2e30  3 814.15,-1065.0\n-00000ab0: 3820 3830 332e 3236 2c2d 3130 3535 2e30  8 803.26,-1055.0\n-00000ac0: 3422 2f3e 0a3c 706f 6c79 676f 6e20 6669  4\"/>.<polygon fi\n-00000ad0: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n-00000ae0: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n-00000af0: 696e 7473 3d22 3830 352e 3533 2c2d 3130  ints=\"805.53,-10\n-00000b00: 3532 2e33 3820 3739 352e 3831 2c2d 3130  52.38 795.81,-10\n-00000b10: 3438 2e31 3720 3830 302e 3739 2c2d 3130  48.17 800.79,-10\n-00000b20: 3537 2e35 3220 3830 352e 3533 2c2d 3130  57.52 805.53,-10\n-00000b30: 3532 2e33 3822 2f3e 0a3c 2f67 3e0a 3c21  52.38\"/>.</g>.<!\n-00000b40: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00000b50: 6f6d 6163 735f 6d69 6d69 6320 2d2d 3e0a  omacs_mimic -->.\n-00000b60: 3c67 2069 643d 226e 6f64 6536 2220 636c  <g id=\"node6\" cl\n-00000b70: 6173 733d 226e 6f64 6522 3e0a 3c74 6974  ass=\"node\">.<tit\n-00000b80: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00000b90: 6f6d 6163 735f 6d69 6d69 633c 2f74 6974  omacs_mimic</tit\n-00000ba0: 6c65 3e0a 3c65 6c6c 6970 7365 2066 696c  le>.<ellipse fil\n-00000bb0: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n-00000bc0: 6b65 3d22 626c 6163 6b22 2063 783d 2231  ke=\"black\" cx=\"1\n-00000bd0: 3035 3022 2063 793d 222d 3930 392e 3632  050\" cy=\"-909.62\n-00000be0: 2220 7278 3d22 3330 2e33 3122 2072 793d  \" rx=\"30.31\" ry=\n-00000bf0: 2231 332e 3337 222f 3e0a 3c74 6578 7420  \"13.37\"/>.<text \n-00000c00: 7465 7874 2d61 6e63 686f 723d 226d 6964  text-anchor=\"mid\n-00000c10: 646c 6522 2078 3d22 3130 3530 2220 793d  dle\" x=\"1050\" y=\n-00000c20: 222d 3930 372e 3132 2220 666f 6e74 2d66  \"-907.12\" font-f\n-00000c30: 616d 696c 793d 2246 7265 6553 616e 7322  amily=\"FreeSans\"\n-00000c40: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30   font-size=\"10.0\n-00000c50: 3022 3e6d 696d 6963 3c2f 7465 7874 3e0a  0\">mimic</text>.\n-00000c60: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00000c70: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472  _src_gromacs_mdr\n-00000c80: 756e 2623 3435 3b26 6774 3b6d 6f64 756c  un&#45;&gt;modul\n-00000c90: 655f 7372 635f 6772 6f6d 6163 735f 6d69  e_src_gromacs_mi\n-00000ca0: 6d69 6320 2d2d 3e0a 3c67 2069 643d 2265  mic -->.<g id=\"e\n-00000cb0: 6467 6531 3522 2063 6c61 7373 3d22 6564  dge15\" class=\"ed\n-00000cc0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-00000cd0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-00000ce0: 6472 756e 2623 3435 3b26 6774 3b6d 6f64  drun&#45;&gt;mod\n-00000cf0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00000d00: 6d69 6d69 633c 2f74 6974 6c65 3e0a 3c70  mimic</title>.<p\n-00000d10: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00000d20: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-00000d30: 2064 3d22 4d38 3532 2e39 312c 2d31 3038   d=\"M852.91,-108\n-00000d40: 342e 3732 4338 3633 2e34 322c 2d31 3035  4.72C863.42,-105\n-00000d50: 312e 3133 2038 3931 2e36 362c 2d39 3631  1.13 891.66,-961\n-00000d60: 2e33 3520 3839 342c 2d39 3539 2e30 3520  .35 894,-959.05 \n-00000d70: 3839 382e 3435 2c2d 3935 342e 3636 2039  898.45,-954.66 9\n-00000d80: 3730 2e37 332c 2d39 3333 2e33 3520 3130  70.73,-933.35 10\n-00000d90: 3135 2e33 322c 2d39 3230 2e35 3122 2f3e  15.32,-920.51\"/>\n-00000da0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-00000db0: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n-00000dc0: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n-00000dd0: 3d22 3130 3136 2e35 352c 2d39 3233 2e38  =\"1016.55,-923.8\n-00000de0: 2031 3032 352e 322c 2d39 3137 2e36 3720   1025.2,-917.67 \n-00000df0: 3130 3134 2e36 322c 2d39 3137 2e30 3720  1014.62,-917.07 \n-00000e00: 3130 3136 2e35 352c 2d39 3233 2e38 222f  1016.55,-923.8\"/\n-00000e10: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00000e20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n-00000e30: 7373 656e 7469 616c 6479 6e61 6d69 6373  ssentialdynamics\n-00000e40: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465   -->.<g id=\"node\n-00000e50: 3130 2220 636c 6173 733d 226e 6f64 6522  10\" class=\"node\"\n-00000e60: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00000e70: 7372 635f 6772 6f6d 6163 735f 6573 7365  src_gromacs_esse\n-00000e80: 6e74 6961 6c64 796e 616d 6963 733c 2f74  ntialdynamics</t\n-00000e90: 6974 6c65 3e0a 3c65 6c6c 6970 7365 2066  itle>.<ellipse f\n-00000ea0: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n-00000eb0: 726f 6b65 3d22 626c 6163 6b22 2063 783d  roke=\"black\" cx=\n-00000ec0: 2231 3335 3422 2063 793d 222d 3135 352e  \"1354\" cy=\"-155.\n-00000ed0: 3138 2220 7278 3d22 3639 2e30 3922 2072  18\" rx=\"69.09\" r\n-00000ee0: 793d 2231 332e 3337 222f 3e0a 3c74 6578  y=\"13.37\"/>.<tex\n-00000ef0: 7420 7465 7874 2d61 6e63 686f 723d 226d  t text-anchor=\"m\n-00000f00: 6964 646c 6522 2078 3d22 3133 3534 2220  iddle\" x=\"1354\" \n-00000f10: 793d 222d 3135 322e 3638 2220 666f 6e74  y=\"-152.68\" font\n-00000f20: 2d66 616d 696c 793d 2246 7265 6553 616e  -family=\"FreeSan\n-00000f30: 7322 2066 6f6e 742d 7369 7a65 3d22 3130  s\" font-size=\"10\n-00000f40: 2e30 3022 3e65 7373 656e 7469 616c 6479  .00\">essentialdy\n-00000f50: 6e61 6d69 6373 3c2f 7465 7874 3e0a 3c2f  namics</text>.</\n-00000f60: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00000f70: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n-00000f80: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00000f90: 7372 635f 6772 6f6d 6163 735f 6573 7365  src_gromacs_esse\n-00000fa0: 6e74 6961 6c64 796e 616d 6963 7320 2d2d  ntialdynamics --\n-00000fb0: 3e0a 3c67 2069 643d 2265 6467 6538 2220  >.<g id=\"edge8\" \n-00000fc0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-00000fd0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00000fe0: 6772 6f6d 6163 735f 6d64 7275 6e26 2334  gromacs_mdrun&#4\n-00000ff0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00001000: 5f67 726f 6d61 6373 5f65 7373 656e 7469  _gromacs_essenti\n-00001010: 616c 6479 6e61 6d69 6373 3c2f 7469 746c  aldynamics</titl\n-00001020: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00001030: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n-00001040: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n-00001050: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n-00001060: 4d38 3738 2e34 342c 2d31 3039 332e 3539  M878.44,-1093.59\n-00001070: 4339 3133 2e31 312c 2d31 3038 382e 3233  C913.11,-1088.23\n-00001080: 2039 3731 2e33 362c 2d31 3037 352e 3737   971.36,-1075.77\n-00001090: 2031 3031 342c 2d31 3034 382e 3739 2031   1014,-1048.79 1\n-000010a0: 3033 362e 3538 2c2d 3130 3334 2e35 3120  036.58,-1034.51 \n-000010b0: 3130 3730 2e38 392c 2d39 3732 2e34 3620  1070.89,-972.46 \n-000010c0: 3130 3934 2c2d 3935 392e 3035 2031 3136  1094,-959.05 116\n-000010d0: 302e 382c 2d39 3230 2e32 3920 3131 3935  0.8,-920.29 1195\n-000010e0: 2e31 332c 2d39 3538 2031 3236 342c 2d39  .13,-958 1264,-9\n-000010f0: 3233 2e30 3520 3132 3739 2e39 362c 2d39  23.05 1279.96,-9\n-00001100: 3134 2e39 3520 3132 3830 2e32 382c 2d39  14.95 1280.28,-9\n-00001110: 3037 2e36 3720 3132 3934 2c2d 3839 362e  07.67 1294,-896.\n-00001120: 3138 2031 3331 332e 392c 2d38 3739 2e35  18 1313.9,-879.5\n-00001130: 3120 3133 3232 2e33 342c 2d38 3739 2e32  1 1322.34,-879.2\n-00001140: 3120 3133 3430 2c2d 3836 302e 3138 2031  1 1340,-860.18 1\n-00001150: 3336 322e 3835 2c2d 3833 352e 3534 2031  362.85,-835.54 1\n-00001160: 3336 352e 3032 2c2d 3832 362e 3331 2031  365.02,-826.31 1\n-00001170: 3338 322c 2d37 3937 2e33 3120 3134 3539  382,-797.31 1459\n-00001180: 2e35 2c2d 3636 3520 3134 3438 2e37 322c  .5,-665 1448.72,\n-00001190: 2d36 3038 2e36 3220 3134 3333 2c2d 3435  -608.62 1433,-45\n-000011a0: 362e 3039 2031 3432 312e 342c 2d33 3433  6.09 1421.4,-343\n-000011b0: 2e35 3120 3134 3338 2e39 322c 2d33 3038  .51 1438.92,-308\n-000011c0: 2e30 3520 3133 3933 2c2d 3230 342e 3631  .05 1393,-204.61\n-000011d0: 2031 3338 382e 342c 2d31 3934 2e32 3520   1388.4,-194.25 \n-000011e0: 3133 3831 2e30 312c 2d31 3834 2e32 3420  1381.01,-184.24 \n-000011f0: 3133 3733 2e39 2c2d 3137 362e 3034 222f  1373.9,-176.04\"/\n-00001200: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00001210: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-00001220: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n-00001230: 733d 2231 3337 362e 3332 2c2d 3137 332e  s=\"1376.32,-173.\n-00001240: 3520 3133 3636 2e39 392c 2d31 3638 2e34  5 1366.99,-168.4\n-00001250: 3920 3133 3731 2e31 362c 2d31 3738 2e32  9 1371.16,-178.2\n-00001260: 3320 3133 3736 2e33 322c 2d31 3733 2e35  3 1376.32,-173.5\n-00001270: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-00001280: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00001290: 5f6f 7074 696f 6e73 202d 2d3e 0a3c 6720  _options -->.<g \n-000012a0: 6964 3d22 6e6f 6465 3134 2220 636c 6173  id=\"node14\" clas\n-000012b0: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65  s=\"node\">.<title\n-000012c0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-000012d0: 6163 735f 6f70 7469 6f6e 733c 2f74 6974  acs_options</tit\n-000012e0: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64  le>.<g id=\"a_nod\n-000012f0: 6531 3422 3e3c 6120 786c 696e 6b3a 6872  e14\"><a xlink:hr\n-00001300: 6566 3d22 6772 6f75 705f 5f6d 6f64 756c  ef=\"group__modul\n-00001310: 655f 5f6f 7074 696f 6e73 2e78 6874 6d6c  e__options.xhtml\n-00001320: 2220 7461 7267 6574 3d22 5f74 6f70 2220  \" target=\"_top\" \n-00001330: 786c 696e 6b3a 7469 746c 653d 226f 7074  xlink:title=\"opt\n-00001340: 696f 6e73 223e 0a3c 656c 6c69 7073 6520  ions\">.<ellipse \n-00001350: 6669 6c6c 3d22 2366 6665 3463 6322 2073  fill=\"#ffe4cc\" s\n-00001360: 7472 6f6b 653d 2262 6c61 636b 2220 6378  troke=\"black\" cx\n-00001370: 3d22 3139 3034 2220 6379 3d22 2d32 392e  =\"1904\" cy=\"-29.\n-00001380: 3434 2220 7278 3d22 3333 2e38 3822 2072  44\" rx=\"33.88\" r\n-00001390: 793d 2231 332e 3337 222f 3e0a 3c74 6578  y=\"13.37\"/>.<tex\n-000013a0: 7420 7465 7874 2d61 6e63 686f 723d 226d  t text-anchor=\"m\n-000013b0: 6964 646c 6522 2078 3d22 3139 3034 2220  iddle\" x=\"1904\" \n-000013c0: 793d 222d 3236 2e39 3422 2066 6f6e 742d  y=\"-26.94\" font-\n-000013d0: 6661 6d69 6c79 3d22 4672 6565 5361 6e73  family=\"FreeSans\n-000013e0: 2220 666f 6e74 2d73 697a 653d 2231 302e  \" font-size=\"10.\n-000013f0: 3030 223e 6f70 7469 6f6e 733c 2f74 6578  00\">options</tex\n-00001400: 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67  t>.</a>.</g>.</g\n-00001410: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-00001420: 635f 6772 6f6d 6163 735f 6d64 7275 6e26  c_gromacs_mdrun&\n-00001430: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00001440: 7263 5f67 726f 6d61 6373 5f6f 7074 696f  rc_gromacs_optio\n-00001450: 6e73 202d 2d3e 0a3c 6720 6964 3d22 6564  ns -->.<g id=\"ed\n-00001460: 6765 3139 2220 636c 6173 733d 2265 6467  ge19\" class=\"edg\n-00001470: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00001480: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00001490: 7275 6e26 2334 353b 2667 743b 6d6f 6475  run&#45;&gt;modu\n-000014a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6f  le_src_gromacs_o\n-000014b0: 7074 696f 6e73 3c2f 7469 746c 653e 0a3c  ptions</title>.<\n-000014c0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-000014d0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-000014e0: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-000014f0: 6179 3d22 352c 3222 2064 3d22 4d38 3137  ay=\"5,2\" d=\"M817\n-00001500: 2e37 322c 2d31 3039 372e 3433 4336 3831  .72,-1097.43C681\n-00001510: 2e38 352c 2d31 3039 382e 3031 2031 3437  .85,-1098.01 147\n-00001520: 2e33 2c2d 3130 3937 2e32 2039 322c 2d31  .3,-1097.2 92,-1\n-00001530: 3034 382e 3739 2036 362e 3332 2c2d 3130  048.79 66.32,-10\n-00001540: 3236 2e33 3120 3737 2c2d 3130 3037 2e36  26.31 77,-1007.6\n-00001550: 3120 3737 2c2d 3937 332e 3439 2037 372c  1 77,-973.49 77,\n-00001560: 2d39 3733 2e34 3920 3737 2c2d 3937 332e  -973.49 77,-973.\n-00001570: 3439 2037 372c 2d35 3331 2e34 2037 372c  49 77,-531.4 77,\n-00001580: 2d34 3230 2e31 3620 3937 2c2d 3339 332e  -420.16 97,-393.\n-00001590: 3135 2039 372c 2d32 3831 2e39 3220 3937  15 97,-281.92 97\n-000015a0: 2c2d 3238 312e 3932 2039 372c 2d32 3831  ,-281.92 97,-281\n-000015b0: 2e39 3220 3937 2c2d 3135 342e 3138 2039  .92 97,-154.18 9\n-000015c0: 372c 2d31 3033 2e37 2031 3335 2e30 372c  7,-103.7 135.07,\n-000015d0: 2d39 372e 3433 2031 3832 2c2d 3738 2e38  -97.43 182,-78.8\n-000015e0: 3720 3236 322e 3238 2c2d 3437 2e31 3220  7 262.28,-47.12 \n-000015f0: 3135 3938 2e39 2c2d 3333 2e32 3420 3138  1598.9,-33.24 18\n-00001600: 3539 2e39 382c 2d33 302e 3832 222f 3e0a  59.98,-30.82\"/>.\n-00001610: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-00001620: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n-00001630: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n-00001640: 2231 3836 302e 3234 2c2d 3334 2e33 3220  \"1860.24,-34.32 \n-00001650: 3138 3730 2e32 312c 2d33 302e 3733 2031  1870.21,-30.73 1\n-00001660: 3836 302e 3138 2c2d 3237 2e33 3220 3138  860.18,-27.32 18\n-00001670: 3630 2e32 342c 2d33 342e 3332 222f 3e0a  60.24,-34.32\"/>.\n-00001680: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00001690: 5f73 7263 5f67 726f 6d61 6373 5f74 6173  _src_gromacs_tas\n-000016a0: 6b61 7373 6967 6e6d 656e 7420 2d2d 3e0a  kassignment -->.\n-000016b0: 3c67 2069 643d 226e 6f64 6531 3622 2063  <g id=\"node16\" c\n-000016c0: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469  lass=\"node\">.<ti\n-000016d0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-000016e0: 726f 6d61 6373 5f74 6173 6b61 7373 6967  romacs_taskassig\n-000016f0: 6e6d 656e 743c 2f74 6974 6c65 3e0a 3c67  nment</title>.<g\n-00001700: 2069 643d 2261 5f6e 6f64 6531 3622 3e3c   id=\"a_node16\"><\n-00001710: 6120 786c 696e 6b3a 6872 6566 3d22 6772  a xlink:href=\"gr\n-00001720: 6f75 705f 5f6d 6f64 756c 655f 5f74 6173  oup__module__tas\n-00001730: 6b61 7373 6967 6e6d 656e 742e 7868 746d  kassignment.xhtm\n-00001740: 6c22 2074 6172 6765 743d 225f 746f 7022  l\" target=\"_top\"\n-00001750: 2078 6c69 6e6b 3a74 6974 6c65 3d22 7461   xlink:title=\"ta\n-00001760: 736b 6173 7369 676e 6d65 6e74 223e 0a3c  skassignment\">.<\n-00001770: 656c 6c69 7073 6520 6669 6c6c 3d22 2365  ellipse fill=\"#e\n-00001780: 3563 6366 6622 2073 7472 6f6b 653d 2262  5ccff\" stroke=\"b\n-00001790: 6c61 636b 2220 6378 3d22 3533 3922 2063  lack\" cx=\"539\" c\n-000017a0: 793d 222d 3738 332e 3838 2220 7278 3d22  y=\"-783.88\" rx=\"\n-000017b0: 3630 2e36 3222 2072 793d 2231 332e 3337  60.62\" ry=\"13.37\n-000017c0: 222f 3e0a 3c74 6578 7420 7465 7874 2d61  \"/>.<text text-a\n-000017d0: 6e63 686f 723d 226d 6964 646c 6522 2078  nchor=\"middle\" x\n-000017e0: 3d22 3533 3922 2079 3d22 2d37 3831 2e33  =\"539\" y=\"-781.3\n-000017f0: 3822 2066 6f6e 742d 6661 6d69 6c79 3d22  8\" font-family=\"\n-00001800: 4672 6565 5361 6e73 2220 666f 6e74 2d73  FreeSans\" font-s\n-00001810: 697a 653d 2231 302e 3030 223e 7461 736b  ize=\"10.00\">task\n-00001820: 6173 7369 676e 6d65 6e74 3c2f 7465 7874  assignment</text\n-00001830: 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e  >.</a>.</g>.</g>\n-00001840: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00001850: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n-00001860: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00001870: 635f 6772 6f6d 6163 735f 7461 736b 6173  c_gromacs_taskas\n-00001880: 7369 676e 6d65 6e74 202d 2d3e 0a3c 6720  signment -->.<g \n-00001890: 6964 3d22 6564 6765 3136 2220 636c 6173  id=\"edge16\" clas\n-000018a0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-000018b0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-000018c0: 6163 735f 6d64 7275 6e26 2334 353b 2667  acs_mdrun&#45;&g\n-000018d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-000018e0: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d  macs_taskassignm\n-000018f0: 656e 743c 2f74 6974 6c65 3e0a 3c70 6174  ent</title>.<pat\n-00001900: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00001910: 726f 6b65 3d22 7265 6422 2064 3d22 4d38  roke=\"red\" d=\"M8\n-00001920: 3137 2e39 322c 2d31 3039 362e 3831 4337  17.92,-1096.81C7\n-00001930: 3737 2e35 362c 2d31 3039 342e 3733 2037  77.56,-1094.73 7\n-00001940: 3036 2e38 382c 2d31 3038 352e 3539 2036  06.88,-1085.59 6\n-00001950: 3631 2c2d 3130 3438 2e37 3920 3538 312e  61,-1048.79 581.\n-00001960: 3935 2c2d 3938 352e 3338 2035 3531 2e38  95,-985.38 551.8\n-00001970: 352c 2d38 3539 2e31 3120 3534 322e 3535  5,-859.11 542.55\n-00001980: 2c2d 3830 372e 3537 222f 3e0a 3c70 6f6c  ,-807.57\"/>.<pol\n-00001990: 7967 6f6e 2066 696c 6c3d 2272 6564 2220  ygon fill=\"red\" \n-000019a0: 7374 726f 6b65 3d22 7265 6422 2070 6f69  stroke=\"red\" poi\n-000019b0: 6e74 733d 2235 3435 2e39 362c 2d38 3036  nts=\"545.96,-806\n-000019c0: 2e37 3620 3534 302e 3832 2c2d 3739 372e  .76 540.82,-797.\n-000019d0: 3439 2035 3339 2e30 362c 2d38 3037 2e39  49 539.06,-807.9\n-000019e0: 3420 3534 352e 3936 2c2d 3830 362e 3736  4 545.96,-806.76\n-000019f0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-00001a00: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00001a10: 5f6e 626e 786d 202d 2d3e 0a3c 6720 6964  _nbnxm -->.<g id\n-00001a20: 3d22 6e6f 6465 3137 2220 636c 6173 733d  =\"node17\" class=\n-00001a30: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d  \"node\">.<title>m\n-00001a40: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00001a50: 735f 6e62 6e78 6d3c 2f74 6974 6c65 3e0a  s_nbnxm</title>.\n-00001a60: 3c67 2069 643d 2261 5f6e 6f64 6531 3722  <g id=\"a_node17\"\n-00001a70: 3e3c 6120 786c 696e 6b3a 6872 6566 3d22  ><a xlink:href=\"\n-00001a80: 6772 6f75 705f 5f6d 6f64 756c 655f 5f6e  group__module__n\n-00001a90: 626e 786d 2e78 6874 6d6c 2220 7461 7267  bnxm.xhtml\" targ\n-00001aa0: 6574 3d22 5f74 6f70 2220 786c 696e 6b3a  et=\"_top\" xlink:\n-00001ab0: 7469 746c 653d 226e 626e 786d 223e 0a3c  title=\"nbnxm\">.<\n-00001ac0: 656c 6c69 7073 6520 6669 6c6c 3d22 2365  ellipse fill=\"#e\n-00001ad0: 3563 6366 6622 2073 7472 6f6b 653d 2262  5ccff\" stroke=\"b\n-00001ae0: 6c61 636b 2220 6378 3d22 3737 3922 2063  lack\" cx=\"779\" c\n-00001af0: 793d 222d 3334 332e 3739 2220 7278 3d22  y=\"-343.79\" rx=\"\n-00001b00: 3332 2e35 3522 2072 793d 2231 332e 3337  32.55\" ry=\"13.37\n-00001b10: 222f 3e0a 3c74 6578 7420 7465 7874 2d61  \"/>.<text text-a\n-00001b20: 6e63 686f 723d 226d 6964 646c 6522 2078  nchor=\"middle\" x\n-00001b30: 3d22 3737 3922 2079 3d22 2d33 3431 2e32  =\"779\" y=\"-341.2\n-00001b40: 3922 2066 6f6e 742d 6661 6d69 6c79 3d22  9\" font-family=\"\n-00001b50: 4672 6565 5361 6e73 2220 666f 6e74 2d73  FreeSans\" font-s\n-00001b60: 697a 653d 2231 302e 3030 223e 6e62 6e78  ize=\"10.00\">nbnx\n-00001b70: 6d3c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f  m</text>.</a>.</\n-00001b80: 673e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  g>.</g>.<!-- mod\n-00001b90: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00001ba0: 6d64 7275 6e26 2334 353b 2667 743b 6d6f  mdrun&#45;&gt;mo\n-00001bb0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00001bc0: 5f6e 626e 786d 202d 2d3e 0a3c 6720 6964  _nbnxm -->.<g id\n-00001bd0: 3d22 6564 6765 3232 2220 636c 6173 733d  =\"edge22\" class=\n-00001be0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00001bf0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00001c00: 735f 6d64 7275 6e26 2334 353b 2667 743b  s_mdrun&#45;&gt;\n-00001c10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00001c20: 6373 5f6e 626e 786d 3c2f 7469 746c 653e  cs_nbnxm</title>\n-00001c30: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-00001c40: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n-00001c50: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n-00001c60: 7272 6179 3d22 352c 3222 2064 3d22 4d38  rray=\"5,2\" d=\"M8\n-00001c70: 3230 2e31 322c 2d31 3039 332e 3133 4337  20.12,-1093.13C7\n-00001c80: 3132 2e32 332c 2d31 3037 372e 3032 2033  12.23,-1077.02 3\n-00001c90: 3339 2c2d 3130 3133 2e38 3620 3333 392c  39,-1013.86 339,\n-00001ca0: 2d39 3130 2e36 3220 3333 392c 2d39 3130  -910.62 339,-910\n-00001cb0: 2e36 3220 3333 392c 2d39 3130 2e36 3220  .62 339,-910.62 \n-00001cc0: 3333 392c 2d37 3832 2e38 3820 3333 392c  339,-782.88 339,\n-00001cd0: 2d37 3138 2e38 3220 3334 342e 3531 2c2d  -718.82 344.51,-\n-00001ce0: 3639 382e 3033 2033 3830 2c2d 3634 342e  698.03 380,-644.\n-00001cf0: 3720 3431 312e 3939 2c2d 3539 362e 3634  7 411.99,-596.64\n-00001d00: 2035 3536 2e34 332c 2d35 3132 2e32 3820   556.43,-512.28 \n-00001d10: 3638 312c 2d34 3230 2e30 3920 3638 322e  681,-420.09 682.\n-00001d20: 3839 2c2d 3431 382e 3720 3732 372e 3934  89,-418.7 727.94\n-00001d30: 2c2d 3338 342e 3035 2037 3536 2e33 2c2d  ,-384.05 756.3,-\n-00001d40: 3336 322e 3235 222f 3e0a 3c70 6f6c 7967  362.25\"/>.<polyg\n-00001d50: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n-00001d60: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-00001d70: 6322 2070 6f69 6e74 733d 2237 3538 2e37  c\" points=\"758.7\n-00001d80: 2c2d 3336 342e 3831 2037 3634 2e34 392c  ,-364.81 764.49,\n-00001d90: 2d33 3535 2e39 3420 3735 342e 3433 2c2d  -355.94 754.43,-\n-00001da0: 3335 392e 3236 2037 3538 2e37 2c2d 3336  359.26 758.7,-36\n-00001db0: 342e 3831 222f 3e0a 3c2f 673e 0a3c 212d  4.81\"/>.</g>.<!-\n-00001dc0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00001dd0: 6d61 6373 5f64 6f6d 6465 6320 2d2d 3e0a  macs_domdec -->.\n-00001de0: 3c67 2069 643d 226e 6f64 6531 3922 2063  <g id=\"node19\" c\n-00001df0: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469  lass=\"node\">.<ti\n-00001e00: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-00001e10: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74  romacs_domdec</t\n-00001e20: 6974 6c65 3e0a 3c67 2069 643d 2261 5f6e  itle>.<g id=\"a_n\n-00001e30: 6f64 6531 3922 3e3c 6120 786c 696e 6b3a  ode19\"><a xlink:\n-00001e40: 6872 6566 3d22 6772 6f75 705f 5f6d 6f64  href=\"group__mod\n-00001e50: 756c 655f 5f64 6f6d 6465 632e 7868 746d  ule__domdec.xhtm\n-00001e60: 6c22 2074 6172 6765 743d 225f 746f 7022  l\" target=\"_top\"\n-00001e70: 2078 6c69 6e6b 3a74 6974 6c65 3d22 646f   xlink:title=\"do\n-00001e80: 6d64 6563 223e 0a3c 656c 6c69 7073 6520  mdec\">.<ellipse \n-00001e90: 6669 6c6c 3d22 2365 3563 6366 6622 2073  fill=\"#e5ccff\" s\n-00001ea0: 7472 6f6b 653d 2262 6c61 636b 2220 6378  troke=\"black\" cx\n-00001eb0: 3d22 3638 3422 2063 793d 222d 3937 322e  =\"684\" cy=\"-972.\n-00001ec0: 3439 2220 7278 3d22 3336 2e31 3222 2072  49\" rx=\"36.12\" r\n-00001ed0: 793d 2231 332e 3337 222f 3e0a 3c74 6578  y=\"13.37\"/>.<tex\n-00001ee0: 7420 7465 7874 2d61 6e63 686f 723d 226d  t text-anchor=\"m\n-00001ef0: 6964 646c 6522 2078 3d22 3638 3422 2079  iddle\" x=\"684\" y\n-00001f00: 3d22 2d39 3639 2e39 3922 2066 6f6e 742d  =\"-969.99\" font-\n-00001f10: 6661 6d69 6c79 3d22 4672 6565 5361 6e73  family=\"FreeSans\n-00001f20: 2220 666f 6e74 2d73 697a 653d 2231 302e  \" font-size=\"10.\n-00001f30: 3030 223e 646f 6d64 6563 3c2f 7465 7874  00\">domdec</text\n-00001f40: 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e  >.</a>.</g>.</g>\n-00001f50: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00001f60: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n-00001f70: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00001f80: 635f 6772 6f6d 6163 735f 646f 6d64 6563  c_gromacs_domdec\n-00001f90: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-00001fa0: 3422 2063 6c61 7373 3d22 6564 6765 223e  4\" class=\"edge\">\n-00001fb0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00001fc0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n-00001fd0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00001fe0: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n-00001ff0: 6563 3c2f 7469 746c 653e 0a3c 7061 7468  ec</title>.<path\n-00002000: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-00002010: 6f6b 653d 2223 3238 3266 6363 2220 643d  oke=\"#282fcc\" d=\n-00002020: 224d 3832 312e 3235 2c2d 3130 3931 2e38  \"M821.25,-1091.8\n-00002030: 3343 3739 342e 3735 2c2d 3130 3834 2e39  3C794.75,-1084.9\n-00002040: 3220 3735 352e 3435 2c2d 3130 3731 2e31  2 755.45,-1071.1\n-00002050: 3120 3732 382c 2d31 3034 382e 3739 2037  1 728,-1048.79 7\n-00002060: 3130 2e30 332c 2d31 3033 342e 3137 2036  10.03,-1034.17 6\n-00002070: 3935 2e34 322c 2d31 3031 312e 3937 2036  95.42,-1011.97 6\n-00002080: 3837 2e37 362c 2d39 3935 2e34 3622 2f3e  87.76,-995.46\"/>\n-00002090: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-000020a0: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n-000020b0: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n-000020c0: 3d22 3639 302e 3933 2c2d 3939 332e 3937  =\"690.93,-993.97\n-000020d0: 2036 3833 2e39 322c 2d39 3836 2e30 3320   683.92,-986.03 \n-000020e0: 3638 342e 3435 2c2d 3939 362e 3631 2036  684.45,-996.61 6\n-000020f0: 3930 2e39 332c 2d39 3933 2e39 3722 2f3e  90.93,-993.97\"/>\n-00002100: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00002110: 655f 7372 635f 6772 6f6d 6163 735f 7377  e_src_gromacs_sw\n-00002120: 6170 202d 2d3e 0a3c 6720 6964 3d22 6e6f  ap -->.<g id=\"no\n-00002130: 6465 3230 2220 636c 6173 733d 226e 6f64  de20\" class=\"nod\n-00002140: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00002150: 655f 7372 635f 6772 6f6d 6163 735f 7377  e_src_gromacs_sw\n-00002160: 6170 3c2f 7469 746c 653e 0a3c 6720 6964  ap</title>.<g id\n-00002170: 3d22 615f 6e6f 6465 3230 223e 3c61 2078  =\"a_node20\"><a x\n-00002180: 6c69 6e6b 3a68 7265 663d 2267 726f 7570  link:href=\"group\n-00002190: 5f5f 6d6f 6475 6c65 5f5f 7377 6170 2e78  __module__swap.x\n-000021a0: 6874 6d6c 2220 7461 7267 6574 3d22 5f74  html\" target=\"_t\n-000021b0: 6f70 2220 786c 696e 6b3a 7469 746c 653d  op\" xlink:title=\n-000021c0: 2273 7761 7022 3e0a 3c65 6c6c 6970 7365  \"swap\">.<ellipse\n-000021d0: 2066 696c 6c3d 2223 6535 6363 6666 2220   fill=\"#e5ccff\" \n-000021e0: 7374 726f 6b65 3d22 626c 6163 6b22 2063  stroke=\"black\" c\n-000021f0: 783d 2239 3436 2220 6379 3d22 2d31 3033  x=\"946\" cy=\"-103\n-00002200: 352e 3336 2220 7278 3d22 3237 2e36 3522  5.36\" rx=\"27.65\"\n-00002210: 2072 793d 2231 332e 3337 222f 3e0a 3c74   ry=\"13.37\"/>.<t\n-00002220: 6578 7420 7465 7874 2d61 6e63 686f 723d  ext text-anchor=\n-00002230: 226d 6964 646c 6522 2078 3d22 3934 3622  \"middle\" x=\"946\"\n-00002240: 2079 3d22 2d31 3033 322e 3836 2220 666f   y=\"-1032.86\" fo\n-00002250: 6e74 2d66 616d 696c 793d 2246 7265 6553  nt-family=\"FreeS\n-00002260: 616e 7322 2066 6f6e 742d 7369 7a65 3d22  ans\" font-size=\"\n-00002270: 3130 2e30 3022 3e73 7761 703c 2f74 6578  10.00\">swap</tex\n-00002280: 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67  t>.</a>.</g>.</g\n-00002290: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-000022a0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26  c_gromacs_mdrun&\n-000022b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-000022c0: 7263 5f67 726f 6d61 6373 5f73 7761 7020  rc_gromacs_swap \n-000022d0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n-000022e0: 3022 2063 6c61 7373 3d22 6564 6765 223e  0\" class=\"edge\">\n-000022f0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00002300: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n-00002310: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00002320: 7372 635f 6772 6f6d 6163 735f 7377 6170  src_gromacs_swap\n-00002330: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00002340: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00002350: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n-00002360: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-00002370: 3222 2064 3d22 4d38 3635 2e39 2c2d 3130  2\" d=\"M865.9,-10\n-00002380: 3836 2e36 3243 3838 312e 3234 2c2d 3130  86.62C881.24,-10\n-00002390: 3736 2e39 3920 3930 342e 3036 2c2d 3130  76.99 904.06,-10\n-000023a0: 3632 2e36 3720 3932 312e 3433 2c2d 3130  62.67 921.43,-10\n-000023b0: 3531 2e37 3822 2f3e 0a3c 706f 6c79 676f  51.78\"/>.<polygo\n-000023c0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n-000023d0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-000023e0: 2220 706f 696e 7473 3d22 3932 332e 3333  \" points=\"923.33\n-000023f0: 2c2d 3130 3534 2e37 3120 3932 392e 3934  ,-1054.71 929.94\n-00002400: 2c2d 3130 3436 2e34 3320 3931 392e 3631  ,-1046.43 919.61\n-00002410: 2c2d 3130 3438 2e37 3820 3932 332e 3333  ,-1048.78 923.33\n-00002420: 2c2d 3130 3534 2e37 3122 2f3e 0a3c 2f67  ,-1054.71\"/>.</g\n-00002430: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-00002440: 635f 6772 6f6d 6163 735f 6d64 6c69 6220  c_gromacs_mdlib \n-00002450: 2d2d 3e0a 3c67 2069 643d 226e 6f64 6532  -->.<g id=\"node2\n-00002460: 3122 2063 6c61 7373 3d22 6e6f 6465 223e  1\" class=\"node\">\n-00002470: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00002480: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n-00002490: 3c2f 7469 746c 653e 0a3c 656c 6c69 7073  </title>.<ellips\n-000024a0: 6520 6669 6c6c 3d22 2362 6662 6662 6622  e fill=\"#bfbfbf\"\n-000024b0: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n-000024c0: 6378 3d22 3132 3230 2220 6379 3d22 2d32  cx=\"1220\" cy=\"-2\n-000024d0: 3138 2e30 3522 2072 783d 2232 382e 3037  18.05\" rx=\"28.07\n-000024e0: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c  \" ry=\"13.37\"/>.<\n-000024f0: 7465 7874 2074 6578 742d 616e 6368 6f72  text text-anchor\n-00002500: 3d22 6d69 6464 6c65 2220 783d 2231 3232  =\"middle\" x=\"122\n-00002510: 3022 2079 3d22 2d32 3135 2e35 3522 2066  0\" y=\"-215.55\" f\n-00002520: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565  ont-family=\"Free\n-00002530: 5361 6e73 2220 666f 6e74 2d73 697a 653d  Sans\" font-size=\n-00002540: 2231 302e 3030 223e 6d64 6c69 623c 2f74  \"10.00\">mdlib</t\n-00002550: 6578 743e 0a3c 2f67 3e0a 3c21 2d2d 206d  ext>.</g>.<!-- m\n-00002560: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00002570: 735f 6d64 7275 6e26 2334 353b 2667 743b  s_mdrun&#45;&gt;\n-00002580: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00002590: 6373 5f6d 646c 6962 202d 2d3e 0a3c 6720  cs_mdlib -->.<g \n-000025a0: 6964 3d22 6564 6765 3222 2063 6c61 7373  id=\"edge2\" class\n-000025b0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-000025c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000025d0: 6373 5f6d 6472 756e 2623 3435 3b26 6774  cs_mdrun&#45;&gt\n-000025e0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-000025f0: 6163 735f 6d64 6c69 623c 2f74 6974 6c65  acs_mdlib</title\n-00002600: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00002610: 6e65 2220 7374 726f 6b65 3d22 7265 6422  ne\" stroke=\"red\"\n-00002620: 2064 3d22 4d38 3737 2e33 2c2d 3130 3932   d=\"M877.3,-1092\n-00002630: 2e34 3443 3930 382e 3232 2c2d 3130 3836  .44C908.22,-1086\n-00002640: 2e32 2039 3538 2e32 352c 2d31 3037 332e  .2 958.25,-1073.\n-00002650: 3131 2039 3935 2c2d 3130 3438 2e37 3920  11 995,-1048.79 \n-00002660: 3130 3339 2e33 312c 2d31 3031 392e 3436  1039.31,-1019.46\n-00002670: 2031 3032 382e 3132 2c2d 3938 352e 3836   1028.12,-985.86\n-00002680: 2031 3037 342c 2d39 3539 2e30 3520 3131   1074,-959.05 11\n-00002690: 3430 2e36 382c 2d39 3230 2e30 3920 3131  40.68,-920.09 11\n-000026a0: 3735 2e31 332c 2d39 3538 2031 3234 342c  75.13,-958 1244,\n-000026b0: 2d39 3233 2e30 3520 3132 3539 2e39 362c  -923.05 1259.96,\n-000026c0: 2d39 3134 2e39 3520 3132 3630 2e31 362c  -914.95 1260.16,\n-000026d0: 2d39 3037 2e35 3320 3132 3734 2c2d 3839  -907.53 1274,-89\n-000026e0: 362e 3138 2031 3239 342e 3632 2c2d 3837  6.18 1294.62,-87\n-000026f0: 392e 3237 2031 3330 332e 3036 2c2d 3837  9.27 1303.06,-87\n-00002700: 382e 3936 2031 3332 322c 2d38 3630 2e31  8.96 1322,-860.1\n-00002710: 3820 3133 3436 2e39 362c 2d38 3335 2e34  8 1346.96,-835.4\n-00002720: 3320 3133 3533 2e33 322c 2d38 3238 2e32  3 1353.32,-828.2\n-00002730: 3620 3133 3730 2c2d 3739 372e 3331 2031  6 1370,-797.31 1\n-00002740: 3432 392e 3735 2c2d 3638 362e 3435 2031  429.75,-686.45 1\n-00002750: 3434 382e 3337 2c2d 3634 322e 3331 2031  448.37,-642.31 1\n-00002760: 3432 332c 2d35 3138 2e39 3620 3133 3937  423,-518.96 1397\n-00002770: 2e35 372c 2d33 3935 2e33 3220 3133 3736  .57,-395.32 1376\n-00002780: 2e36 382c 2d33 3630 2e31 3820 3132 3931  .68,-360.18 1291\n-00002790: 2c2d 3236 372e 3438 2031 3237 382e 3435  ,-267.48 1278.45\n-000027a0: 2c2d 3235 332e 3931 2031 3236 312e 3433  ,-253.91 1261.43\n-000027b0: 2c2d 3234 322e 3133 2031 3234 372e 3139  ,-242.13 1247.19\n-000027c0: 2c2d 3233 332e 3539 222f 3e0a 3c70 6f6c  ,-233.59\"/>.<pol\n-000027d0: 7967 6f6e 2066 696c 6c3d 2272 6564 2220  ygon fill=\"red\" \n-000027e0: 7374 726f 6b65 3d22 7265 6422 2070 6f69  stroke=\"red\" poi\n-000027f0: 6e74 733d 2231 3234 382e 3733 2c2d 3233  nts=\"1248.73,-23\n-00002800: 302e 3433 2031 3233 382e 3332 2c2d 3232  0.43 1238.32,-22\n-00002810: 382e 3436 2031 3234 352e 3232 2c2d 3233  8.46 1245.22,-23\n-00002820: 362e 3439 2031 3234 382e 3733 2c2d 3233  6.49 1248.73,-23\n-00002830: 302e 3433 222f 3e0a 3c2f 673e 0a3c 212d  0.43\"/>.</g>.<!-\n-00002840: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00002850: 6d61 6373 5f63 6f6d 7061 7420 2d2d 3e0a  macs_compat -->.\n-00002860: 3c67 2069 643d 226e 6f64 6532 3422 2063  <g id=\"node24\" c\n-00002870: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469  lass=\"node\">.<ti\n-00002880: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-00002890: 726f 6d61 6373 5f63 6f6d 7061 743c 2f74  romacs_compat</t\n-000028a0: 6974 6c65 3e0a 3c65 6c6c 6970 7365 2066  itle>.<ellipse f\n-000028b0: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n-000028c0: 726f 6b65 3d22 626c 6163 6b22 2063 783d  roke=\"black\" cx=\n-000028d0: 2238 3030 2220 6379 3d22 2d31 3535 2e31  \"800\" cy=\"-155.1\n-000028e0: 3822 2072 783d 2233 342e 3822 2072 793d  8\" rx=\"34.8\" ry=\n-000028f0: 2231 332e 3337 222f 3e0a 3c74 6578 7420  \"13.37\"/>.<text \n-00002900: 7465 7874 2d61 6e63 686f 723d 226d 6964  text-anchor=\"mid\n-00002910: 646c 6522 2078 3d22 3830 3022 2079 3d22  dle\" x=\"800\" y=\"\n-00002920: 2d31 3532 2e36 3822 2066 6f6e 742d 6661  -152.68\" font-fa\n-00002930: 6d69 6c79 3d22 4672 6565 5361 6e73 2220  mily=\"FreeSans\" \n-00002940: 666f 6e74 2d73 697a 653d 2231 302e 3030  font-size=\"10.00\n-00002950: 223e 636f 6d70 6174 3c2f 7465 7874 3e0a  \">compat</text>.\n-00002960: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00002970: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472  _src_gromacs_mdr\n-00002980: 756e 2623 3435 3b26 6774 3b6d 6f64 756c  un&#45;&gt;modul\n-00002990: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n-000029a0: 6d70 6174 202d 2d3e 0a3c 6720 6964 3d22  mpat -->.<g id=\"\n-000029b0: 6564 6765 3722 2063 6c61 7373 3d22 6564  edge7\" class=\"ed\n-000029c0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-000029d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-000029e0: 6472 756e 2623 3435 3b26 6774 3b6d 6f64  drun&#45;&gt;mod\n-000029f0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00002a00: 636f 6d70 6174 3c2f 7469 746c 653e 0a3c  compat</title>.<\n-00002a10: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00002a20: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-00002a30: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-00002a40: 6179 3d22 352c 3222 2064 3d22 4d38 3137  ay=\"5,2\" d=\"M817\n-00002a50: 2e36 322c 2d31 3039 372e 3331 4336 3836  .62,-1097.31C686\n-00002a60: 2e31 342c 2d31 3039 372e 3336 2031 3834  .14,-1097.36 184\n-00002a70: 2e30 382c 2d31 3039 342e 3534 2031 3332  .08,-1094.54 132\n-00002a80: 2c2d 3130 3438 2e37 3920 3130 362e 3336  ,-1048.79 106.36\n-00002a90: 2c2d 3130 3236 2e32 3720 3131 372c 2d31  ,-1026.27 117,-1\n-00002aa0: 3030 372e 3631 2031 3137 2c2d 3937 332e  007.61 117,-973.\n-00002ab0: 3439 2031 3137 2c2d 3937 332e 3439 2031  49 117,-973.49 1\n-00002ac0: 3137 2c2d 3937 332e 3439 2031 3137 2c2d  17,-973.49 117,-\n-00002ad0: 3533 312e 3420 3131 372c 2d33 3230 2e32  531.4 117,-320.2\n-00002ae0: 2032 3539 2e39 322c 2d32 3635 2e39 3920   259.92,-265.99 \n-00002af0: 3436 322c 2d32 3034 2e36 3120 3536 342e  462,-204.61 564.\n-00002b00: 3039 2c2d 3137 332e 3620 3638 392e 372c  09,-173.6 689.7,\n-00002b10: 2d31 3632 2e32 3520 3735 352e 3239 2c2d  -162.25 755.29,-\n-00002b20: 3135 382e 3235 222f 3e0a 3c70 6f6c 7967  158.25\"/>.<polyg\n-00002b30: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n-00002b40: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-00002b50: 6322 2070 6f69 6e74 733d 2237 3535 2e39  c\" points=\"755.9\n-00002b60: 2c2d 3136 312e 3732 2037 3635 2e36 382c  ,-161.72 765.68,\n-00002b70: 2d31 3537 2e36 3520 3735 352e 3439 2c2d  -157.65 755.49,-\n-00002b80: 3135 342e 3733 2037 3535 2e39 2c2d 3136  154.73 755.9,-16\n-00002b90: 312e 3732 222f 3e0a 3c2f 673e 0a3c 212d  1.72\"/>.</g>.<!-\n-00002ba0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00002bb0: 6d61 6373 5f68 6172 6477 6172 6520 2d2d  macs_hardware --\n-00002bc0: 3e0a 3c67 2069 643d 226e 6f64 6532 3522  >.<g id=\"node25\"\n-00002bd0: 2063 6c61 7373 3d22 6e6f 6465 223e 0a3c   class=\"node\">.<\n-00002be0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00002bf0: 5f67 726f 6d61 6373 5f68 6172 6477 6172  _gromacs_hardwar\n-00002c00: 653c 2f74 6974 6c65 3e0a 3c65 6c6c 6970  e</title>.<ellip\n-00002c10: 7365 2066 696c 6c3d 2223 6266 6266 6266  se fill=\"#bfbfbf\n-00002c20: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n-00002c30: 2063 783d 2234 3536 2220 6379 3d22 2d34   cx=\"456\" cy=\"-4\n-00002c40: 3639 2e35 3322 2072 783d 2233 392e 3722  69.53\" rx=\"39.7\"\n-00002c50: 2072 793d 2231 332e 3337 222f 3e0a 3c74   ry=\"13.37\"/>.<t\n-00002c60: 6578 7420 7465 7874 2d61 6e63 686f 723d  ext text-anchor=\n-00002c70: 226d 6964 646c 6522 2078 3d22 3435 3622  \"middle\" x=\"456\"\n-00002c80: 2079 3d22 2d34 3637 2e30 3322 2066 6f6e   y=\"-467.03\" fon\n-00002c90: 742d 6661 6d69 6c79 3d22 4672 6565 5361  t-family=\"FreeSa\n-00002ca0: 6e73 2220 666f 6e74 2d73 697a 653d 2231  ns\" font-size=\"1\n-00002cb0: 302e 3030 223e 6861 7264 7761 7265 3c2f  0.00\">hardware</\n-00002cc0: 7465 7874 3e0a 3c2f 673e 0a3c 212d 2d20  text>.</g>.<!-- \n-00002cd0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00002ce0: 6373 5f6d 6472 756e 2623 3435 3b26 6774  cs_mdrun&#45;&gt\n-00002cf0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00002d00: 6163 735f 6861 7264 7761 7265 202d 2d3e  acs_hardware -->\n-00002d10: 0a3c 6720 6964 3d22 6564 6765 3522 2063  .<g id=\"edge5\" c\n-00002d20: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-00002d30: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-00002d40: 726f 6d61 6373 5f6d 6472 756e 2623 3435  romacs_mdrun&#45\n-00002d50: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00002d60: 6772 6f6d 6163 735f 6861 7264 7761 7265  gromacs_hardware\n-00002d70: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00002d80: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00002d90: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n-00002da0: 3831 372e 3637 2c2d 3130 3937 2e31 3743  817.67,-1097.17C\n-00002db0: 3639 302e 3935 2c2d 3130 3936 2e36 3720  690.95,-1096.67 \n-00002dc0: 3232 302e 3838 2c2d 3130 3931 2e39 3120  220.88,-1091.91 \n-00002dd0: 3137 322c 2d31 3034 382e 3739 2031 3436  172,-1048.79 146\n-00002de0: 2e34 312c 2d31 3032 362e 3232 2031 3537  .41,-1026.22 157\n-00002df0: 2c2d 3130 3037 2e36 3120 3135 372c 2d39  ,-1007.61 157,-9\n-00002e00: 3733 2e34 3920 3135 372c 2d39 3733 2e34  73.49 157,-973.4\n-00002e10: 3920 3135 372c 2d39 3733 2e34 3920 3135  9 157,-973.49 15\n-00002e20: 372c 2d37 3230 2e30 3120 3135 372c 2d36  7,-720.01 157,-6\n-00002e30: 3234 2e36 3420 3135 332e 3735 2c2d 3537  24.64 153.75,-57\n-00002e40: 332e 3438 2032 3332 2c2d 3531 382e 3936  3.48 232,-518.96\n-00002e50: 2032 3833 2e38 352c 2d34 3832 2e38 3320   283.85,-482.83 \n-00002e60: 3335 372e 362c 2d34 3732 2e38 3920 3430  357.6,-472.89 40\n-00002e70: 362e 3131 2c2d 3437 302e 3535 222f 3e0a  6.11,-470.55\"/>.\n-00002e80: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-00002e90: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n-00002ea0: 2362 6662 6662 6622 2070 6f69 6e74 733d  #bfbfbf\" points=\n-00002eb0: 2234 3036 2e35 2c2d 3437 342e 3033 2034  \"406.5,-474.03 4\n-00002ec0: 3136 2e33 362c 2d34 3730 2e31 3520 3430  16.36,-470.15 40\n-00002ed0: 362e 3233 2c2d 3436 372e 3034 2034 3036  6.23,-467.04 406\n-00002ee0: 2e35 2c2d 3437 342e 3033 222f 3e0a 3c2f  .5,-474.03\"/>.</\n-00002ef0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00002f00: 7263 5f67 726f 6d61 6373 5f67 7075 5f75  rc_gromacs_gpu_u\n-00002f10: 7469 6c73 202d 2d3e 0a3c 6720 6964 3d22  tils -->.<g id=\"\n-00002f20: 6e6f 6465 3237 2220 636c 6173 733d 226e  node27\" class=\"n\n-00002f30: 6f64 6522 3e0a 3c74 6974 6c65 3e6d 6f64  ode\">.<title>mod\n-00002f40: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00002f50: 6770 755f 7574 696c 733c 2f74 6974 6c65  gpu_utils</title\n-00002f60: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d  >.<ellipse fill=\n-00002f70: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n-00002f80: 3d22 626c 6163 6b22 2063 783d 2236 3332  =\"black\" cx=\"632\n-00002f90: 2220 6379 3d22 2d34 3036 2e36 3622 2072  \" cy=\"-406.66\" r\n-00002fa0: 783d 2233 392e 3722 2072 793d 2231 332e  x=\"39.7\" ry=\"13.\n-00002fb0: 3337 222f 3e0a 3c74 6578 7420 7465 7874  37\"/>.<text text\n-00002fc0: 2d61 6e63 686f 723d 226d 6964 646c 6522  -anchor=\"middle\"\n-00002fd0: 2078 3d22 3633 3222 2079 3d22 2d34 3034   x=\"632\" y=\"-404\n-00002fe0: 2e31 3622 2066 6f6e 742d 6661 6d69 6c79  .16\" font-family\n-00002ff0: 3d22 4672 6565 5361 6e73 2220 666f 6e74  =\"FreeSans\" font\n-00003000: 2d73 697a 653d 2231 302e 3030 223e 6770  -size=\"10.00\">gp\n-00003010: 755f 7574 696c 733c 2f74 6578 743e 0a3c  u_utils</text>.<\n-00003020: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-00003030: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n-00003040: 6e26 2334 353b 2667 743b 6d6f 6475 6c65  n&#45;&gt;module\n-00003050: 5f73 7263 5f67 726f 6d61 6373 5f67 7075  _src_gromacs_gpu\n-00003060: 5f75 7469 6c73 202d 2d3e 0a3c 6720 6964  _utils -->.<g id\n-00003070: 3d22 6564 6765 3132 2220 636c 6173 733d  =\"edge12\" class=\n-00003080: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00003090: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-000030a0: 735f 6d64 7275 6e26 2334 353b 2667 743b  s_mdrun&#45;&gt;\n-000030b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000030c0: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469  cs_gpu_utils</ti\n-000030d0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-000030e0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-000030f0: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n-00003100: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-00003110: 3d22 4d38 3137 2e39 312c 2d31 3039 362e  =\"M817.91,-1096.\n-00003120: 3633 4336 3937 2e34 322c 2d31 3039 342e  63C697.42,-1094.\n-00003130: 3036 2032 3635 2e34 362c 2d31 3038 322e  06 265.46,-1082.\n-00003140: 3536 2032 3135 2c2d 3130 3438 2e37 3920  56 215,-1048.79 \n-00003150: 3138 332e 3835 2c2d 3130 3237 2e39 3420  183.85,-1027.94 \n-00003160: 3137 372c 2d31 3031 302e 3937 2031 3737  177,-1010.97 177\n-00003170: 2c2d 3937 332e 3439 2031 3737 2c2d 3937  ,-973.49 177,-97\n-00003180: 332e 3439 2031 3737 2c2d 3937 332e 3439  3.49 177,-973.49\n-00003190: 2031 3737 2c2d 3732 302e 3031 2031 3737   177,-720.01 177\n-000031a0: 2c2d 3539 382e 3538 2032 3535 2e31 392c  ,-598.58 255.19,\n-000031b0: 2d35 3736 2e37 3120 3336 322c 2d35 3138  -576.71 362,-518\n-000031c0: 2e39 3620 3434 382c 2d34 3732 2e34 3620  .96 448,-472.46 \n-000031d0: 3439 392e 3034 2c2d 3533 392e 3231 2035  499.04,-539.21 5\n-000031e0: 3739 2c2d 3438 322e 3936 2035 3930 2e31  79,-482.96 590.1\n-000031f0: 392c 2d34 3735 2e30 3920 3538 362e 3432  9,-475.09 586.42\n-00003200: 2c2d 3436 372e 3438 2035 3934 2c2d 3435  ,-467.48 594,-45\n-00003210: 362e 3039 2036 3030 2e34 2c2d 3434 362e  6.09 600.4,-446.\n-00003220: 3438 2036 3038 2e31 362c 2d34 3336 2e33  48 608.16,-436.3\n-00003230: 3620 3631 352c 2d34 3237 2e38 3722 2f3e  6 615,-427.87\"/>\n-00003240: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-00003250: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n-00003260: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n-00003270: 3d22 3631 372e 3831 2c2d 3432 392e 3935  =\"617.81,-429.95\n-00003280: 2036 3231 2e34 342c 2d34 3230 2036 3132   621.44,-420 612\n-00003290: 2e34 2c2d 3432 352e 3532 2036 3137 2e38  .4,-425.52 617.8\n-000032a0: 312c 2d34 3239 2e39 3522 2f3e 0a3c 2f67  1,-429.95\"/>.</g\n-000032b0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-000032c0: 635f 6772 6f6d 6163 735f 7075 6c6c 696e  c_gromacs_pullin\n-000032d0: 6720 2d2d 3e0a 3c67 2069 643d 226e 6f64  g -->.<g id=\"nod\n-000032e0: 6533 3222 2063 6c61 7373 3d22 6e6f 6465  e32\" class=\"node\n-000032f0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00003300: 5f73 7263 5f67 726f 6d61 6373 5f70 756c  _src_gromacs_pul\n-00003310: 6c69 6e67 3c2f 7469 746c 653e 0a3c 656c  ling</title>.<el\n-00003320: 6c69 7073 6520 6669 6c6c 3d22 2362 6662  lipse fill=\"#bfb\n-00003330: 6662 6622 2073 7472 6f6b 653d 2262 6c61  fbf\" stroke=\"bla\n-00003340: 636b 2220 6378 3d22 3130 3839 2220 6379  ck\" cx=\"1089\" cy\n-00003350: 3d22 2d37 3833 2e38 3822 2072 783d 2233  =\"-783.88\" rx=\"3\n-00003360: 312e 3233 2220 7279 3d22 3133 2e33 3722  1.23\" ry=\"13.37\"\n-00003370: 2f3e 0a3c 7465 7874 2074 6578 742d 616e  />.<text text-an\n-00003380: 6368 6f72 3d22 6d69 6464 6c65 2220 783d  chor=\"middle\" x=\n-00003390: 2231 3038 3922 2079 3d22 2d37 3831 2e33  \"1089\" y=\"-781.3\n-000033a0: 3822 2066 6f6e 742d 6661 6d69 6c79 3d22  8\" font-family=\"\n-000033b0: 4672 6565 5361 6e73 2220 666f 6e74 2d73  FreeSans\" font-s\n-000033c0: 697a 653d 2231 302e 3030 223e 7075 6c6c  ize=\"10.00\">pull\n-000033d0: 696e 673c 2f74 6578 743e 0a3c 2f67 3e0a  ing</text>.</g>.\n-000033e0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-000033f0: 6772 6f6d 6163 735f 6d64 7275 6e26 2334  gromacs_mdrun&#4\n-00003400: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00003410: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67  _gromacs_pulling\n-00003420: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-00003430: 3233 2220 636c 6173 733d 2265 6467 6522  23\" class=\"edge\"\n-00003440: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00003450: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n-00003460: 6e26 2334 353b 2667 743b 6d6f 6475 6c65  n&#45;&gt;module\n-00003470: 5f73 7263 5f67 726f 6d61 6373 5f70 756c  _src_gromacs_pul\n-00003480: 6c69 6e67 3c2f 7469 746c 653e 0a3c 7061  ling</title>.<pa\n-00003490: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-000034a0: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-000034b0: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n-000034c0: 3d22 352c 3222 2064 3d22 4d38 3438 2e30  =\"5,2\" d=\"M848.0\n-000034d0: 352c 2d31 3038 342e 3634 4338 3436 2e37  5,-1084.64C846.7\n-000034e0: 362c 2d31 3035 372e 3834 2038 3437 2e36  6,-1057.84 847.6\n-000034f0: 392c 2d39 3934 2e36 3520 3838 312c 2d39  9,-994.65 881,-9\n-00003500: 3539 2e30 3520 3931 342e 3731 2c2d 3932  59.05 914.71,-92\n-00003510: 332e 3033 2039 3436 2e31 342c 2d39 3532  3.03 946.14,-952\n-00003520: 2e31 3320 3938 362c 2d39 3233 2e30 3520  .13 986,-923.05 \n-00003530: 3939 372e 3533 2c2d 3931 342e 3634 2031  997.53,-914.64 1\n-00003540: 3034 392e 312c 2d38 3431 2e39 3920 3130  049.1,-841.99 10\n-00003550: 3734 2e36 312c 2d38 3035 2e35 3522 2f3e  74.61,-805.55\"/>\n-00003560: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-00003570: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n-00003580: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n-00003590: 3d22 3130 3737 2e36 342c 2d38 3037 2e33  =\"1077.64,-807.3\n-000035a0: 3220 3130 3830 2e35 2c2d 3739 372e 3132  2 1080.5,-797.12\n-000035b0: 2031 3037 312e 392c 2d38 3033 2e33 3220   1071.9,-803.32 \n-000035c0: 3130 3737 2e36 342c 2d38 3037 2e33 3222  1077.64,-807.32\"\n-000035d0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-000035e0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-000035f0: 676d 786c 6962 202d 2d3e 0a3c 6720 6964  gmxlib -->.<g id\n-00003600: 3d22 6e6f 6465 3333 2220 636c 6173 733d  =\"node33\" class=\n-00003610: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d  \"node\">.<title>m\n-00003620: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00003630: 735f 676d 786c 6962 3c2f 7469 746c 653e  s_gmxlib</title>\n-00003640: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22  .<ellipse fill=\"\n-00003650: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n-00003660: 2262 6c61 636b 2220 6378 3d22 3132 3838  \"black\" cx=\"1288\n-00003670: 2220 6379 3d22 2d37 3231 2e30 3122 2072  \" cy=\"-721.01\" r\n-00003680: 783d 2233 312e 3634 2220 7279 3d22 3133  x=\"31.64\" ry=\"13\n-00003690: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n-000036a0: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n-000036b0: 2220 783d 2231 3238 3822 2079 3d22 2d37  \" x=\"1288\" y=\"-7\n-000036c0: 3138 2e35 3122 2066 6f6e 742d 6661 6d69  18.51\" font-fami\n-000036d0: 6c79 3d22 4672 6565 5361 6e73 2220 666f  ly=\"FreeSans\" fo\n-000036e0: 6e74 2d73 697a 653d 2231 302e 3030 223e  nt-size=\"10.00\">\n-000036f0: 676d 786c 6962 3c2f 7465 7874 3e0a 3c2f  gmxlib</text>.</\n-00003700: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00003710: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n-00003720: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00003730: 7372 635f 6772 6f6d 6163 735f 676d 786c  src_gromacs_gmxl\n-00003740: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564  ib -->.<g id=\"ed\n-00003750: 6765 3131 2220 636c 6173 733d 2265 6467  ge11\" class=\"edg\n-00003760: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00003770: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00003780: 7275 6e26 2334 353b 2667 743b 6d6f 6475  run&#45;&gt;modu\n-00003790: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-000037a0: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70  mxlib</title>.<p\n-000037b0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-000037c0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-000037d0: 2064 3d22 4d38 3535 2e34 342c 2d31 3038   d=\"M855.44,-108\n-000037e0: 342e 3937 4338 3731 2e37 332c 2d31 3035  4.97C871.73,-105\n-000037f0: 342e 3420 3931 352e 3032 2c2d 3937 352e  4.4 915.02,-975.\n-00003800: 3937 2039 3339 2c2d 3935 392e 3035 2039  97 939,-959.05 9\n-00003810: 3935 2e30 322c 2d39 3139 2e35 3220 3130  95.02,-919.52 10\n-00003820: 3236 2e31 322c 2d39 3530 2e33 3820 3130  26.12,-950.38 10\n-00003830: 3839 2c2d 3932 332e 3035 2031 3133 352e  89,-923.05 1135.\n-00003840: 3433 2c2d 3930 322e 3837 2031 3134 372e  43,-902.87 1147.\n-00003850: 3133 2c2d 3839 342e 3838 2031 3138 342c  13,-894.88 1184,\n-00003860: 2d38 3630 2e31 3820 3132 3232 2e37 2c2d  -860.18 1222.7,-\n-00003870: 3832 332e 3736 2031 3235 372e 362c 2d37  823.76 1257.6,-7\n-00003880: 3731 2e36 3520 3132 3735 2e34 352c 2d37  71.65 1275.45,-7\n-00003890: 3432 2e39 3622 2f3e 0a3c 706f 6c79 676f  42.96\"/>.<polygo\n-000038a0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n-000038b0: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n-000038c0: 2220 706f 696e 7473 3d22 3132 3738 2e35  \" points=\"1278.5\n-000038d0: 392c 2d37 3434 2e35 3420 3132 3830 2e38  9,-744.54 1280.8\n-000038e0: 342c 2d37 3334 2e31 3820 3132 3732 2e36  4,-734.18 1272.6\n-000038f0: 332c 2d37 3430 2e38 3820 3132 3738 2e35  3,-740.88 1278.5\n-00003900: 392c 2d37 3434 2e35 3422 2f3e 0a3c 2f67  9,-744.54\"/>.</g\n-00003910: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-00003920: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n-00003930: 7320 2d2d 3e0a 3c67 2069 643d 226e 6f64  s -->.<g id=\"nod\n-00003940: 6533 3422 2063 6c61 7373 3d22 6e6f 6465  e34\" class=\"node\n-00003950: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00003960: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474  _src_gromacs_mdt\n-00003970: 7970 6573 3c2f 7469 746c 653e 0a3c 656c  ypes</title>.<el\n-00003980: 6c69 7073 6520 6669 6c6c 3d22 2362 6662  lipse fill=\"#bfb\n-00003990: 6662 6622 2073 7472 6f6b 653d 2262 6c61  fbf\" stroke=\"bla\n-000039a0: 636b 2220 6378 3d22 3936 3122 2063 793d  ck\" cx=\"961\" cy=\n-000039b0: 222d 3635 382e 3134 2220 7278 3d22 3338  \"-658.14\" rx=\"38\n-000039c0: 2e33 3722 2072 793d 2231 332e 3337 222f  .37\" ry=\"13.37\"/\n-000039d0: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63  >.<text text-anc\n-000039e0: 686f 723d 226d 6964 646c 6522 2078 3d22  hor=\"middle\" x=\"\n-000039f0: 3936 3122 2079 3d22 2d36 3535 2e36 3422  961\" y=\"-655.64\"\n-00003a00: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672   font-family=\"Fr\n-00003a10: 6565 5361 6e73 2220 666f 6e74 2d73 697a  eeSans\" font-siz\n-00003a20: 653d 2231 302e 3030 223e 6d64 7479 7065  e=\"10.00\">mdtype\n-00003a30: 733c 2f74 6578 743e 0a3c 2f67 3e0a 3c21  s</text>.</g>.<!\n-00003a40: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00003a50: 6f6d 6163 735f 6d64 7275 6e26 2334 353b  omacs_mdrun&#45;\n-00003a60: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00003a70: 726f 6d61 6373 5f6d 6474 7970 6573 202d  romacs_mdtypes -\n-00003a80: 2d3e 0a3c 6720 6964 3d22 6564 6765 3322  ->.<g id=\"edge3\"\n-00003a90: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-00003aa0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00003ab0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n-00003ac0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00003ad0: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n-00003ae0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820  s</title>.<path \n-00003af0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-00003b00: 6b65 3d22 7265 6422 2064 3d22 4d38 3437  ke=\"red\" d=\"M847\n-00003b10: 2e36 362c 2d31 3038 342e 3543 3834 362e  .66,-1084.5C846.\n-00003b20: 372c 2d31 3037 342e 3734 2038 3435 2e35  7,-1074.74 845.5\n-00003b30: 2c2d 3130 3630 2e39 3320 3834 352c 2d31  ,-1060.93 845,-1\n-00003b40: 3034 382e 3739 2038 3433 2e33 332c 2d31  048.79 843.33,-1\n-00003b50: 3030 382e 3339 2038 3432 2e37 322c 2d39  008.39 842.72,-9\n-00003b60: 3935 2e36 3120 3836 302c 2d39 3539 2e30  95.61 860,-959.0\n-00003b70: 3520 3837 312e 3739 2c2d 3933 342e 3132  5 871.79,-934.12\n-00003b80: 2039 3139 2e37 382c 2d38 3833 2e31 3820   919.78,-883.18 \n-00003b90: 3933 352c 2d38 3630 2e31 3820 3935 322e  935,-860.18 952.\n-00003ba0: 3737 2c2d 3833 332e 3333 2039 3538 2e37  77,-833.33 958.7\n-00003bb0: 2c2d 3832 372e 3037 2039 3731 2c2d 3739  ,-827.07 971,-79\n-00003bc0: 372e 3331 2039 3832 2e30 362c 2d37 3730  7.31 982.06,-770\n-00003bd0: 2e35 3620 3938 342e 3139 2c2d 3736 332e  .56 984.19,-763.\n-00003be0: 3133 2039 3838 2c2d 3733 342e 3434 2039  13 988,-734.44 9\n-00003bf0: 3839 2e35 372c 2d37 3232 2e36 2039 3931  89.57,-722.6 991\n-00003c00: 2c2d 3731 392e 3133 2039 3838 2c2d 3730  ,-719.13 988,-70\n-00003c10: 372e 3537 2039 3835 2e35 2c2d 3639 372e  7.57 985.5,-697.\n-00003c20: 3936 2039 3830 2e36 332c 2d36 3838 2e32  96 980.63,-688.2\n-00003c30: 3320 3937 352e 3731 2c2d 3638 302e 3033  3 975.71,-680.03\n-00003c40: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-00003c50: 6c3d 2272 6564 2220 7374 726f 6b65 3d22  l=\"red\" stroke=\"\n-00003c60: 7265 6422 2070 6f69 6e74 733d 2239 3738  red\" points=\"978\n-00003c70: 2e35 392c 2d36 3738 2e30 3520 3937 302e  .59,-678.05 970.\n-00003c80: 3235 2c2d 3637 312e 3532 2039 3732 2e37  25,-671.52 972.7\n-00003c90: 2c2d 3638 312e 3833 2039 3738 2e35 392c  ,-681.83 978.59,\n-00003ca0: 2d36 3738 2e30 3522 2f3e 0a3c 2f67 3e0a  -678.05\"/>.</g>.\n-00003cb0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00003cc0: 6772 6f6d 6163 735f 636f 6d6d 616e 646c  gromacs_commandl\n-00003cd0: 696e 6520 2d2d 3e0a 3c67 2069 643d 226e  ine -->.<g id=\"n\n-00003ce0: 6f64 6533 3522 2063 6c61 7373 3d22 6e6f  ode35\" class=\"no\n-00003cf0: 6465 223e 0a3c 7469 746c 653e 6d6f 6475  de\">.<title>modu\n-00003d00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63  le_src_gromacs_c\n-00003d10: 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 746c  ommandline</titl\n-00003d20: 653e 0a3c 6720 6964 3d22 615f 6e6f 6465  e>.<g id=\"a_node\n-00003d30: 3335 223e 3c61 2078 6c69 6e6b 3a68 7265  35\"><a xlink:hre\n-00003d40: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65  f=\"group__module\n-00003d50: 5f5f 636f 6d6d 616e 646c 696e 652e 7868  __commandline.xh\n-00003d60: 746d 6c22 2074 6172 6765 743d 225f 746f  tml\" target=\"_to\n-00003d70: 7022 2078 6c69 6e6b 3a74 6974 6c65 3d22  p\" xlink:title=\"\n-00003d80: 636f 6d6d 616e 646c 696e 6522 3e0a 3c65  commandline\">.<e\n-00003d90: 6c6c 6970 7365 2066 696c 6c3d 2223 6666  llipse fill=\"#ff\n-00003da0: 6534 6363 2220 7374 726f 6b65 3d22 626c  e4cc\" stroke=\"bl\n-00003db0: 6163 6b22 2063 783d 2231 3930 3422 2063  ack\" cx=\"1904\" c\n-00003dc0: 793d 222d 3932 2e33 3122 2072 783d 2235  y=\"-92.31\" rx=\"5\n-00003dd0: 322e 3135 2220 7279 3d22 3133 2e33 3722  2.15\" ry=\"13.37\"\n-00003de0: 2f3e 0a3c 7465 7874 2074 6578 742d 616e  />.<text text-an\n-00003df0: 6368 6f72 3d22 6d69 6464 6c65 2220 783d  chor=\"middle\" x=\n-00003e00: 2231 3930 3422 2079 3d22 2d38 392e 3831  \"1904\" y=\"-89.81\n-00003e10: 2220 666f 6e74 2d66 616d 696c 793d 2246  \" font-family=\"F\n-00003e20: 7265 6553 616e 7322 2066 6f6e 742d 7369  reeSans\" font-si\n-00003e30: 7a65 3d22 3130 2e30 3022 3e63 6f6d 6d61  ze=\"10.00\">comma\n-00003e40: 6e64 6c69 6e65 3c2f 7465 7874 3e0a 3c2f  ndline</text>.</\n-00003e50: 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d  a>.</g>.</g>.<!-\n-00003e60: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00003e70: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n-00003e80: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00003e90: 6f6d 6163 735f 636f 6d6d 616e 646c 696e  omacs_commandlin\n-00003ea0: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467  e -->.<g id=\"edg\n-00003eb0: 6531 2220 636c 6173 733d 2265 6467 6522  e1\" class=\"edge\"\n-00003ec0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00003ed0: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n-00003ee0: 6e26 2334 353b 2667 743b 6d6f 6475 6c65  n&#45;&gt;module\n-00003ef0: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d  _src_gromacs_com\n-00003f00: 6d61 6e64 6c69 6e65 3c2f 7469 746c 653e  mandline</title>\n-00003f10: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-00003f20: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n-00003f30: 6363 2220 643d 224d 3837 392e 3135 2c2d  cc\" d=\"M879.15,-\n-00003f40: 3130 3934 2e38 3843 3932 302e 3231 2c2d  1094.88C920.21,-\n-00003f50: 3130 3930 2e36 3320 3939 352e 3032 2c2d  1090.63 995.02,-\n-00003f60: 3130 3739 2e30 3920 3130 3531 2c2d 3130  1079.09 1051,-10\n-00003f70: 3438 2e37 3920 3131 3032 2e30 382c 2d31  48.79 1102.08,-1\n-00003f80: 3032 312e 3134 2031 3039 342e 3737 2c2d  021.14 1094.77,-\n-00003f90: 3938 362e 3431 2031 3134 362c 2d39 3539  986.41 1146,-959\n-00003fa0: 2e30 3520 3132 3039 2e35 332c 2d39 3235  .05 1209.53,-925\n-00003fb0: 2e31 3320 3132 3433 2e36 362c 2d39 3632  .13 1243.66,-962\n-00003fc0: 2e33 3720 3133 3034 2c2d 3932 332e 3035  .37 1304,-923.05\n-00003fd0: 2031 3331 362e 3437 2c2d 3931 342e 3932   1316.47,-914.92\n-00003fe0: 2031 3331 332e 3535 2c2d 3930 362e 3738   1313.55,-906.78\n-00003ff0: 2031 3332 342c 2d38 3936 2e31 3820 3133   1324,-896.18 13\n-00004000: 3432 2e34 382c 2d38 3737 2e34 3520 3133  42.48,-877.45 13\n-00004010: 3532 2e36 2c2d 3837 382e 3939 2031 3337  52.6,-878.99 137\n-00004020: 312c 2d38 3630 2e31 3820 3133 3935 2e32  1,-860.18 1395.2\n-00004030: 312c 2d38 3335 2e34 3320 3133 3937 2c2d  1,-835.43 1397,-\n-00004040: 3832 352e 3537 2031 3431 372c 2d37 3937  825.57 1417,-797\n-00004050: 2e33 3120 3134 3535 2e39 362c 2d37 3432  .31 1455.96,-742\n-00004060: 2e32 3420 3134 3635 2e31 362c 2d37 3238  .24 1465.16,-728\n-00004070: 2e30 3820 3135 3032 2c2d 3637 312e 3537  .08 1502,-671.57\n-00004080: 2031 3533 372e 3739 2c2d 3631 362e 3638   1537.79,-616.68\n-00004090: 2031 3534 362e 3739 2c2d 3630 322e 3920   1546.79,-602.9 \n-000040a0: 3135 3739 2c2d 3534 352e 3833 2031 3539  1579,-545.83 159\n-000040b0: 342e 3631 2c2d 3531 382e 3137 2031 3539  4.61,-518.17 159\n-000040c0: 382e 3133 2c2d 3531 312e 3033 2031 3631  8.13,-511.03 161\n-000040d0: 332c 2d34 3832 2e39 3620 3136 3932 2e39  3,-482.96 1692.9\n-000040e0: 372c 2d33 3331 2e39 3920 3136 3634 2e36  7,-331.99 1664.6\n-000040f0: 352c 2d32 3537 2e38 3220 3137 3930 2c2d  5,-257.82 1790,-\n-00004100: 3134 312e 3734 2031 3830 382e 392c 2d31  141.74 1808.9,-1\n-00004110: 3234 2e32 3420 3138 3335 2e30 372c 2d31  24.24 1835.07,-1\n-00004120: 3132 2e35 3120 3138 3537 2e35 372c 2d31  12.51 1857.57,-1\n-00004130: 3034 2e39 3922 2f3e 0a3c 706f 6c79 676f  04.99\"/>.<polygo\n-00004140: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n-00004150: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-00004160: 2220 706f 696e 7473 3d22 3138 3538 2e38  \" points=\"1858.8\n-00004170: 2c2d 3130 382e 3237 2031 3836 372e 3238  ,-108.27 1867.28\n-00004180: 2c2d 3130 312e 3932 2031 3835 362e 3639  ,-101.92 1856.69\n-00004190: 2c2d 3130 312e 3539 2031 3835 382e 382c  ,-101.59 1858.8,\n-000041a0: 2d31 3038 2e32 3722 2f3e 0a3c 2f67 3e0a  -108.27\"/>.</g>.\n-000041b0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-000041c0: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273  gromacs_modulars\n-000041d0: 696d 756c 6174 6f72 202d 2d3e 0a3c 6720  imulator -->.<g \n-000041e0: 6964 3d22 6e6f 6465 3337 2220 636c 6173  id=\"node37\" clas\n-000041f0: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65  s=\"node\">.<title\n-00004200: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00004210: 6163 735f 6d6f 6475 6c61 7273 696d 756c  acs_modularsimul\n-00004220: 6174 6f72 3c2f 7469 746c 653e 0a3c 6720  ator</title>.<g \n-00004230: 6964 3d22 615f 6e6f 6465 3337 223e 3c61  id=\"a_node37\"><a\n-00004240: 2078 6c69 6e6b 3a68 7265 663d 2267 726f   xlink:href=\"gro\n-00004250: 7570 5f5f 6d6f 6475 6c65 5f5f 6d6f 6475  up__module__modu\n-00004260: 6c61 7273 696d 756c 6174 6f72 2e78 6874  larsimulator.xht\n-00004270: 6d6c 2220 7461 7267 6574 3d22 5f74 6f70  ml\" target=\"_top\n-00004280: 2220 786c 696e 6b3a 7469 746c 653d 226d  \" xlink:title=\"m\n-00004290: 6f64 756c 6172 7369 6d75 6c61 746f 7222  odularsimulator\"\n-000042a0: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d  >.<ellipse fill=\n-000042b0: 2223 6535 6363 6666 2220 7374 726f 6b65  \"#e5ccff\" stroke\n-000042c0: 3d22 626c 6163 6b22 2063 783d 2236 3735  =\"black\" cx=\"675\n-000042d0: 2220 6379 3d22 2d38 3436 2e37 3522 2072  \" cy=\"-846.75\" r\n-000042e0: 783d 2236 352e 3131 2220 7279 3d22 3133  x=\"65.11\" ry=\"13\n-000042f0: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n-00004300: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n-00004310: 2220 783d 2236 3735 2220 793d 222d 3834  \" x=\"675\" y=\"-84\n-00004320: 342e 3235 2220 666f 6e74 2d66 616d 696c  4.25\" font-famil\n-00004330: 793d 2246 7265 6553 616e 7322 2066 6f6e  y=\"FreeSans\" fon\n-00004340: 742d 7369 7a65 3d22 3130 2e30 3022 3e6d  t-size=\"10.00\">m\n-00004350: 6f64 756c 6172 7369 6d75 6c61 746f 723c  odularsimulator<\n-00004360: 2f74 6578 743e 0a3c 2f61 3e0a 3c2f 673e  /text>.</a>.</g>\n-00004370: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00004380: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00004390: 7275 6e26 2334 353b 2667 743b 6d6f 6475  run&#45;&gt;modu\n-000043a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-000043b0: 6f64 756c 6172 7369 6d75 6c61 746f 7220  odularsimulator \n-000043c0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n-000043d0: 3122 2063 6c61 7373 3d22 6564 6765 223e  1\" class=\"edge\">\n-000043e0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-000043f0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n-00004400: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00004410: 7372 635f 6772 6f6d 6163 735f 6d6f 6475  src_gromacs_modu\n-00004420: 6c61 7273 696d 756c 6174 6f72 3c2f 7469  larsimulator</ti\n-00004430: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-00004440: 226e 6f6e 6522 2073 7472 6f6b 653d 2272  \"none\" stroke=\"r\n-00004450: 6564 2220 643d 224d 3831 392e 3532 2c2d  ed\" d=\"M819.52,-\n-00004460: 3130 3933 2e37 3843 3736 372e 3539 2c2d  1093.78C767.59,-\n-00004470: 3130 3835 2e34 3720 3636 332e 3033 2c2d  1085.47 663.03,-\n-00004480: 3130 3539 2e32 3920 3633 302c 2d39 3835  1059.29 630,-985\n-00004490: 2e39 3220 3631 322e 3039 2c2d 3934 362e  .92 612.09,-946.\n-000044a0: 3135 2036 3335 2e38 312c 2d38 3935 2e37  15 635.81,-895.7\n-000044b0: 3720 3635 352e 3331 2c2d 3836 382e 3136  7 655.31,-868.16\n-000044c0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-000044d0: 6c3d 2272 6564 2220 7374 726f 6b65 3d22  l=\"red\" stroke=\"\n-000044e0: 7265 6422 2070 6f69 6e74 733d 2236 3538  red\" points=\"658\n-000044f0: 2e32 312c 2d38 3730 2e31 3320 3636 312e  .21,-870.13 661.\n-00004500: 3434 2c2d 3836 302e 3033 2036 3532 2e36  44,-860.03 652.6\n-00004510: 322c 2d38 3635 2e39 3120 3635 382e 3231  2,-865.91 658.21\n-00004520: 2c2d 3837 302e 3133 222f 3e0a 3c2f 673e  ,-870.13\"/>.</g>\n-00004530: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00004540: 5f67 726f 6d61 6373 5f6d 6472 756e 7574  _gromacs_mdrunut\n-00004550: 696c 6974 7920 2d2d 3e0a 3c67 2069 643d  ility -->.<g id=\n-00004560: 226e 6f64 6533 3822 2063 6c61 7373 3d22  \"node38\" class=\"\n-00004570: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f  node\">.<title>mo\n-00004580: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00004590: 5f6d 6472 756e 7574 696c 6974 793c 2f74  _mdrunutility</t\n-000045a0: 6974 6c65 3e0a 3c67 2069 643d 2261 5f6e  itle>.<g id=\"a_n\n-000045b0: 6f64 6533 3822 3e3c 6120 786c 696e 6b3a  ode38\"><a xlink:\n-000045c0: 6872 6566 3d22 6772 6f75 705f 5f6d 6f64  href=\"group__mod\n-000045d0: 756c 655f 5f6d 6472 756e 7574 696c 6974  ule__mdrunutilit\n-000045e0: 792e 7868 746d 6c22 2074 6172 6765 743d  y.xhtml\" target=\n-000045f0: 225f 746f 7022 2078 6c69 6e6b 3a74 6974  \"_top\" xlink:tit\n-00004600: 6c65 3d22 6d64 7275 6e75 7469 6c69 7479  le=\"mdrunutility\n-00004610: 223e 0a3c 656c 6c69 7073 6520 6669 6c6c  \">.<ellipse fill\n-00004620: 3d22 2365 3563 6366 6622 2073 7472 6f6b  =\"#e5ccff\" strok\n-00004630: 653d 2262 6c61 636b 2220 6378 3d22 3133  e=\"black\" cx=\"13\n-00004640: 3539 2220 6379 3d22 2d35 3332 2e34 2220  59\" cy=\"-532.4\" \n-00004650: 7278 3d22 3437 2e32 3522 2072 793d 2231  rx=\"47.25\" ry=\"1\n-00004660: 332e 3337 222f 3e0a 3c74 6578 7420 7465  3.37\"/>.<text te\n-00004670: 7874 2d61 6e63 686f 723d 226d 6964 646c  xt-anchor=\"middl\n-00004680: 6522 2078 3d22 3133 3539 2220 793d 222d  e\" x=\"1359\" y=\"-\n-00004690: 3532 392e 3922 2066 6f6e 742d 6661 6d69  529.9\" font-fami\n-000046a0: 6c79 3d22 4672 6565 5361 6e73 2220 666f  ly=\"FreeSans\" fo\n-000046b0: 6e74 2d73 697a 653d 2231 302e 3030 223e  nt-size=\"10.00\">\n-000046c0: 6d64 7275 6e75 7469 6c69 7479 3c2f 7465  mdrunutility</te\n-000046d0: 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f  xt>.</a>.</g>.</\n-000046e0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-000046f0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n-00004700: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00004710: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n-00004720: 6e75 7469 6c69 7479 202d 2d3e 0a3c 6720  nutility -->.<g \n-00004730: 6964 3d22 6564 6765 3134 2220 636c 6173  id=\"edge14\" clas\n-00004740: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-00004750: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00004760: 6163 735f 6d64 7275 6e26 2334 353b 2667  acs_mdrun&#45;&g\n-00004770: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00004780: 6d61 6373 5f6d 6472 756e 7574 696c 6974  macs_mdrunutilit\n-00004790: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820  y</title>.<path \n-000047a0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-000047b0: 6b65 3d22 2332 3832 6663 6322 2064 3d22  ke=\"#282fcc\" d=\"\n-000047c0: 4d38 3737 2e37 352c 2d31 3039 322e 3839  M877.75,-1092.89\n-000047d0: 4339 3035 2e38 372c 2d31 3038 372e 3436  C905.87,-1087.46\n-000047e0: 2039 3437 2e37 382c 2d31 3037 352e 3339   947.78,-1075.39\n-000047f0: 2039 3734 2c2d 3130 3438 2e37 3920 3130   974,-1048.79 10\n-00004800: 3033 2e36 322c 2d31 3031 382e 3734 2039  03.62,-1018.74 9\n-00004810: 3732 2e38 332c 2d39 3836 2e33 3620 3130  72.83,-986.36 10\n-00004820: 3035 2c2d 3935 392e 3035 2031 3037 372e  05,-959.05 1077.\n-00004830: 3138 2c2d 3839 372e 3736 2031 3132 392e  18,-897.76 1129.\n-00004840: 3734 2c2d 3936 342e 3235 2031 3231 352c  74,-964.25 1215,\n-00004850: 2d39 3233 2e30 3520 3132 3331 2e31 322c  -923.05 1231.12,\n-00004860: 2d39 3135 2e32 3620 3132 3331 2e30 352c  -915.26 1231.05,\n-00004870: 2d39 3037 2e34 2031 3234 352c 2d38 3936  -907.4 1245,-896\n-00004880: 2e31 3820 3132 3636 2e33 342c 2d38 3739  .18 1266.34,-879\n-00004890: 2e30 3220 3132 3736 2e32 2c2d 3838 302e  .02 1276.2,-880.\n-000048a0: 3039 2031 3239 352c 2d38 3630 2e31 3820  09 1295,-860.18 \n-000048b0: 3133 3430 2e34 372c 2d38 3132 2e30 3220  1340.47,-812.02 \n-000048c0: 3133 3536 2e34 382c 2d37 3938 2e30 3420  1356.48,-798.04 \n-000048d0: 3133 3735 2c2d 3733 342e 3434 2031 3339  1375,-734.44 139\n-000048e0: 332e 3335 2c2d 3637 312e 3433 2031 3337  3.35,-671.43 137\n-000048f0: 312e 3637 2c2d 3539 332e 3437 2031 3336  1.67,-593.47 136\n-00004900: 322e 3035 2c2d 3535 352e 3833 222f 3e0a  2.05,-555.83\"/>.\n-00004910: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-00004920: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n-00004930: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n-00004940: 2231 3336 352e 342c 2d35 3534 2e37 3820  \"1365.4,-554.78 \n-00004950: 3133 3539 2e36 2c2d 3534 352e 3931 2031  1359.6,-545.91 1\n-00004960: 3335 382e 362c 2d35 3536 2e34 3620 3133  358.6,-556.46 13\n-00004970: 3635 2e34 2c2d 3535 342e 3738 222f 3e0a  65.4,-554.78\"/>.\n-00004980: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00004990: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973  _src_gromacs_lis\n-000049a0: 7465 645f 666f 7263 6573 202d 2d3e 0a3c  ted_forces -->.<\n-000049b0: 6720 6964 3d22 6e6f 6465 3339 2220 636c  g id=\"node39\" cl\n-000049c0: 6173 733d 226e 6f64 6522 3e0a 3c74 6974  ass=\"node\">.<tit\n-000049d0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-000049e0: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72  omacs_listed_for\n-000049f0: 6365 733c 2f74 6974 6c65 3e0a 3c67 2069  ces</title>.<g i\n-00004a00: 643d 2261 5f6e 6f64 6533 3922 3e3c 6120  d=\"a_node39\"><a \n-00004a10: 786c 696e 6b3a 6872 6566 3d22 6772 6f75  xlink:href=\"grou\n-00004a20: 705f 5f6d 6f64 756c 655f 5f6c 6973 7465  p__module__liste\n-00004a30: 645f 5f66 6f72 6365 732e 7868 746d 6c22  d__forces.xhtml\"\n-00004a40: 2074 6172 6765 743d 225f 746f 7022 2078   target=\"_top\" x\n-00004a50: 6c69 6e6b 3a74 6974 6c65 3d22 6c69 7374  link:title=\"list\n-00004a60: 6564 5f66 6f72 6365 7322 3e0a 3c65 6c6c  ed_forces\">.<ell\n-00004a70: 6970 7365 2066 696c 6c3d 2223 6535 6363  ipse fill=\"#e5cc\n-00004a80: 6666 2220 7374 726f 6b65 3d22 626c 6163  ff\" stroke=\"blac\n-00004a90: 6b22 2063 783d 2238 3030 2220 6379 3d22  k\" cx=\"800\" cy=\"\n-00004aa0: 2d32 3830 2e39 3222 2072 783d 2235 302e  -280.92\" rx=\"50.\n-00004ab0: 3832 2220 7279 3d22 3133 2e33 3722 2f3e  82\" ry=\"13.37\"/>\n-00004ac0: 0a3c 7465 7874 2074 6578 742d 616e 6368  .<text text-anch\n-00004ad0: 6f72 3d22 6d69 6464 6c65 2220 783d 2238  or=\"middle\" x=\"8\n-00004ae0: 3030 2220 793d 222d 3237 382e 3432 2220  00\" y=\"-278.42\" \n-00004af0: 666f 6e74 2d66 616d 696c 793d 2246 7265  font-family=\"Fre\n-00004b00: 6553 616e 7322 2066 6f6e 742d 7369 7a65  eSans\" font-size\n-00004b10: 3d22 3130 2e30 3022 3e6c 6973 7465 645f  =\"10.00\">listed_\n-00004b20: 666f 7263 6573 3c2f 7465 7874 3e0a 3c2f  forces</text>.</\n-00004b30: 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d  a>.</g>.</g>.<!-\n-00004b40: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00004b50: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n-00004b60: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00004b70: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72  omacs_listed_for\n-00004b80: 6365 7320 2d2d 3e0a 3c67 2069 643d 2265  ces -->.<g id=\"e\n-00004b90: 6467 6531 3322 2063 6c61 7373 3d22 6564  dge13\" class=\"ed\n-00004ba0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-00004bb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-00004bc0: 6472 756e 2623 3435 3b26 6774 3b6d 6f64  drun&#45;&gt;mod\n-00004bd0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00004be0: 6c69 7374 6564 5f66 6f72 6365 733c 2f74  listed_forces</t\n-00004bf0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-00004c00: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-00004c10: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n-00004c20: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n-00004c30: 643d 224d 3831 372e 3632 2c2d 3130 3937  d=\"M817.62,-1097\n-00004c40: 2e32 3443 3638 382e 3438 2c2d 3130 3937  .24C688.48,-1097\n-00004c50: 2e30 3220 3230 322e 3438 2c2d 3130 3933  .02 202.48,-1093\n-00004c60: 2e32 3220 3135 322c 2d31 3034 382e 3739  .22 152,-1048.79\n-00004c70: 2031 3236 2e33 382c 2d31 3032 362e 3234   126.38,-1026.24\n-00004c80: 2031 3337 2c2d 3130 3037 2e36 3120 3133   137,-1007.61 13\n-00004c90: 372c 2d39 3733 2e34 3920 3133 372c 2d39  7,-973.49 137,-9\n-00004ca0: 3733 2e34 3920 3133 372c 2d39 3733 2e34  73.49 137,-973.4\n-00004cb0: 3920 3133 372c 2d37 3230 2e30 3120 3133  9 137,-720.01 13\n-00004cc0: 372c 2d34 3838 2e34 2032 3636 2e39 322c  7,-488.4 266.92,\n-00004cd0: 2d34 3133 2e36 3920 3438 332c 2d33 3330  -413.69 483,-330\n-00004ce0: 2e33 3520 3536 382e 3035 2c2d 3239 372e  .35 568.05,-297.\n-00004cf0: 3535 2036 3733 2e39 392c 2d32 3836 2e38  55 673.99,-286.8\n-00004d00: 3920 3733 392e 332c 2d32 3833 2e34 3722  9 739.3,-283.47\"\n-00004d10: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00004d20: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-00004d30: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n-00004d40: 7473 3d22 3733 392e 362c 2d32 3836 2e39  ts=\"739.6,-286.9\n-00004d50: 3620 3734 392e 3432 2c2d 3238 322e 3938  6 749.42,-282.98\n-00004d60: 2037 3339 2e32 372c 2d32 3739 2e39 3720   739.27,-279.97 \n-00004d70: 3733 392e 362c 2d32 3836 2e39 3622 2f3e  739.6,-286.96\"/>\n-00004d80: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00004d90: 655f 7372 635f 6772 6f6d 6163 735f 696d  e_src_gromacs_im\n-00004da0: 6420 2d2d 3e0a 3c67 2069 643d 226e 6f64  d -->.<g id=\"nod\n-00004db0: 6534 3022 2063 6c61 7373 3d22 6e6f 6465  e40\" class=\"node\n-00004dc0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00004dd0: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64  _src_gromacs_imd\n-00004de0: 3c2f 7469 746c 653e 0a3c 6720 6964 3d22  </title>.<g id=\"\n-00004df0: 615f 6e6f 6465 3430 223e 3c61 2078 6c69  a_node40\"><a xli\n-00004e00: 6e6b 3a68 7265 663d 2267 726f 7570 5f5f  nk:href=\"group__\n-00004e10: 6d6f 6475 6c65 5f5f 696d 642e 7868 746d  module__imd.xhtm\n-00004e20: 6c22 2074 6172 6765 743d 225f 746f 7022  l\" target=\"_top\"\n-00004e30: 2078 6c69 6e6b 3a74 6974 6c65 3d22 696d   xlink:title=\"im\n-00004e40: 6422 3e0a 3c65 6c6c 6970 7365 2066 696c  d\">.<ellipse fil\n-00004e50: 6c3d 2223 6535 6363 6666 2220 7374 726f  l=\"#e5ccff\" stro\n-00004e60: 6b65 3d22 626c 6163 6b22 2063 783d 2231  ke=\"black\" cx=\"1\n-00004e70: 3630 3022 2063 793d 222d 3135 352e 3138  600\" cy=\"-155.18\n-00004e80: 2220 7278 3d22 3237 2220 7279 3d22 3133  \" rx=\"27\" ry=\"13\n-00004e90: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n-00004ea0: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n-00004eb0: 2220 783d 2231 3630 3022 2079 3d22 2d31  \" x=\"1600\" y=\"-1\n-00004ec0: 3532 2e36 3822 2066 6f6e 742d 6661 6d69  52.68\" font-fami\n-00004ed0: 6c79 3d22 4672 6565 5361 6e73 2220 666f  ly=\"FreeSans\" fo\n-00004ee0: 6e74 2d73 697a 653d 2231 302e 3030 223e  nt-size=\"10.00\">\n-00004ef0: 696d 643c 2f74 6578 743e 0a3c 2f61 3e0a  imd</text>.</a>.\n-00004f00: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d  </g>.</g>.<!-- m\n-00004f10: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00004f20: 735f 6d64 7275 6e26 2334 353b 2667 743b  s_mdrun&#45;&gt;\n-00004f30: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00004f40: 6373 5f69 6d64 202d 2d3e 0a3c 6720 6964  cs_imd -->.<g id\n-00004f50: 3d22 6564 6765 3138 2220 636c 6173 733d  =\"edge18\" class=\n-00004f60: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00004f70: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00004f80: 735f 6d64 7275 6e26 2334 353b 2667 743b  s_mdrun&#45;&gt;\n-00004f90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00004fa0: 6373 5f69 6d64 3c2f 7469 746c 653e 0a3c  cs_imd</title>.<\n-00004fb0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00004fc0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-00004fd0: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-00004fe0: 6179 3d22 352c 3222 2064 3d22 4d38 3739  ay=\"5,2\" d=\"M879\n-00004ff0: 2e32 332c 2d31 3039 342e 3543 3931 372e  .23,-1094.5C917.\n-00005000: 3238 2c2d 3130 3839 2e39 3420 3938 332e  28,-1089.94 983.\n-00005010: 3531 2c2d 3130 3738 2e31 3620 3130 3332  51,-1078.16 1032\n-00005020: 2c2d 3130 3438 2e37 3920 3130 3535 2e31  ,-1048.79 1055.1\n-00005030: 312c 2d31 3033 342e 3820 3130 3930 2e35  1,-1034.8 1090.5\n-00005040: 352c 2d39 3732 2e34 3620 3131 3134 2c2d  5,-972.46 1114,-\n-00005050: 3935 392e 3035 2031 3138 312e 3034 2c2d  959.05 1181.04,-\n-00005060: 3932 302e 3731 2031 3231 352e 3133 2c2d  920.71 1215.13,-\n-00005070: 3935 3820 3132 3834 2c2d 3932 332e 3035  958 1284,-923.05\n-00005080: 2031 3239 392e 3936 2c2d 3931 342e 3935   1299.96,-914.95\n-00005090: 2031 3330 302e 3534 2c2d 3930 372e 3938   1300.54,-907.98\n-000050a0: 2031 3331 342c 2d38 3936 2e31 3820 3133   1314,-896.18 13\n-000050b0: 3332 2e34 392c 2d38 3739 2e39 3820 3133  32.49,-879.98 13\n-000050c0: 3430 2c2d 3837 382e 3835 2031 3335 362c  40,-878.85 1356,\n-000050d0: 2d38 3630 2e31 3820 3133 3736 2e35 342c  -860.18 1376.54,\n-000050e0: 2d38 3336 2e32 3220 3135 3939 2e35 372c  -836.22 1599.57,\n-000050f0: 2d35 3230 2e32 3120 3136 3238 2c2d 3432  -520.21 1628,-42\n-00005100: 302e 3039 2031 3635 322e 3735 2c2d 3333  0.09 1652.75,-33\n-00005110: 322e 3931 2031 3632 322e 3934 2c2d 3232  2.91 1622.94,-22\n-00005120: 332e 3931 2031 3630 372e 382c 2d31 3738  3.91 1607.8,-178\n-00005130: 2e30 3822 2f3e 0a3c 706f 6c79 676f 6e20  .08\"/>.<polygon \n-00005140: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n-00005150: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-00005160: 706f 696e 7473 3d22 3136 3131 2e31 2c2d  points=\"1611.1,-\n-00005170: 3137 362e 3920 3136 3034 2e35 362c 2d31  176.9 1604.56,-1\n-00005180: 3638 2e35 3620 3136 3034 2e34 372c 2d31  68.56 1604.47,-1\n-00005190: 3739 2e31 3520 3136 3131 2e31 2c2d 3137  79.15 1611.1,-17\n-000051a0: 362e 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d  6.9\"/>.</g>.<!--\n-000051b0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-000051c0: 6163 735f 7261 6e64 6f6d 202d 2d3e 0a3c  acs_random -->.<\n-000051d0: 6720 6964 3d22 6e6f 6465 3431 2220 636c  g id=\"node41\" cl\n-000051e0: 6173 733d 226e 6f64 6522 3e0a 3c74 6974  ass=\"node\">.<tit\n-000051f0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00005200: 6f6d 6163 735f 7261 6e64 6f6d 3c2f 7469  omacs_random</ti\n-00005210: 746c 653e 0a3c 6720 6964 3d22 615f 6e6f  tle>.<g id=\"a_no\n-00005220: 6465 3431 223e 3c61 2078 6c69 6e6b 3a68  de41\"><a xlink:h\n-00005230: 7265 663d 2267 726f 7570 5f5f 6d6f 6475  ref=\"group__modu\n-00005240: 6c65 5f5f 7261 6e64 6f6d 2e78 6874 6d6c  le__random.xhtml\n-00005250: 2220 7461 7267 6574 3d22 5f74 6f70 2220  \" target=\"_top\" \n-00005260: 786c 696e 6b3a 7469 746c 653d 2272 616e  xlink:title=\"ran\n-00005270: 646f 6d22 3e0a 3c65 6c6c 6970 7365 2066  dom\">.<ellipse f\n-00005280: 696c 6c3d 2223 6666 6534 6363 2220 7374  ill=\"#ffe4cc\" st\n-00005290: 726f 6b65 3d22 626c 6163 6b22 2063 783d  roke=\"black\" cx=\n-000052a0: 2231 3833 3422 2063 793d 222d 3135 352e  \"1834\" cy=\"-155.\n-000052b0: 3138 2220 7278 3d22 3334 2e38 2220 7279  18\" rx=\"34.8\" ry\n-000052c0: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874  =\"13.37\"/>.<text\n-000052d0: 2074 6578 742d 616e 6368 6f72 3d22 6d69   text-anchor=\"mi\n-000052e0: 6464 6c65 2220 783d 2231 3833 3422 2079  ddle\" x=\"1834\" y\n-000052f0: 3d22 2d31 3532 2e36 3822 2066 6f6e 742d  =\"-152.68\" font-\n-00005300: 6661 6d69 6c79 3d22 4672 6565 5361 6e73  family=\"FreeSans\n-00005310: 2220 666f 6e74 2d73 697a 653d 2231 302e  \" font-size=\"10.\n-00005320: 3030 223e 7261 6e64 6f6d 3c2f 7465 7874  00\">random</text\n-00005330: 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e  >.</a>.</g>.</g>\n-00005340: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00005350: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n-00005360: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00005370: 635f 6772 6f6d 6163 735f 7261 6e64 6f6d  c_gromacs_random\n-00005380: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-00005390: 3235 2220 636c 6173 733d 2265 6467 6522  25\" class=\"edge\"\n-000053a0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-000053b0: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n-000053c0: 6e26 2334 353b 2667 743b 6d6f 6475 6c65  n&#45;&gt;module\n-000053d0: 5f73 7263 5f67 726f 6d61 6373 5f72 616e  _src_gromacs_ran\n-000053e0: 646f 6d3c 2f74 6974 6c65 3e0a 3c70 6174  dom</title>.<pat\n-000053f0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00005400: 726f 6b65 3d22 626c 6163 6b22 2073 7472  roke=\"black\" str\n-00005410: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-00005420: 2c32 2220 643d 224d 3837 392e 3532 2c2d  ,2\" d=\"M879.52,-\n-00005430: 3130 3935 2e33 4339 3432 2e38 342c 2d31  1095.3C942.84,-1\n-00005440: 3039 302e 3737 2031 3038 352e 3734 2c2d  090.77 1085.74,-\n-00005450: 3130 3737 2e35 3620 3131 3234 2c2d 3130  1077.56 1124,-10\n-00005460: 3438 2e37 3920 3131 3539 2e35 312c 2d31  48.79 1159.51,-1\n-00005470: 3032 322e 3120 3131 3333 2e32 312c 2d39  022.1 1133.21,-9\n-00005480: 3836 2e36 3720 3131 3638 2c2d 3935 392e  86.67 1168,-959.\n-00005490: 3035 2031 3232 332e 3733 2c2d 3931 342e  05 1223.73,-914.\n-000054a0: 3832 2031 3236 342e 3434 2c2d 3936 312e  82 1264.44,-961.\n-000054b0: 3938 2031 3332 342c 2d39 3233 2e30 3520  98 1324,-923.05 \n-000054c0: 3133 3336 2e34 362c 2d39 3134 2e39 3120  1336.46,-914.91 \n-000054d0: 3133 3332 2e34 2c2d 3930 352e 3531 2031  1332.4,-905.51 1\n-000054e0: 3334 342c 2d38 3936 2e31 3820 3133 3734  344,-896.18 1374\n-000054f0: 2e33 392c 2d38 3731 2e37 3620 3133 3933  .39,-871.76 1393\n-00005500: 2e33 322c 2d38 3834 2e32 3420 3134 3234  .32,-884.24 1424\n-00005510: 2c2d 3836 302e 3138 2031 3433 352e 3933  ,-860.18 1435.93\n-00005520: 2c2d 3835 302e 3833 2031 3433 332e 3638  ,-850.83 1433.68\n-00005530: 2c2d 3834 332e 3339 2031 3434 352c 2d38  ,-843.39 1445,-8\n-00005540: 3333 2e33 3120 3134 3637 2e39 342c 2d38  33.31 1467.94,-8\n-00005550: 3132 2e38 3820 3134 3835 2e34 382c 2d38  12.88 1485.48,-8\n-00005560: 3231 2e38 3120 3135 3034 2c2d 3739 372e  21.81 1504,-797.\n-00005570: 3331 2031 3532 382e 3937 2c2d 3736 342e  31 1528.97,-764.\n-00005580: 3238 2031 3530 382e 3337 2c2d 3734 332e  28 1508.37,-743.\n-00005590: 3437 2031 3532 392c 2d37 3037 2e35 3720  47 1529,-707.57 \n-000055a0: 3135 3430 2e31 322c 2d36 3838 2e32 3220  1540.12,-688.22 \n-000055b0: 3135 3532 2e38 382c 2d36 3930 2e39 3220  1552.88,-690.92 \n-000055c0: 3135 3634 2c2d 3637 312e 3537 2031 3538  1564,-671.57 158\n-000055d0: 342e 3633 2c2d 3633 352e 3637 2031 3536  4.63,-635.67 156\n-000055e0: 342e 372c 2d36 3135 2e33 3520 3135 3839  4.7,-615.35 1589\n-000055f0: 2c2d 3538 312e 3833 2031 3630 352e 3933  ,-581.83 1605.93\n-00005600: 2c2d 3535 382e 3438 2031 3632 312e 3633  ,-558.48 1621.63\n-00005610: 2c2d 3536 352e 3220 3136 3433 2c2d 3534  ,-565.2 1643,-54\n-00005620: 352e 3833 2031 3639 362e 3533 2c2d 3439  5.83 1696.53,-49\n-00005630: 372e 3332 2031 3731 302e 322c 2d34 3832  7.32 1710.2,-482\n-00005640: 2e38 3420 3137 3436 2c2d 3432 302e 3039  .84 1746,-420.09\n-00005650: 2031 3736 302e 3735 2c2d 3339 342e 3235   1760.75,-394.25\n-00005660: 2031 3735 392e 3331 2c2d 3338 352e 3335   1759.31,-385.35\n-00005670: 2031 3736 392c 2d33 3537 2e32 3220 3137   1769,-357.22 17\n-00005680: 3931 2e31 382c 2d32 3932 2e38 3220 3138  91.18,-292.82 18\n-00005690: 3135 2e33 382c 2d32 3136 2e30 3820 3138  15.38,-216.08 18\n-000056a0: 3237 2c2d 3137 382e 3738 222f 3e0a 3c70  27,-178.78\"/>.<p\n-000056b0: 6f6c 7967 6f6e 2066 696c 6c3d 2262 6c61  olygon fill=\"bla\n-000056c0: 636b 2220 7374 726f 6b65 3d22 626c 6163  ck\" stroke=\"blac\n-000056d0: 6b22 2070 6f69 6e74 733d 2231 3833 302e  k\" points=\"1830.\n-000056e0: 3433 2c2d 3137 392e 3532 2031 3833 302e  43,-179.52 1830.\n-000056f0: 3036 2c2d 3136 382e 3933 2031 3832 332e  06,-168.93 1823.\n-00005700: 3735 2c2d 3137 372e 3434 2031 3833 302e  75,-177.44 1830.\n-00005710: 3433 2c2d 3137 392e 3532 222f 3e0a 3c2f  43,-179.52\"/>.</\n-00005720: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00005730: 7263 5f67 726f 6d61 6373 5f65 7761 6c64  rc_gromacs_ewald\n-00005740: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465   -->.<g id=\"node\n-00005750: 3435 2220 636c 6173 733d 226e 6f64 6522  45\" class=\"node\"\n-00005760: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00005770: 7372 635f 6772 6f6d 6163 735f 6577 616c  src_gromacs_ewal\n-00005780: 643c 2f74 6974 6c65 3e0a 3c67 2069 643d  d</title>.<g id=\n-00005790: 2261 5f6e 6f64 6534 3522 3e3c 6120 786c  \"a_node45\"><a xl\n-000057a0: 696e 6b3a 6872 6566 3d22 6772 6f75 705f  ink:href=\"group_\n-000057b0: 5f6d 6f64 756c 655f 5f65 7761 6c64 2e78  _module__ewald.x\n-000057c0: 6874 6d6c 2220 7461 7267 6574 3d22 5f74  html\" target=\"_t\n-000057d0: 6f70 2220 786c 696e 6b3a 7469 746c 653d  op\" xlink:title=\n-000057e0: 2265 7761 6c64 223e 0a3c 656c 6c69 7073  \"ewald\">.<ellips\n-000057f0: 6520 6669 6c6c 3d22 2365 3563 6366 6622  e fill=\"#e5ccff\"\n-00005800: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n-00005810: 6378 3d22 3538 3122 2063 793d 222d 3135  cx=\"581\" cy=\"-15\n-00005820: 352e 3138 2220 7278 3d22 3238 2e39 3822  5.18\" rx=\"28.98\"\n-00005830: 2072 793d 2231 332e 3337 222f 3e0a 3c74   ry=\"13.37\"/>.<t\n-00005840: 6578 7420 7465 7874 2d61 6e63 686f 723d  ext text-anchor=\n-00005850: 226d 6964 646c 6522 2078 3d22 3538 3122  \"middle\" x=\"581\"\n-00005860: 2079 3d22 2d31 3532 2e36 3822 2066 6f6e   y=\"-152.68\" fon\n-00005870: 742d 6661 6d69 6c79 3d22 4672 6565 5361  t-family=\"FreeSa\n-00005880: 6e73 2220 666f 6e74 2d73 697a 653d 2231  ns\" font-size=\"1\n-00005890: 302e 3030 223e 6577 616c 643c 2f74 6578  0.00\">ewald</tex\n-000058a0: 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67  t>.</a>.</g>.</g\n-000058b0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-000058c0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26  c_gromacs_mdrun&\n-000058d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-000058e0: 7263 5f67 726f 6d61 6373 5f65 7761 6c64  rc_gromacs_ewald\n-000058f0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-00005900: 3922 2063 6c61 7373 3d22 6564 6765 223e  9\" class=\"edge\">\n-00005910: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00005920: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n-00005930: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00005940: 7372 635f 6772 6f6d 6163 735f 6577 616c  src_gromacs_ewal\n-00005950: 643c 2f74 6974 6c65 3e0a 3c70 6174 6820  d</title>.<path \n-00005960: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-00005970: 6b65 3d22 7265 6422 2064 3d22 4d38 3137  ke=\"red\" d=\"M817\n-00005980: 2e36 352c 2d31 3039 372e 3337 4336 3833  .65,-1097.37C683\n-00005990: 2e39 332c 2d31 3039 372e 3639 2031 3635  .93,-1097.69 165\n-000059a0: 2e36 392c 2d31 3039 352e 3837 2031 3132  .69,-1095.87 112\n-000059b0: 2c2d 3130 3438 2e37 3920 3836 2e33 342c  ,-1048.79 86.34,\n-000059c0: 2d31 3032 362e 3239 2039 372c 2d31 3030  -1026.29 97,-100\n-000059d0: 372e 3631 2039 372c 2d39 3733 2e34 3920  7.61 97,-973.49 \n-000059e0: 3937 2c2d 3937 332e 3439 2039 372c 2d39  97,-973.49 97,-9\n-000059f0: 3733 2e34 3920 3937 2c2d 3533 312e 3420  73.49 97,-531.4 \n-00005a00: 3937 2c2d 3339 382e 3632 2031 3235 2e33  97,-398.62 125.3\n-00005a10: 362c 2d33 3339 2e33 3620 3233 372c 2d32  6,-339.36 237,-2\n-00005a20: 3637 2e34 3820 3333 372e 3139 2c2d 3230  67.48 337.19,-20\n-00005a30: 322e 3937 2034 3737 2e39 362c 2d31 3732  2.97 477.96,-172\n-00005a40: 2e39 3320 3534 342e 3033 2c2d 3136 312e  .93 544.03,-161.\n-00005a50: 3731 222f 3e0a 3c70 6f6c 7967 6f6e 2066  71\"/>.<polygon f\n-00005a60: 696c 6c3d 2272 6564 2220 7374 726f 6b65  ill=\"red\" stroke\n-00005a70: 3d22 7265 6422 2070 6f69 6e74 733d 2235  =\"red\" points=\"5\n-00005a80: 3434 2e36 372c 2d31 3635 2e31 3520 3535  44.67,-165.15 55\n-00005a90: 332e 3937 2c2d 3136 302e 3037 2035 3433  3.97,-160.07 543\n-00005aa0: 2e35 332c 2d31 3538 2e32 3420 3534 342e  .53,-158.24 544.\n-00005ab0: 3637 2c2d 3136 352e 3135 222f 3e0a 3c2f  67,-165.15\"/>.</\n-00005ac0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00005ad0: 7263 5f67 726f 6d61 6373 5f66 696c 6569  rc_gromacs_filei\n-00005ae0: 6f20 2d2d 3e0a 3c67 2069 643d 226e 6f64  o -->.<g id=\"nod\n-00005af0: 6534 3622 2063 6c61 7373 3d22 6e6f 6465  e46\" class=\"node\n-00005b00: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00005b10: 5f73 7263 5f67 726f 6d61 6373 5f66 696c  _src_gromacs_fil\n-00005b20: 6569 6f3c 2f74 6974 6c65 3e0a 3c65 6c6c  eio</title>.<ell\n-00005b30: 6970 7365 2066 696c 6c3d 2223 6266 6266  ipse fill=\"#bfbf\n-00005b40: 6266 2220 7374 726f 6b65 3d22 626c 6163  bf\" stroke=\"blac\n-00005b50: 6b22 2063 783d 2231 3535 3522 2063 793d  k\" cx=\"1555\" cy=\n-00005b60: 222d 3930 392e 3632 2220 7278 3d22 3237  \"-909.62\" rx=\"27\n-00005b70: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c  \" ry=\"13.37\"/>.<\n-00005b80: 7465 7874 2074 6578 742d 616e 6368 6f72  text text-anchor\n-00005b90: 3d22 6d69 6464 6c65 2220 783d 2231 3535  =\"middle\" x=\"155\n-00005ba0: 3522 2079 3d22 2d39 3037 2e31 3222 2066  5\" y=\"-907.12\" f\n-00005bb0: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565  ont-family=\"Free\n-00005bc0: 5361 6e73 2220 666f 6e74 2d73 697a 653d  Sans\" font-size=\n-00005bd0: 2231 302e 3030 223e 6669 6c65 696f 3c2f  \"10.00\">fileio</\n-00005be0: 7465 7874 3e0a 3c2f 673e 0a3c 212d 2d20  text>.</g>.<!-- \n-00005bf0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00005c00: 6373 5f6d 6472 756e 2623 3435 3b26 6774  cs_mdrun&#45;&gt\n-00005c10: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00005c20: 6163 735f 6669 6c65 696f 202d 2d3e 0a3c  acs_fileio -->.<\n-00005c30: 6720 6964 3d22 6564 6765 3130 2220 636c  g id=\"edge10\" cl\n-00005c40: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00005c50: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00005c60: 6f6d 6163 735f 6d64 7275 6e26 2334 353b  omacs_mdrun&#45;\n-00005c70: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00005c80: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74  romacs_fileio</t\n-00005c90: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-00005ca0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-00005cb0: 2362 6662 6662 6622 2064 3d22 4d38 3739  #bfbfbf\" d=\"M879\n-00005cc0: 2e37 392c 2d31 3039 352e 3839 4339 3439  .79,-1095.89C949\n-00005cd0: 2e37 382c 2d31 3039 322e 3332 2031 3131  .78,-1092.32 111\n-00005ce0: 382e 3239 2c2d 3130 3830 2e35 3720 3131  8.29,-1080.57 11\n-00005cf0: 3634 2c2d 3130 3438 2e37 3920 3132 3031  64,-1048.79 1201\n-00005d00: 2e34 392c 2d31 3032 322e 3733 2031 3137  .49,-1022.73 117\n-00005d10: 362e 3336 2c2d 3938 342e 3920 3132 3134  6.36,-984.9 1214\n-00005d20: 2c2d 3935 392e 3035 2031 3233 382e 3832  ,-959.05 1238.82\n-00005d30: 2c2d 3934 322e 3031 2031 3433 352e 3638  ,-942.01 1435.68\n-00005d40: 2c2d 3932 312e 3820 3135 3138 2e34 392c  ,-921.8 1518.49,\n-00005d50: 2d39 3133 2e39 3622 2f3e 0a3c 706f 6c79  -913.96\"/>.<poly\n-00005d60: 676f 6e20 6669 6c6c 3d22 2362 6662 6662  gon fill=\"#bfbfb\n-00005d70: 6622 2073 7472 6f6b 653d 2223 6266 6266  f\" stroke=\"#bfbf\n-00005d80: 6266 2220 706f 696e 7473 3d22 3135 3139  bf\" points=\"1519\n-00005d90: 2e30 372c 2d39 3137 2e34 3220 3135 3238  .07,-917.42 1528\n-00005da0: 2e37 2c2d 3931 3320 3135 3138 2e34 322c  .7,-913 1518.42,\n-00005db0: 2d39 3130 2e34 3520 3135 3139 2e30 372c  -910.45 1519.07,\n-00005dc0: 2d39 3137 2e34 3222 2f3e 0a3c 2f67 3e0a  -917.42\"/>.</g>.\n-00005dd0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00005de0: 6772 6f6d 6163 735f 6170 706c 6965 645f  gromacs_applied_\n-00005df0: 666f 7263 6573 5f61 7768 202d 2d3e 0a3c  forces_awh -->.<\n-00005e00: 6720 6964 3d22 6e6f 6465 3438 2220 636c  g id=\"node48\" cl\n-00005e10: 6173 733d 226e 6f64 6522 3e0a 3c74 6974  ass=\"node\">.<tit\n-00005e20: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00005e30: 6f6d 6163 735f 6170 706c 6965 645f 666f  omacs_applied_fo\n-00005e40: 7263 6573 5f61 7768 3c2f 7469 746c 653e  rces_awh</title>\n-00005e50: 0a3c 6720 6964 3d22 615f 6e6f 6465 3438  .<g id=\"a_node48\n-00005e60: 223e 3c61 2078 6c69 6e6b 3a68 7265 663d  \"><a xlink:href=\n-00005e70: 2267 726f 7570 5f5f 6d6f 6475 6c65 5f5f  \"group__module__\n-00005e80: 6177 682e 7868 746d 6c22 2074 6172 6765  awh.xhtml\" targe\n-00005e90: 743d 225f 746f 7022 2078 6c69 6e6b 3a74  t=\"_top\" xlink:t\n-00005ea0: 6974 6c65 3d22 6177 6822 3e0a 3c65 6c6c  itle=\"awh\">.<ell\n-00005eb0: 6970 7365 2066 696c 6c3d 226e 6f6e 6522  ipse fill=\"none\"\n-00005ec0: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n-00005ed0: 6378 3d22 3136 3235 2220 6379 3d22 2d35  cx=\"1625\" cy=\"-5\n-00005ee0: 3935 2e32 3722 2072 783d 2232 3722 2072  95.27\" rx=\"27\" r\n-00005ef0: 793d 2231 332e 3337 222f 3e0a 3c74 6578  y=\"13.37\"/>.<tex\n-00005f00: 7420 7465 7874 2d61 6e63 686f 723d 226d  t text-anchor=\"m\n-00005f10: 6964 646c 6522 2078 3d22 3136 3235 2220  iddle\" x=\"1625\" \n-00005f20: 793d 222d 3539 322e 3737 2220 666f 6e74  y=\"-592.77\" font\n-00005f30: 2d66 616d 696c 793d 2246 7265 6553 616e  -family=\"FreeSan\n-00005f40: 7322 2066 6f6e 742d 7369 7a65 3d22 3130  s\" font-size=\"10\n-00005f50: 2e30 3022 3e61 7768 3c2f 7465 7874 3e0a  .00\">awh</text>.\n-00005f60: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c  </a>.</g>.</g>.<\n-00005f70: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-00005f80: 726f 6d61 6373 5f6d 6472 756e 2623 3435  romacs_mdrun&#45\n-00005f90: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00005fa0: 6772 6f6d 6163 735f 6170 706c 6965 645f  gromacs_applied_\n-00005fb0: 666f 7263 6573 5f61 7768 202d 2d3e 0a3c  forces_awh -->.<\n-00005fc0: 6720 6964 3d22 6564 6765 3622 2063 6c61  g id=\"edge6\" cla\n-00005fd0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00005fe0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00005ff0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n-00006000: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00006010: 6f6d 6163 735f 6170 706c 6965 645f 666f  omacs_applied_fo\n-00006020: 7263 6573 5f61 7768 3c2f 7469 746c 653e  rces_awh</title>\n-00006030: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-00006040: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n-00006050: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n-00006060: 7272 6179 3d22 352c 3222 2064 3d22 4d38  rray=\"5,2\" d=\"M8\n-00006070: 3739 2e36 352c 2d31 3039 352e 3635 4339  79.65,-1095.65C9\n-00006080: 3436 2e33 382c 2d31 3039 312e 3637 2031  46.38,-1091.67 1\n-00006090: 3130 322e 3137 2c2d 3130 3739 2e32 3920  102.17,-1079.29 \n-000060a0: 3131 3434 2c2d 3130 3438 2e37 3920 3131  1144,-1048.79 11\n-000060b0: 3830 2e32 322c 2d31 3032 322e 3339 2031  80.22,-1022.39 1\n-000060c0: 3135 342e 3639 2c2d 3938 362e 3635 2031  154.69,-986.65 1\n-000060d0: 3139 302c 2d39 3539 2e30 3520 3132 3435  190,-959.05 1245\n-000060e0: 2e33 382c 2d39 3135 2e37 3720 3132 3739  .38,-915.77 1279\n-000060f0: 2e31 342c 2d39 3530 2e31 3320 3133 3434  .14,-950.13 1344\n-00006100: 2c2d 3932 332e 3035 2031 3430 362e 3636  ,-923.05 1406.66\n-00006110: 2c2d 3839 362e 3839 2031 3631 392e 3735  ,-896.89 1619.75\n-00006120: 2c2d 3733 362e 3739 2031 3632 312c 2d37  ,-736.79 1621,-7\n-00006130: 3334 2e34 3420 3136 3430 2e36 372c 2d36  34.44 1640.67,-6\n-00006140: 3937 2e36 3620 3136 3335 2e34 372c 2d36  97.66 1635.47,-6\n-00006150: 3437 2e31 3320 3136 3330 2e31 312c 2d36  47.13 1630.11,-6\n-00006160: 3138 2e34 3822 2f3e 0a3c 706f 6c79 676f  18.48\"/>.<polygo\n-00006170: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n-00006180: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-00006190: 2220 706f 696e 7473 3d22 3136 3333 2e35  \" points=\"1633.5\n-000061a0: 332c 2d36 3137 2e37 3420 3136 3238 2e31  3,-617.74 1628.1\n-000061b0: 2c2d 3630 382e 3634 2031 3632 362e 3637  ,-608.64 1626.67\n-000061c0: 2c2d 3631 392e 3134 2031 3633 332e 3533  ,-619.14 1633.53\n-000061d0: 2c2d 3631 372e 3734 222f 3e0a 3c2f 673e  ,-617.74\"/>.</g>\n-000061e0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-000061f0: 5f67 726f 6d61 6373 5f61 7070 6c69 6564  _gromacs_applied\n-00006200: 5f66 6f72 6365 7326 2334 353b 2667 743b  _forces&#45;&gt;\n-00006210: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00006220: 6373 5f6f 7074 696f 6e73 202d 2d3e 0a3c  cs_options -->.<\n-00006230: 6720 6964 3d22 6564 6765 3239 2220 636c  g id=\"edge29\" cl\n-00006240: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00006250: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00006260: 6f6d 6163 735f 6170 706c 6965 645f 666f  omacs_applied_fo\n-00006270: 7263 6573 2623 3435 3b26 6774 3b6d 6f64  rces&#45;&gt;mod\n-00006280: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00006290: 6f70 7469 6f6e 733c 2f74 6974 6c65 3e0a  options</title>.\n-000062a0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-000062b0: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n-000062c0: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-000062d0: 793d 2235 2c32 2220 643d 224d 3235 392e  y=\"5,2\" d=\"M259.\n-000062e0: 3935 2c2d 3130 3232 2e38 3143 3234 362e  95,-1022.81C246.\n-000062f0: 3334 2c2d 3130 3134 2e33 3120 3232 392e  34,-1014.31 229.\n-00006300: 3331 2c2d 3130 3031 2e35 3420 3231 392c  31,-1001.54 219,\n-00006310: 2d39 3835 2e39 3220 3139 392e 3932 2c2d  -985.92 199.92,-\n-00006320: 3935 372e 3032 2031 3939 2c2d 3934 352e  957.02 199,-945.\n-00006330: 3235 2031 3939 2c2d 3931 302e 3632 2031  25 199,-910.62 1\n-00006340: 3939 2c2d 3931 302e 3632 2031 3939 2c2d  99,-910.62 199,-\n-00006350: 3931 302e 3632 2031 3939 2c2d 3738 322e  910.62 199,-782.\n-00006360: 3838 2031 3939 2c2d 3533 322e 3039 2031  88 199,-532.09 1\n-00006370: 3737 2c2d 3436 392e 3833 2031 3737 2c2d  77,-469.83 177,-\n-00006380: 3231 392e 3035 2031 3737 2c2d 3231 392e  219.05 177,-219.\n-00006390: 3035 2031 3737 2c2d 3231 392e 3035 2031  05 177,-219.05 1\n-000063a0: 3737 2c2d 3135 342e 3138 2031 3737 2c31  77,-154.18 177,1\n-000063b0: 322e 3737 2033 3739 2e32 332c 2d39 382e  2.77 379.23,-98.\n-000063c0: 3635 2035 3435 2c2d 3738 2e38 3720 3830  65 545,-78.87 80\n-000063d0: 382e 3431 2c2d 3437 2e34 3520 3136 3536  8.41,-47.45 1656\n-000063e0: 2e36 322c 2d33 332e 3837 2031 3835 392e  .62,-33.87 1859.\n-000063f0: 3931 2c2d 3331 2e30 3222 2f3e 0a3c 706f  91,-31.02\"/>.<po\n-00006400: 6c79 676f 6e20 6669 6c6c 3d22 626c 6163  lygon fill=\"blac\n-00006410: 6b22 2073 7472 6f6b 653d 2262 6c61 636b  k\" stroke=\"black\n-00006420: 2220 706f 696e 7473 3d22 3138 3630 2e32  \" points=\"1860.2\n-00006430: 352c 2d33 342e 3532 2031 3837 302e 322c  5,-34.52 1870.2,\n-00006440: 2d33 302e 3838 2031 3836 302e 3135 2c2d  -30.88 1860.15,-\n-00006450: 3237 2e35 3220 3138 3630 2e32 352c 2d33  27.52 1860.25,-3\n-00006460: 342e 3532 222f 3e0a 3c2f 673e 0a3c 212d  4.52\"/>.</g>.<!-\n-00006470: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00006480: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n-00006490: 6365 7326 2334 353b 2667 743b 6d6f 6475  ces&#45;&gt;modu\n-000064a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64  le_src_gromacs_d\n-000064b0: 6f6d 6465 6320 2d2d 3e0a 3c67 2069 643d  omdec -->.<g id=\n-000064c0: 2265 6467 6533 3222 2063 6c61 7373 3d22  \"edge32\" class=\"\n-000064d0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-000064e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-000064f0: 5f61 7070 6c69 6564 5f66 6f72 6365 7326  _applied_forces&\n-00006500: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00006510: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465  rc_gromacs_domde\n-00006520: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820  c</title>.<path \n-00006530: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-00006540: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n-00006550: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-00006560: 2c32 2220 643d 224d 3332 362e 3834 2c2d  ,2\" d=\"M326.84,-\n-00006570: 3130 3237 2e34 3343 3430 352e 3435 2c2d  1027.43C405.45,-\n-00006580: 3130 3135 2e35 3620 3536 342e 392c 2d39  1015.56 564.9,-9\n-00006590: 3931 2e34 3820 3634 312e 332c 2d39 3739  91.48 641.3,-979\n-000065a0: 2e39 3322 2f3e 0a3c 706f 6c79 676f 6e20  .93\"/>.<polygon \n-000065b0: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n-000065c0: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-000065d0: 706f 696e 7473 3d22 3634 322e 3135 2c2d  points=\"642.15,-\n-000065e0: 3938 332e 3335 2036 3531 2e35 322c 2d39  983.35 651.52,-9\n-000065f0: 3738 2e33 3920 3634 312e 3131 2c2d 3937  78.39 641.11,-97\n-00006600: 362e 3433 2036 3432 2e31 352c 2d39 3833  6.43 642.15,-983\n-00006610: 2e33 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .35\"/>.</g>.<!--\n-00006620: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-00006630: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n-00006640: 6573 2623 3435 3b26 6774 3b6d 6f64 756c  es&#45;&gt;modul\n-00006650: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00006660: 6c69 6220 2d2d 3e0a 3c67 2069 643d 2265  lib -->.<g id=\"e\n-00006670: 6467 6533 3122 2063 6c61 7373 3d22 6564  dge31\" class=\"ed\n-00006680: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-00006690: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61  le_src_gromacs_a\n-000066a0: 7070 6c69 6564 5f66 6f72 6365 7326 2334  pplied_forces&#4\n-000066b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-000066c0: 5f67 726f 6d61 6373 5f6d 646c 6962 3c2f  _gromacs_mdlib</\n-000066d0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-000066e0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-000066f0: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-00006700: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n-00006710: 2064 3d22 4d32 3837 2e39 332c 2d31 3032   d=\"M287.93,-102\n-00006720: 312e 3936 4332 3933 2e30 332c 2d31 3031  1.96C293.03,-101\n-00006730: 322e 3338 2032 3939 2e37 382c 2d39 3938  2.38 299.78,-998\n-00006740: 2e36 3520 3330 342c 2d39 3835 2e39 3220  .65 304,-985.92 \n-00006750: 3331 342e 3733 2c2d 3935 332e 3533 2033  314.73,-953.53 3\n-00006760: 3139 2c2d 3934 342e 3734 2033 3139 2c2d  19,-944.74 319,-\n-00006770: 3931 302e 3632 2033 3139 2c2d 3931 302e  910.62 319,-910.\n-00006780: 3632 2033 3139 2c2d 3931 302e 3632 2033  62 319,-910.62 3\n-00006790: 3139 2c2d 3738 322e 3838 2033 3139 2c2d  19,-782.88 319,-\n-000067a0: 3639 352e 3320 3334 342e 3332 2c2d 3437  695.3 344.32,-47\n-000067b0: 342e 3036 2033 3738 2c2d 3339 332e 3232  4.06 378,-393.22\n-000067c0: 2034 3130 2e30 332c 2d33 3136 2e33 3220   410.03,-316.32 \n-000067d0: 3433 372e 382c 2d32 3933 2e32 3920 3531  437.8,-293.29 51\n-000067e0: 372c 2d32 3637 2e34 3820 3634 322e 3136  7,-267.48 642.16\n-000067f0: 2c2d 3232 362e 3639 2031 3035 332e 3637  ,-226.69 1053.67\n-00006800: 2c2d 3232 302e 3235 2031 3138 312e 3636  ,-220.25 1181.66\n-00006810: 2c2d 3231 392e 3234 222f 3e0a 3c70 6f6c  ,-219.24\"/>.<pol\n-00006820: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n-00006830: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n-00006840: 6663 6322 2070 6f69 6e74 733d 2231 3138  fcc\" points=\"118\n-00006850: 312e 382c 2d32 3232 2e37 3420 3131 3931  1.8,-222.74 1191\n-00006860: 2e37 372c 2d32 3139 2e31 3620 3131 3831  .77,-219.16 1181\n-00006870: 2e37 342c 2d32 3135 2e37 3420 3131 3831  .74,-215.74 1181\n-00006880: 2e38 2c2d 3232 322e 3734 222f 3e0a 3c2f  .8,-222.74\"/>.</\n-00006890: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-000068a0: 7263 5f67 726f 6d61 6373 5f67 6d78 7072  rc_gromacs_gmxpr\n-000068b0: 6570 726f 6365 7373 202d 2d3e 0a3c 6720  eprocess -->.<g \n-000068c0: 6964 3d22 6e6f 6465 3232 2220 636c 6173  id=\"node22\" clas\n-000068d0: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65  s=\"node\">.<title\n-000068e0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-000068f0: 6163 735f 676d 7870 7265 7072 6f63 6573  acs_gmxpreproces\n-00006900: 733c 2f74 6974 6c65 3e0a 3c65 6c6c 6970  s</title>.<ellip\n-00006910: 7365 2066 696c 6c3d 2223 6266 6266 6266  se fill=\"#bfbfbf\n-00006920: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n-00006930: 2063 783d 2231 3835 3622 2063 793d 222d   cx=\"1856\" cy=\"-\n-00006940: 3131 3631 2e31 2220 7278 3d22 3538 2e38  1161.1\" rx=\"58.8\n-00006950: 3822 2072 793d 2231 332e 3337 222f 3e0a  8\" ry=\"13.37\"/>.\n-00006960: 3c74 6578 7420 7465 7874 2d61 6e63 686f  <text text-ancho\n-00006970: 723d 226d 6964 646c 6522 2078 3d22 3138  r=\"middle\" x=\"18\n-00006980: 3536 2220 793d 222d 3131 3538 2e36 2220  56\" y=\"-1158.6\" \n-00006990: 666f 6e74 2d66 616d 696c 793d 2246 7265  font-family=\"Fre\n-000069a0: 6553 616e 7322 2066 6f6e 742d 7369 7a65  eSans\" font-size\n-000069b0: 3d22 3130 2e30 3022 3e67 6d78 7072 6570  =\"10.00\">gmxprep\n-000069c0: 726f 6365 7373 3c2f 7465 7874 3e0a 3c2f  rocess</text>.</\n-000069d0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-000069e0: 7263 5f67 726f 6d61 6373 5f61 7070 6c69  rc_gromacs_appli\n-000069f0: 6564 5f66 6f72 6365 7326 2334 353b 2667  ed_forces&#45;&g\n-00006a00: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00006a10: 6d61 6373 5f67 6d78 7072 6570 726f 6365  macs_gmxpreproce\n-00006a20: 7373 202d 2d3e 0a3c 6720 6964 3d22 6564  ss -->.<g id=\"ed\n-00006a30: 6765 3335 2220 636c 6173 733d 2265 6467  ge35\" class=\"edg\n-00006a40: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00006a50: 655f 7372 635f 6772 6f6d 6163 735f 6170  e_src_gromacs_ap\n-00006a60: 706c 6965 645f 666f 7263 6573 2623 3435  plied_forces&#45\n-00006a70: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00006a80: 6772 6f6d 6163 735f 676d 7870 7265 7072  gromacs_gmxprepr\n-00006a90: 6f63 6573 733c 2f74 6974 6c65 3e0a 3c70  ocess</title>.<p\n-00006aa0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00006ab0: 7374 726f 6b65 3d22 2332 6363 6332 3822  stroke=\"#2ccc28\"\n-00006ac0: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-00006ad0: 793d 2235 2c32 2220 643d 224d 3332 312e  y=\"5,2\" d=\"M321.\n-00006ae0: 3739 2c2d 3130 3434 2e37 3243 3430 312e  79,-1044.72C401.\n-00006af0: 3932 2c2d 3130 3630 2e37 3720 3538 352e  92,-1060.77 585.\n-00006b00: 3639 2c2d 3130 3935 2e37 3220 3734 322c  69,-1095.72 742,\n-00006b10: 2d31 3131 312e 3636 2031 3133 362e 3137  -1111.66 1136.17\n-00006b20: 2c2d 3131 3531 2e38 3620 3136 3132 2e31  ,-1151.86 1612.1\n-00006b30: 342c 2d31 3135 382e 3734 2031 3738 372e  4,-1158.74 1787.\n-00006b40: 3135 2c2d 3131 3539 2e38 3822 2f3e 0a3c  15,-1159.88\"/>.<\n-00006b50: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n-00006b60: 6363 6332 3822 2073 7472 6f6b 653d 2223  ccc28\" stroke=\"#\n-00006b70: 3263 6363 3238 2220 706f 696e 7473 3d22  2ccc28\" points=\"\n-00006b80: 3137 3837 2e32 322c 2d31 3136 332e 3338  1787.22,-1163.38\n-00006b90: 2031 3739 372e 3235 2c2d 3131 3539 2e39   1797.25,-1159.9\n-00006ba0: 3520 3137 3837 2e32 372c 2d31 3135 362e  5 1787.27,-1156.\n-00006bb0: 3338 2031 3738 372e 3232 2c2d 3131 3633  38 1787.22,-1163\n-00006bc0: 2e33 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .38\"/>.</g>.<!--\n-00006bd0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-00006be0: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n-00006bf0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c  es&#45;&gt;modul\n-00006c00: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n-00006c10: 6d70 6174 202d 2d3e 0a3c 6720 6964 3d22  mpat -->.<g id=\"\n-00006c20: 6564 6765 3336 2220 636c 6173 733d 2265  edge36\" class=\"e\n-00006c30: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-00006c40: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00006c50: 6170 706c 6965 645f 666f 7263 6573 2623  applied_forces&#\n-00006c60: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00006c70: 635f 6772 6f6d 6163 735f 636f 6d70 6174  c_gromacs_compat\n-00006c80: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00006c90: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00006ca0: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n-00006cb0: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-00006cc0: 3222 2064 3d22 4d32 3830 2e36 362c 2d31  2\" d=\"M280.66,-1\n-00006cd0: 3032 312e 3731 4332 3830 2e30 392c 2d39  021.71C280.09,-9\n-00006ce0: 3939 2e33 3220 3237 392c 2d39 3531 2e32  99.32 279,-951.2\n-00006cf0: 3220 3237 392c 2d39 3130 2e36 3220 3237  2 279,-910.62 27\n-00006d00: 392c 2d39 3130 2e36 3220 3237 392c 2d39  9,-910.62 279,-9\n-00006d10: 3130 2e36 3220 3237 392c 2d37 3832 2e38  10.62 279,-782.8\n-00006d20: 3820 3237 392c 2d37 3130 2e32 3420 3235  8 279,-710.24 25\n-00006d30: 362e 3839 2c2d 3532 372e 3134 2032 3732  6.89,-527.14 272\n-00006d40: 2c2d 3435 362e 3039 2032 3834 2e37 322c  ,-456.09 284.72,\n-00006d50: 2d33 3936 2e32 3520 3238 372e 3933 2c2d  -396.25 287.93,-\n-00006d60: 3337 362e 3537 2033 3238 2c2d 3333 302e  376.57 328,-330.\n-00006d70: 3335 2034 3431 2e33 332c 2d31 3939 2e36  35 441.33,-199.6\n-00006d80: 3320 3636 312e 3835 2c2d 3136 362e 3932  3 661.85,-166.92\n-00006d90: 2037 3535 2e38 352c 2d31 3538 2e38 3122   755.85,-158.81\"\n-00006da0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00006db0: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-00006dc0: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n-00006dd0: 7473 3d22 3735 362e 3139 2c2d 3136 322e  ts=\"756.19,-162.\n-00006de0: 3320 3736 352e 3837 2c2d 3135 3820 3735  3 765.87,-158 75\n-00006df0: 352e 3632 2c2d 3135 352e 3332 2037 3536  5.62,-155.32 756\n-00006e00: 2e31 392c 2d31 3632 2e33 222f 3e0a 3c2f  .19,-162.3\"/>.</\n-00006e10: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00006e20: 7263 5f67 726f 6d61 6373 5f6d 6473 7061  rc_gromacs_mdspa\n-00006e30: 6e20 2d2d 3e0a 3c67 2069 643d 226e 6f64  n -->.<g id=\"nod\n-00006e40: 6533 3022 2063 6c61 7373 3d22 6e6f 6465  e30\" class=\"node\n-00006e50: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00006e60: 5f73 7263 5f67 726f 6d61 6373 5f6d 6473  _src_gromacs_mds\n-00006e70: 7061 6e3c 2f74 6974 6c65 3e0a 3c65 6c6c  pan</title>.<ell\n-00006e80: 6970 7365 2066 696c 6c3d 2223 6266 6266  ipse fill=\"#bfbf\n-00006e90: 6266 2220 7374 726f 6b65 3d22 626c 6163  bf\" stroke=\"blac\n-00006ea0: 6b22 2063 783d 2231 3437 3122 2063 793d  k\" cx=\"1471\" cy=\n-00006eb0: 222d 3932 2e33 3122 2072 783d 2233 362e  \"-92.31\" rx=\"36.\n-00006ec0: 3132 2220 7279 3d22 3133 2e33 3722 2f3e  12\" ry=\"13.37\"/>\n-00006ed0: 0a3c 7465 7874 2074 6578 742d 616e 6368  .<text text-anch\n-00006ee0: 6f72 3d22 6d69 6464 6c65 2220 783d 2231  or=\"middle\" x=\"1\n-00006ef0: 3437 3122 2079 3d22 2d38 392e 3831 2220  471\" y=\"-89.81\" \n-00006f00: 666f 6e74 2d66 616d 696c 793d 2246 7265  font-family=\"Fre\n-00006f10: 6553 616e 7322 2066 6f6e 742d 7369 7a65  eSans\" font-size\n-00006f20: 3d22 3130 2e30 3022 3e6d 6473 7061 6e3c  =\"10.00\">mdspan<\n-00006f30: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d  /text>.</g>.<!--\n-00006f40: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-00006f50: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n-00006f60: 6573 2623 3435 3b26 6774 3b6d 6f64 756c  es&#45;&gt;modul\n-00006f70: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00006f80: 7370 616e 202d 2d3e 0a3c 6720 6964 3d22  span -->.<g id=\"\n-00006f90: 6564 6765 3338 2220 636c 6173 733d 2265  edge38\" class=\"e\n-00006fa0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-00006fb0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00006fc0: 6170 706c 6965 645f 666f 7263 6573 2623  applied_forces&#\n-00006fd0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00006fe0: 635f 6772 6f6d 6163 735f 6d64 7370 616e  c_gromacs_mdspan\n-00006ff0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00007000: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00007010: 653d 2272 6564 2220 643d 224d 3236 352e  e=\"red\" d=\"M265.\n-00007020: 3034 2c2d 3130 3232 2e31 4332 3534 2e35  04,-1022.1C254.5\n-00007030: 392c 2d31 3031 332e 3139 2032 3431 2e35  9,-1013.19 241.5\n-00007040: 322c 2d31 3030 302e 3234 2032 3334 2c2d  2,-1000.24 234,-\n-00007050: 3938 352e 3932 2032 3138 2e31 342c 2d39  985.92 218.14,-9\n-00007060: 3535 2e37 3120 3231 392c 2d39 3434 2e37  55.71 219,-944.7\n-00007070: 3420 3231 392c 2d39 3130 2e36 3220 3231  4 219,-910.62 21\n-00007080: 392c 2d39 3130 2e36 3220 3231 392c 2d39  9,-910.62 219,-9\n-00007090: 3130 2e36 3220 3231 392c 2d37 3832 2e38  10.62 219,-782.8\n-000070a0: 3820 3231 392c 2d37 3333 2e33 3920 3232  8 219,-733.39 22\n-000070b0: 312e 3333 2c2d 3732 312e 3035 2032 3232  1.33,-721.05 222\n-000070c0: 2c2d 3637 312e 3537 2032 3232 2e31 362c  ,-671.57 222.16,\n-000070d0: 2d36 3539 2e36 3320 3232 322e 3539 2c2d  -659.63 222.59,-\n-000070e0: 3635 362e 3633 2032 3232 2c2d 3634 342e  656.63 222,-644.\n-000070f0: 3720 3231 382e 3434 2c2d 3537 322e 3535  7 218.44,-572.55\n-00007100: 2032 3131 2e38 352c 2d35 3534 2e39 3620   211.85,-554.96 \n-00007110: 3230 362c 2d34 3832 2e39 3620 3230 332e  206,-482.96 203.\n-00007120: 3733 2c2d 3435 352e 3035 2032 3033 2e33  73,-455.05 203.3\n-00007130: 332c 2d34 3438 2e30 3620 3230 322c 2d34  3,-448.06 202,-4\n-00007140: 3230 2e30 3920 3230 302e 312c 2d33 3830  20.09 200.1,-380\n-00007150: 2e32 3420 3139 322e 3737 2c2d 3336 392e  .24 192.77,-369.\n-00007160: 3538 2032 3030 2c2d 3333 302e 3335 2032  58 200,-330.35 2\n-00007170: 3136 2e32 372c 2d32 3432 2e31 3120 3139  16.27,-242.11 19\n-00007180: 392e 3134 2c2d 3139 342e 3131 2032 3732  9.14,-194.11 272\n-00007190: 2c2d 3134 312e 3734 2033 3139 2e35 392c  ,-141.74 319.59,\n-000071a0: 2d31 3037 2e35 3320 3132 3130 2e33 322c  -107.53 1210.32,\n-000071b0: 2d39 362e 3033 2031 3432 342e 3832 2c2d  -96.03 1424.82,-\n-000071c0: 3933 2e37 3622 2f3e 0a3c 706f 6c79 676f  93.76\"/>.<polygo\n-000071d0: 6e20 6669 6c6c 3d22 7265 6422 2073 7472  n fill=\"red\" str\n-000071e0: 6f6b 653d 2272 6564 2220 706f 696e 7473  oke=\"red\" points\n-000071f0: 3d22 3134 3235 2e31 342c 2d39 372e 3235  =\"1425.14,-97.25\n-00007200: 2031 3433 352e 312c 2d39 332e 3635 2031   1435.1,-93.65 1\n-00007210: 3432 352e 3036 2c2d 3930 2e32 3520 3134  425.06,-90.25 14\n-00007220: 3235 2e31 342c 2d39 372e 3235 222f 3e0a  25.14,-97.25\"/>.\n-00007230: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00007240: 5f73 7263 5f67 726f 6d61 6373 5f61 7070  _src_gromacs_app\n-00007250: 6c69 6564 5f66 6f72 6365 7326 2334 353b  lied_forces&#45;\n-00007260: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00007270: 726f 6d61 6373 5f67 6d78 6c69 6220 2d2d  romacs_gmxlib --\n-00007280: 3e0a 3c67 2069 643d 2265 6467 6533 3022  >.<g id=\"edge30\"\n-00007290: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-000072a0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-000072b0: 5f67 726f 6d61 6373 5f61 7070 6c69 6564  _gromacs_applied\n-000072c0: 5f66 6f72 6365 7326 2334 353b 2667 743b  _forces&#45;&gt;\n-000072d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000072e0: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65  cs_gmxlib</title\n-000072f0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00007300: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n-00007310: 6662 6622 2064 3d22 4d33 3336 2e39 382c  fbf\" d=\"M336.98,\n-00007320: 2d31 3033 3343 3432 342e 3739 2c2d 3130  -1033C424.79,-10\n-00007330: 3239 2e38 3720 3539 392e 3737 2c2d 3130  29.87 599.77,-10\n-00007340: 3139 2e35 3720 3734 342c 2d39 3835 2e39  19.57 744,-985.9\n-00007350: 3220 3736 332e 3631 2c2d 3938 312e 3334  2 763.61,-981.34\n-00007360: 2038 3936 2e35 392c 2d39 3333 2e31 3720   896.59,-933.17 \n-00007370: 3931 342c 2d39 3233 2e30 3520 3933 302e  914,-923.05 930.\n-00007380: 3036 2c2d 3931 332e 3732 2039 3330 2e32  06,-913.72 930.2\n-00007390: 2c2d 3930 352e 3935 2039 3436 2c2d 3839  ,-905.95 946,-89\n-000073a0: 362e 3138 2031 3030 352e 3734 2c2d 3835  6.18 1005.74,-85\n-000073b0: 392e 3234 2031 3032 362e 3136 2c2d 3836  9.24 1026.16,-86\n-000073c0: 302e 3333 2031 3039 312c 2d38 3333 2e33  0.33 1091,-833.3\n-000073d0: 3120 3131 3330 2e37 372c 2d38 3136 2e37  1 1130.77,-816.7\n-000073e0: 3420 3131 3435 2e39 382c 2d38 3232 2e34  4 1145.98,-822.4\n-000073f0: 2031 3138 312c 2d37 3937 2e33 3120 3131   1181,-797.31 11\n-00007400: 3933 2e37 382c 2d37 3838 2e31 3620 3131  93.78,-788.16 11\n-00007410: 3931 2e39 312c 2d37 3830 2e34 3820 3132  91.91,-780.48 12\n-00007420: 3034 2c2d 3737 302e 3434 2031 3232 302e  04,-770.44 1220.\n-00007430: 3436 2c2d 3735 362e 3738 2031 3234 312e  46,-756.78 1241.\n-00007440: 3237 2c2d 3734 342e 3734 2031 3235 382e  27,-744.74 1258.\n-00007450: 3036 2c2d 3733 362e 3039 222f 3e0a 3c70  06,-736.09\"/>.<p\n-00007460: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n-00007470: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n-00007480: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n-00007490: 3236 302e 3035 2c2d 3733 392e 3031 2031  260.05,-739.01 1\n-000074a0: 3236 372e 3432 2c2d 3733 312e 3420 3132  267.42,-731.4 12\n-000074b0: 3536 2e39 312c 2d37 3332 2e37 3520 3132  56.91,-732.75 12\n-000074c0: 3630 2e30 352c 2d37 3339 2e30 3122 2f3e  60.05,-739.01\"/>\n-000074d0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-000074e0: 655f 7372 635f 6772 6f6d 6163 735f 6170  e_src_gromacs_ap\n-000074f0: 706c 6965 645f 666f 7263 6573 2623 3435  plied_forces&#45\n-00007500: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00007510: 6772 6f6d 6163 735f 6d64 7479 7065 7320  gromacs_mdtypes \n-00007520: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n-00007530: 3822 2063 6c61 7373 3d22 6564 6765 223e  8\" class=\"edge\">\n-00007540: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00007550: 7263 5f67 726f 6d61 6373 5f61 7070 6c69  rc_gromacs_appli\n-00007560: 6564 5f66 6f72 6365 7326 2334 353b 2667  ed_forces&#45;&g\n-00007570: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00007580: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469  macs_mdtypes</ti\n-00007590: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-000075a0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-000075b0: 6266 6266 6266 2220 643d 224d 3333 372e  bfbfbf\" d=\"M337.\n-000075c0: 362c 2d31 3033 342e 3537 4334 3433 2e33  6,-1034.57C443.3\n-000075d0: 382c 2d31 3033 332e 3936 2036 3636 2e30  8,-1033.96 666.0\n-000075e0: 352c 2d31 3032 372e 3539 2037 3239 2c2d  5,-1027.59 729,-\n-000075f0: 3938 352e 3932 2037 3430 2e34 312c 2d39  985.92 740.41,-9\n-00007600: 3738 2e33 3720 3733 352e 3939 2c2d 3937  78.37 735.99,-97\n-00007610: 302e 3134 2037 3434 2c2d 3935 392e 3035  0.14 744,-959.05\n-00007620: 2037 3536 2e37 312c 2d39 3431 2e34 3620   756.71,-941.46 \n-00007630: 3736 332e 3838 2c2d 3934 302e 3334 2037  763.88,-940.34 7\n-00007640: 3737 2c2d 3932 332e 3035 2038 3235 2e33  77,-923.05 825.3\n-00007650: 312c 2d38 3539 2e34 3220 3831 332e 3039  1,-859.42 813.09\n-00007660: 2c2d 3832 342e 3431 2038 3732 2c2d 3737  ,-824.41 872,-77\n-00007670: 302e 3434 2038 3938 2e30 392c 2d37 3436  0.44 898.09,-746\n-00007680: 2e35 3420 3932 312e 3038 2c2d 3736 322e  .54 921.08,-762.\n-00007690: 3231 2039 3433 2c2d 3733 342e 3434 2039  21 943,-734.44 9\n-000076a0: 3534 2e37 372c 2d37 3139 2e35 3220 3935  54.77,-719.52 95\n-000076b0: 392e 3033 2c2d 3639 382e 3132 2039 3630  9.03,-698.12 960\n-000076c0: 2e34 392c 2d36 3831 2e39 3422 2f3e 0a3c  .49,-681.94\"/>.<\n-000076d0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n-000076e0: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n-000076f0: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n-00007700: 3936 332e 3939 2c2d 3638 312e 3931 2039  963.99,-681.91 9\n-00007710: 3631 2e31 2c2d 3637 312e 3731 2039 3537  61.1,-671.71 957\n-00007720: 2e30 312c 2d36 3831 2e34 3820 3936 332e  .01,-681.48 963.\n-00007730: 3939 2c2d 3638 312e 3931 222f 3e0a 3c2f  99,-681.91\"/>.</\n-00007740: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00007750: 7263 5f67 726f 6d61 6373 5f61 7070 6c69  rc_gromacs_appli\n-00007760: 6564 5f66 6f72 6365 7326 2334 353b 2667  ed_forces&#45;&g\n-00007770: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00007780: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65  macs_commandline\n-00007790: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-000077a0: 3236 2220 636c 6173 733d 2265 6467 6522  26\" class=\"edge\"\n-000077b0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-000077c0: 7372 635f 6772 6f6d 6163 735f 6170 706c  src_gromacs_appl\n-000077d0: 6965 645f 666f 7263 6573 2623 3435 3b26  ied_forces&#45;&\n-000077e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-000077f0: 6f6d 6163 735f 636f 6d6d 616e 646c 696e  omacs_commandlin\n-00007800: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820  e</title>.<path \n-00007810: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-00007820: 6b65 3d22 626c 6163 6b22 2073 7472 6f6b  ke=\"black\" strok\n-00007830: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n-00007840: 2220 643d 224d 3237 332e 3638 2c2d 3130  \" d=\"M273.68,-10\n-00007850: 3231 2e38 3343 3236 312e 3635 2c2d 3130  21.83C261.65,-10\n-00007860: 3030 2e30 3120 3233 392c 2d39 3533 2e32  00.01 239,-953.2\n-00007870: 3720 3233 392c 2d39 3130 2e36 3220 3233  7 239,-910.62 23\n-00007880: 392c 2d39 3130 2e36 3220 3233 392c 2d39  9,-910.62 239,-9\n-00007890: 3130 2e36 3220 3233 392c 2d37 3832 2e38  10.62 239,-782.8\n-000078a0: 3820 3233 392c 2d35 3230 2e33 3920 3135  8 239,-520.39 15\n-000078b0: 332e 3635 2c2d 3336 382e 3120 3335 392c  3.65,-368.1 359,\n-000078c0: 2d32 3034 2e36 3120 3432 362e 3631 2c2d  -204.61 426.61,-\n-000078d0: 3135 302e 3738 2034 3538 2e30 312c 2d31  150.78 458.01,-1\n-000078e0: 3537 2e34 3220 3534 332c 2d31 3431 2e37  57.42 543,-141.7\n-000078f0: 3420 3537 352e 3336 2c2d 3133 352e 3737  4 575.36,-135.77\n-00007900: 2031 3538 302e 3933 2c2d 3130 332e 3535   1580.93,-103.55\n-00007910: 2031 3834 322e 3337 2c2d 3935 2e32 3522   1842.37,-95.25\"\n-00007920: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00007930: 3d22 626c 6163 6b22 2073 7472 6f6b 653d  =\"black\" stroke=\n-00007940: 2262 6c61 636b 2220 706f 696e 7473 3d22  \"black\" points=\"\n-00007950: 3138 3432 2e35 372c 2d39 382e 3735 2031  1842.57,-98.75 1\n-00007960: 3835 322e 3435 2c2d 3934 2e39 3320 3138  852.45,-94.93 18\n-00007970: 3432 2e33 342c 2d39 312e 3735 2031 3834  42.34,-91.75 184\n-00007980: 322e 3537 2c2d 3938 2e37 3522 2f3e 0a3c  2.57,-98.75\"/>.<\n-00007990: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-000079a0: 7372 635f 6772 6f6d 6163 735f 6170 706c  src_gromacs_appl\n-000079b0: 6965 645f 666f 7263 6573 2623 3435 3b26  ied_forces&#45;&\n-000079c0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-000079d0: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69  omacs_mdrunutili\n-000079e0: 7479 202d 2d3e 0a3c 6720 6964 3d22 6564  ty -->.<g id=\"ed\n-000079f0: 6765 3334 2220 636c 6173 733d 2265 6467  ge34\" class=\"edg\n-00007a00: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00007a10: 655f 7372 635f 6772 6f6d 6163 735f 6170  e_src_gromacs_ap\n-00007a20: 706c 6965 645f 666f 7263 6573 2623 3435  plied_forces&#45\n-00007a30: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00007a40: 6772 6f6d 6163 735f 6d64 7275 6e75 7469  gromacs_mdrunuti\n-00007a50: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061  lity</title>.<pa\n-00007a60: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-00007a70: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-00007a80: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n-00007a90: 3d22 352c 3222 2064 3d22 4d32 3935 2e33  =\"5,2\" d=\"M295.3\n-00007aa0: 312c 2d31 3032 322e 3235 4333 3137 2e38  1,-1022.25C317.8\n-00007ab0: 322c 2d31 3030 312e 3737 2033 3539 2c2d  2,-1001.77 359,-\n-00007ac0: 3935 372e 3835 2033 3539 2c2d 3931 302e  957.85 359,-910.\n-00007ad0: 3632 2033 3539 2c2d 3931 302e 3632 2033  62 359,-910.62 3\n-00007ae0: 3539 2c2d 3931 302e 3632 2033 3539 2c2d  59,-910.62 359,-\n-00007af0: 3738 322e 3838 2033 3539 2c2d 3437 322e  782.88 359,-472.\n-00007b00: 3431 2037 3231 2e38 382c 2d36 3333 2e36  41 721.88,-633.6\n-00007b10: 3320 3130 3238 2c2d 3538 312e 3833 2031  3 1028,-581.83 1\n-00007b20: 3132 362e 3532 2c2d 3536 352e 3136 2031  126.52,-565.16 1\n-00007b30: 3234 322e 3132 2c2d 3534 392e 3032 2031  242.12,-549.02 1\n-00007b40: 3330 372e 3334 2c2d 3534 302e 3233 222f  307.34,-540.23\"/\n-00007b50: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00007b60: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-00007b70: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n-00007b80: 733d 2231 3330 372e 3932 2c2d 3534 332e  s=\"1307.92,-543.\n-00007b90: 3638 2031 3331 372e 3337 2c2d 3533 382e  68 1317.37,-538.\n-00007ba0: 3838 2031 3330 362e 3939 2c2d 3533 362e  88 1306.99,-536.\n-00007bb0: 3734 2031 3330 372e 3932 2c2d 3534 332e  74 1307.92,-543.\n-00007bc0: 3638 222f 3e0a 3c2f 673e 0a3c 212d 2d20  68\"/>.</g>.<!-- \n-00007bd0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00007be0: 6373 5f61 7070 6c69 6564 5f66 6f72 6365  cs_applied_force\n-00007bf0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-00007c00: 5f73 7263 5f67 726f 6d61 6373 5f72 616e  _src_gromacs_ran\n-00007c10: 646f 6d20 2d2d 3e0a 3c67 2069 643d 2265  dom -->.<g id=\"e\n-00007c20: 6467 6533 3722 2063 6c61 7373 3d22 6564  dge37\" class=\"ed\n-00007c30: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-00007c40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61  le_src_gromacs_a\n-00007c50: 7070 6c69 6564 5f66 6f72 6365 7326 2334  pplied_forces&#4\n-00007c60: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00007c70: 5f67 726f 6d61 6373 5f72 616e 646f 6d3c  _gromacs_random<\n-00007c80: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00007c90: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-00007ca0: 3d22 626c 6163 6b22 2073 7472 6f6b 652d  =\"black\" stroke-\n-00007cb0: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n-00007cc0: 643d 224d 3238 342e 3035 2c2d 3130 3231  d=\"M284.05,-1021\n-00007cd0: 2e38 4332 3839 2e31 392c 2d39 3939 2e35  .8C289.19,-999.5\n-00007ce0: 3420 3239 392c 2d39 3531 2e36 3520 3239  4 299,-951.65 29\n-00007cf0: 392c 2d39 3130 2e36 3220 3239 392c 2d39  9,-910.62 299,-9\n-00007d00: 3130 2e36 3220 3239 392c 2d39 3130 2e36  10.62 299,-910.6\n-00007d10: 3220 3239 392c 2d37 3832 2e38 3820 3239  2 299,-782.88 29\n-00007d20: 392c 2d35 3434 2e31 3820 3233 352e 3636  9,-544.18 235.66\n-00007d30: 2c2d 3337 322e 3531 2034 3530 2c2d 3236  ,-372.51 450,-26\n-00007d40: 372e 3438 2034 3830 2e39 2c2d 3235 322e  7.48 480.9,-252.\n-00007d50: 3334 2031 3535 382c 2d31 3735 2e36 3420  34 1558,-175.64 \n-00007d60: 3137 3930 2e31 382c 2d31 3539 2e32 3622  1790.18,-159.26\"\n-00007d70: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00007d80: 3d22 626c 6163 6b22 2073 7472 6f6b 653d  =\"black\" stroke=\n-00007d90: 2262 6c61 636b 2220 706f 696e 7473 3d22  \"black\" points=\"\n-00007da0: 3137 3930 2e35 352c 2d31 3632 2e37 3420  1790.55,-162.74 \n-00007db0: 3138 3030 2e32 382c 2d31 3538 2e35 3420  1800.28,-158.54 \n-00007dc0: 3137 3930 2e30 362c 2d31 3535 2e37 3620  1790.06,-155.76 \n-00007dd0: 3137 3930 2e35 352c 2d31 3632 2e37 3422  1790.55,-162.74\"\n-00007de0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00007df0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00007e00: 6170 706c 6965 645f 666f 7263 6573 2623  applied_forces&#\n-00007e10: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00007e20: 635f 6772 6f6d 6163 735f 6577 616c 6420  c_gromacs_ewald \n-00007e30: 2d2d 3e0a 3c67 2069 643d 2265 6467 6533  -->.<g id=\"edge3\n-00007e40: 3322 2063 6c61 7373 3d22 6564 6765 223e  3\" class=\"edge\">\n-00007e50: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00007e60: 7263 5f67 726f 6d61 6373 5f61 7070 6c69  rc_gromacs_appli\n-00007e70: 6564 5f66 6f72 6365 7326 2334 353b 2667  ed_forces&#45;&g\n-00007e80: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00007e90: 6d61 6373 5f65 7761 6c64 3c2f 7469 746c  macs_ewald</titl\n-00007ea0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00007eb0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n-00007ec0: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n-00007ed0: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n-00007ee0: 4d32 3737 2e32 372c 2d31 3032 312e 3834  M277.27,-1021.84\n-00007ef0: 4332 3730 2e39 392c 2d39 3939 2e36 3520  C270.99,-999.65 \n-00007f00: 3235 392c 2d39 3531 2e38 3520 3235 392c  259,-951.85 259,\n-00007f10: 2d39 3130 2e36 3220 3235 392c 2d39 3130  -910.62 259,-910\n-00007f20: 2e36 3220 3235 392c 2d39 3130 2e36 3220  .62 259,-910.62 \n-00007f30: 3235 392c 2d37 3832 2e38 3820 3235 392c  259,-782.88 259,\n-00007f40: 2d36 3437 2e39 3520 3232 382e 3632 2c2d  -647.95 228.62,-\n-00007f50: 3631 362e 3836 2032 3132 2c2d 3438 322e  616.86 212,-482.\n-00007f60: 3936 2032 3038 2e35 352c 2d34 3535 2e31  96 208.55,-455.1\n-00007f70: 3720 3230 382e 3839 2c2d 3434 382e 3038  7 208.89,-448.08\n-00007f80: 2032 3038 2c2d 3432 302e 3039 2032 3036   208,-420.09 206\n-00007f90: 2e37 332c 2d33 3830 2e31 3920 3139 342e  .73,-380.19 194.\n-00007fa0: 3136 2c2d 3336 362e 3036 2032 3132 2c2d  16,-366.06 212,-\n-00007fb0: 3333 302e 3335 2032 3530 2e34 332c 2d32  330.35 250.43,-2\n-00007fc0: 3533 2e34 3420 3238 322e 3031 2c2d 3234  53.44 282.01,-24\n-00007fd0: 322e 3837 2033 3539 2c2d 3230 342e 3631  2.87 359,-204.61\n-00007fe0: 2034 3138 2e38 312c 2d31 3734 2e38 3920   418.81,-174.89 \n-00007ff0: 3439 362e 3631 2c2d 3136 332e 3239 2035  496.61,-163.29 5\n-00008000: 3432 2e34 352c 2d31 3538 2e38 3522 2f3e  42.45,-158.85\"/>\n-00008010: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-00008020: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n-00008030: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n-00008040: 3d22 3534 322e 3931 2c2d 3136 322e 3332  =\"542.91,-162.32\n-00008050: 2035 3532 2e35 352c 2d31 3537 2e39 3420   552.55,-157.94 \n-00008060: 3534 322e 3238 2c2d 3135 352e 3335 2035  542.28,-155.35 5\n-00008070: 3432 2e39 312c 2d31 3632 2e33 3222 2f3e  42.91,-162.32\"/>\n-00008080: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00008090: 655f 7372 635f 6772 6f6d 6163 735f 6170  e_src_gromacs_ap\n-000080a0: 706c 6965 645f 666f 7263 6573 2623 3435  plied_forces&#45\n-000080b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-000080c0: 6772 6f6d 6163 735f 6669 6c65 696f 202d  gromacs_fileio -\n-000080d0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3237  ->.<g id=\"edge27\n-000080e0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-000080f0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00008100: 635f 6772 6f6d 6163 735f 6170 706c 6965  c_gromacs_applie\n-00008110: 645f 666f 7263 6573 2623 3435 3b26 6774  d_forces&#45;&gt\n-00008120: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00008130: 6163 735f 6669 6c65 696f 3c2f 7469 746c  acs_fileio</titl\n-00008140: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00008150: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n-00008160: 6266 6266 2220 643d 224d 3333 322e 3132  bfbf\" d=\"M332.12\n-00008170: 2c2d 3130 3239 2e33 3943 3534 322e 362c  ,-1029.39C542.6,\n-00008180: 2d31 3030 382e 3935 2031 3333 392e 352c  -1008.95 1339.5,\n-00008190: 2d39 3331 2e35 3520 3135 3138 2e39 362c  -931.55 1518.96,\n-000081a0: 2d39 3134 2e31 3222 2f3e 0a3c 706f 6c79  -914.12\"/>.<poly\n-000081b0: 676f 6e20 6669 6c6c 3d22 2362 6662 6662  gon fill=\"#bfbfb\n-000081c0: 6622 2073 7472 6f6b 653d 2223 6266 6266  f\" stroke=\"#bfbf\n-000081d0: 6266 2220 706f 696e 7473 3d22 3135 3139  bf\" points=\"1519\n-000081e0: 2e33 322c 2d39 3137 2e36 2031 3532 382e  .32,-917.6 1528.\n-000081f0: 3934 2c2d 3931 332e 3135 2031 3531 382e  94,-913.15 1518.\n-00008200: 3635 2c2d 3931 302e 3633 2031 3531 392e  65,-910.63 1519.\n-00008210: 3332 2c2d 3931 372e 3622 2f3e 0a3c 2f67  32,-917.6\"/>.</g\n-00008220: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-00008230: 635f 6772 6f6d 6163 735f 7265 7374 7261  c_gromacs_restra\n-00008240: 696e 7426 2334 353b 2667 743b 6d6f 6475  int&#45;&gt;modu\n-00008250: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64  le_src_gromacs_d\n-00008260: 6f6d 6465 6320 2d2d 3e0a 3c67 2069 643d  omdec -->.<g id=\n-00008270: 2265 6467 6533 3922 2063 6c61 7373 3d22  \"edge39\" class=\"\n-00008280: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-00008290: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-000082a0: 5f72 6573 7472 6169 6e74 2623 3435 3b26  _restraint&#45;&\n-000082b0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-000082c0: 6f6d 6163 735f 646f 6d64 6563 3c2f 7469  omacs_domdec</ti\n-000082d0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-000082e0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-000082f0: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n-00008300: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-00008310: 3d22 4d37 3635 2e33 2c2d 3130 3233 2e34  =\"M765.3,-1023.4\n-00008320: 3743 3734 392e 3936 2c2d 3130 3134 2e30  7C749.96,-1014.0\n-00008330: 3420 3732 372e 3534 2c2d 3130 3030 2e32  4 727.54,-1000.2\n-00008340: 3620 3731 302e 3133 2c2d 3938 392e 3535  6 710.13,-989.55\n-00008350: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-00008360: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n-00008370: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n-00008380: 6e74 733d 2237 3131 2e39 2c2d 3938 362e  nts=\"711.9,-986.\n-00008390: 3533 2037 3031 2e35 352c 2d39 3834 2e32  53 701.55,-984.2\n-000083a0: 3720 3730 382e 3233 2c2d 3939 322e 3439  7 708.23,-992.49\n-000083b0: 2037 3131 2e39 2c2d 3938 362e 3533 222f   711.9,-986.53\"/\n-000083c0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-000083d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72  le_src_gromacs_r\n-000083e0: 6573 7472 6169 6e74 2623 3435 3b26 6774  estraint&#45;&gt\n-000083f0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00008400: 6163 735f 676d 786c 6962 202d 2d3e 0a3c  acs_gmxlib -->.<\n-00008410: 6720 6964 3d22 6564 6765 3430 2220 636c  g id=\"edge40\" cl\n-00008420: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00008430: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00008440: 6f6d 6163 735f 7265 7374 7261 696e 7426  omacs_restraint&\n-00008450: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00008460: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69  rc_gromacs_gmxli\n-00008470: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n-00008480: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-00008490: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n-000084a0: 4d37 3932 2e38 322c 2d31 3032 322e 3232  M792.82,-1022.22\n-000084b0: 4338 3036 2e34 362c 2d31 3030 362e 3031  C806.46,-1006.01\n-000084c0: 2038 3332 2e35 372c 2d39 3737 2e32 3320   832.57,-977.23 \n-000084d0: 3836 302c 2d39 3539 2e30 3520 3839 342e  860,-959.05 894.\n-000084e0: 3534 2c2d 3933 362e 3136 2039 3038 2e32  54,-936.16 908.2\n-000084f0: 352c 2d39 3430 2e31 3320 3934 362c 2d39  5,-940.13 946,-9\n-00008500: 3233 2e30 3520 3130 3632 2e32 312c 2d38  23.05 1062.21,-8\n-00008510: 3730 2e34 3620 3130 3938 2e31 362c 2d38  70.46 1098.16,-8\n-00008520: 3638 2e35 3120 3132 3034 2c2d 3739 372e  68.51 1204,-797.\n-00008530: 3331 2031 3232 382e 3538 2c2d 3738 302e  31 1228.58,-780.\n-00008540: 3738 2031 3235 332e 3434 2c2d 3735 372e  78 1253.44,-757.\n-00008550: 3439 2031 3236 392e 3636 2c2d 3734 312e  49 1269.66,-741.\n-00008560: 3231 222f 3e0a 3c70 6f6c 7967 6f6e 2066  21\"/>.<polygon f\n-00008570: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n-00008580: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n-00008590: 6f69 6e74 733d 2231 3237 322e 3339 2c2d  oints=\"1272.39,-\n-000085a0: 3734 332e 3432 2031 3237 362e 392c 2d37  743.42 1276.9,-7\n-000085b0: 3333 2e38 3320 3132 3637 2e33 392c 2d37  33.83 1267.39,-7\n-000085c0: 3338 2e35 3220 3132 3732 2e33 392c 2d37  38.52 1272.39,-7\n-000085d0: 3433 2e34 3222 2f3e 0a3c 2f67 3e0a 3c21  43.42\"/>.</g>.<!\n-000085e0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-000085f0: 6f6d 6163 735f 7265 7374 7261 696e 7426  omacs_restraint&\n-00008600: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00008610: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n-00008620: 6573 202d 2d3e 0a3c 6720 6964 3d22 6564  es -->.<g id=\"ed\n-00008630: 6765 3431 2220 636c 6173 733d 2265 6467  ge41\" class=\"edg\n-00008640: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00008650: 655f 7372 635f 6772 6f6d 6163 735f 7265  e_src_gromacs_re\n-00008660: 7374 7261 696e 7426 2334 353b 2667 743b  straint&#45;&gt;\n-00008670: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00008680: 6373 5f6d 6474 7970 6573 3c2f 7469 746c  cs_mdtypes</titl\n-00008690: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-000086a0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n-000086b0: 6266 6266 2220 643d 224d 3738 382e 3134  bfbf\" d=\"M788.14\n-000086c0: 2c2d 3130 3231 2e37 3843 3739 342e 3932  ,-1021.78C794.92\n-000086d0: 2c2d 3130 3036 2e31 3120 3830 372e 3839  ,-1006.11 807.89\n-000086e0: 2c2d 3937 382e 3935 2038 3234 2c2d 3935  ,-978.95 824,-95\n-000086f0: 392e 3035 2038 3339 2e34 372c 2d39 3339  9.05 839.47,-939\n-00008700: 2e39 3420 3835 302e 3033 2c2d 3934 312e  .94 850.03,-941.\n-00008710: 3735 2038 3636 2c2d 3932 332e 3035 2039  75 866,-923.05 9\n-00008720: 3239 2e39 312c 2d38 3438 2e32 3120 3935  29.91,-848.21 95\n-00008730: 352e 3231 2c2d 3832 392e 3134 2039 3832  5.21,-829.14 982\n-00008740: 2c2d 3733 342e 3434 2039 3837 2e31 352c  ,-734.44 987.15,\n-00008750: 2d37 3136 2e32 3320 3938 302e 3436 2c2d  -716.23 980.46,-\n-00008760: 3639 352e 3531 2039 3733 2e33 2c2d 3638  695.51 973.3,-68\n-00008770: 302e 3432 222f 3e0a 3c70 6f6c 7967 6f6e  0.42\"/>.<polygon\n-00008780: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n-00008790: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-000087a0: 2070 6f69 6e74 733d 2239 3736 2e33 342c   points=\"976.34,\n-000087b0: 2d36 3738 2e36 3920 3936 382e 3634 2c2d  -678.69 968.64,-\n-000087c0: 3637 312e 3420 3937 302e 3132 2c2d 3638  671.4 970.12,-68\n-000087d0: 312e 3920 3937 362e 3334 2c2d 3637 382e  1.9 976.34,-678.\n-000087e0: 3639 222f 3e0a 3c2f 673e 0a3c 212d 2d20  69\"/>.</g>.<!-- \n-000087f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00008800: 6373 5f74 6f6f 6c73 202d 2d3e 0a3c 6720  cs_tools -->.<g \n-00008810: 6964 3d22 6e6f 6465 3422 2063 6c61 7373  id=\"node4\" class\n-00008820: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e  =\"node\">.<title>\n-00008830: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00008840: 6373 5f74 6f6f 6c73 3c2f 7469 746c 653e  cs_tools</title>\n-00008850: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22  .<ellipse fill=\"\n-00008860: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n-00008870: 2262 6c61 636b 2220 6378 3d22 3132 3039  \"black\" cx=\"1209\n-00008880: 2220 6379 3d22 2d31 3232 332e 3937 2220  \" cy=\"-1223.97\" \n-00008890: 7278 3d22 3237 2220 7279 3d22 3133 2e33  rx=\"27\" ry=\"13.3\n-000088a0: 3722 2f3e 0a3c 7465 7874 2074 6578 742d  7\"/>.<text text-\n-000088b0: 616e 6368 6f72 3d22 6d69 6464 6c65 2220  anchor=\"middle\" \n-000088c0: 783d 2231 3230 3922 2079 3d22 2d31 3232  x=\"1209\" y=\"-122\n-000088d0: 312e 3437 2220 666f 6e74 2d66 616d 696c  1.47\" font-famil\n-000088e0: 793d 2246 7265 6553 616e 7322 2066 6f6e  y=\"FreeSans\" fon\n-000088f0: 742d 7369 7a65 3d22 3130 2e30 3022 3e74  t-size=\"10.00\">t\n-00008900: 6f6f 6c73 3c2f 7465 7874 3e0a 3c2f 673e  ools</text>.</g>\n-00008910: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00008920: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623  _gromacs_tools&#\n-00008930: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00008940: 635f 6772 6f6d 6163 735f 6d64 7275 6e20  c_gromacs_mdrun \n-00008950: 2d2d 3e0a 3c67 2069 643d 2265 6467 6535  -->.<g id=\"edge5\n-00008960: 3122 2063 6c61 7373 3d22 6564 6765 223e  1\" class=\"edge\">\n-00008970: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00008980: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73  rc_gromacs_tools\n-00008990: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-000089a0: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n-000089b0: 6e3c 2f74 6974 6c65 3e0a 3c70 6174 6820  n</title>.<path \n-000089c0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-000089d0: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n-000089e0: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-000089f0: 2c32 2220 643d 224d 3131 3837 2e35 362c  ,2\" d=\"M1187.56,\n-00008a00: 2d31 3231 352e 3643 3131 3236 2e39 382c  -1215.6C1126.98,\n-00008a10: 2d31 3139 342e 3738 2039 3534 2e32 382c  -1194.78 954.28,\n-00008a20: 2d31 3133 352e 3431 2038 3831 2e37 332c  -1135.41 881.73,\n-00008a30: 2d31 3131 302e 3437 222f 3e0a 3c70 6f6c  -1110.47\"/>.<pol\n-00008a40: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n-00008a50: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n-00008a60: 6663 6322 2070 6f69 6e74 733d 2238 3832  fcc\" points=\"882\n-00008a70: 2e37 372c 2d31 3130 372e 3133 2038 3732  .77,-1107.13 872\n-00008a80: 2e31 372c 2d31 3130 372e 3139 2038 3830  .17,-1107.19 880\n-00008a90: 2e34 392c 2d31 3131 332e 3735 2038 3832  .49,-1113.75 882\n-00008aa0: 2e37 372c 2d31 3130 372e 3133 222f 3e0a  .77,-1107.13\"/>.\n-00008ab0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00008ac0: 5f73 7263 5f67 726f 6d61 6373 5f66 6674  _src_gromacs_fft\n-00008ad0: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465   -->.<g id=\"node\n-00008ae0: 3722 2063 6c61 7373 3d22 6e6f 6465 223e  7\" class=\"node\">\n-00008af0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00008b00: 7263 5f67 726f 6d61 6373 5f66 6674 3c2f  rc_gromacs_fft</\n-00008b10: 7469 746c 653e 0a3c 656c 6c69 7073 6520  title>.<ellipse \n-00008b20: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n-00008b30: 7472 6f6b 653d 2262 6c61 636b 2220 6378  troke=\"black\" cx\n-00008b40: 3d22 3538 3122 2063 793d 222d 3932 2e33  =\"581\" cy=\"-92.3\n-00008b50: 3122 2072 783d 2232 3722 2072 793d 2231  1\" rx=\"27\" ry=\"1\n-00008b60: 332e 3337 222f 3e0a 3c74 6578 7420 7465  3.37\"/>.<text te\n-00008b70: 7874 2d61 6e63 686f 723d 226d 6964 646c  xt-anchor=\"middl\n-00008b80: 6522 2078 3d22 3538 3122 2079 3d22 2d38  e\" x=\"581\" y=\"-8\n-00008b90: 392e 3831 2220 666f 6e74 2d66 616d 696c  9.81\" font-famil\n-00008ba0: 793d 2246 7265 6553 616e 7322 2066 6f6e  y=\"FreeSans\" fon\n-00008bb0: 742d 7369 7a65 3d22 3130 2e30 3022 3e66  t-size=\"10.00\">f\n-00008bc0: 6674 3c2f 7465 7874 3e0a 3c2f 673e 0a3c  ft</text>.</g>.<\n-00008bd0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-00008be0: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435  romacs_tools&#45\n-00008bf0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00008c00: 6772 6f6d 6163 735f 6666 7420 2d2d 3e0a  gromacs_fft -->.\n-00008c10: 3c67 2069 643d 2265 6467 6534 3422 2063  <g id=\"edge44\" c\n-00008c20: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-00008c30: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-00008c40: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435  romacs_tools&#45\n-00008c50: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00008c60: 6772 6f6d 6163 735f 6666 743c 2f74 6974  gromacs_fft</tit\n-00008c70: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-00008c80: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n-00008c90: 6662 6662 6622 2064 3d22 4d31 3138 322e  fbfbf\" d=\"M1182.\n-00008ca0: 3137 2c2d 3132 3231 2e37 3643 3131 3332  17,-1221.76C1132\n-00008cb0: 2e30 352c 2d31 3231 392e 3520 3130 3230  .05,-1219.5 1020\n-00008cc0: 2e37 362c 2d31 3231 342e 3532 2039 3237  .76,-1214.52 927\n-00008cd0: 2c2d 3132 3130 2e35 3320 3837 382e 3137  ,-1210.53 878.17\n-00008ce0: 2c2d 3132 3038 2e34 3520 3838 2e30 342c  ,-1208.45 88.04,\n-00008cf0: 2d31 3230 322e 3535 2034 382c 2d31 3137  -1202.55 48,-117\n-00008d00: 342e 3533 2031 382e 3335 2c2d 3131 3533  4.53 18.35,-1153\n-00008d10: 2e37 3820 3137 2c2d 3131 3335 2e34 3220  .78 17,-1135.42 \n-00008d20: 3137 2c2d 3130 3939 2e32 3320 3137 2c2d  17,-1099.23 17,-\n-00008d30: 3130 3939 2e32 3320 3137 2c2d 3130 3939  1099.23 17,-1099\n-00008d40: 2e32 3320 3137 2c2d 3237 392e 3932 2031  .23 17,-279.92 1\n-00008d50: 372c 2d32 3338 2e37 3320 3336 2e35 392c  7,-238.73 36.59,\n-00008d60: 2d32 3237 2e32 3420 3731 2c2d 3230 342e  -227.24 71,-204.\n-00008d70: 3631 2032 3234 2e33 342c 2d31 3033 2e37  61 224.34,-103.7\n-00008d80: 3620 3435 342e 3234 2c2d 3932 2e38 3120  6 454.24,-92.81 \n-00008d90: 3534 332e 362c 2d39 322e 3634 222f 3e0a  543.6,-92.64\"/>.\n-00008da0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-00008db0: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n-00008dc0: 2362 6662 6662 6622 2070 6f69 6e74 733d  #bfbfbf\" points=\n-00008dd0: 2235 3433 2e37 382c 2d39 362e 3134 2035  \"543.78,-96.14 5\n-00008de0: 3533 2e37 392c 2d39 322e 3637 2035 3433  53.79,-92.67 543\n-00008df0: 2e38 2c2d 3839 2e31 3420 3534 332e 3738  .8,-89.14 543.78\n-00008e00: 2c2d 3936 2e31 3422 2f3e 0a3c 2f67 3e0a  ,-96.14\"/>.</g>.\n-00008e10: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00008e20: 6772 6f6d 6163 735f 746f 6f6c 7326 2334  gromacs_tools&#4\n-00008e30: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00008e40: 5f67 726f 6d61 6373 5f6d 646c 6962 202d  _gromacs_mdlib -\n-00008e50: 2d3e 0a3c 6720 6964 3d22 6564 6765 3437  ->.<g id=\"edge47\n-00008e60: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-00008e70: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00008e80: 635f 6772 6f6d 6163 735f 746f 6f6c 7326  c_gromacs_tools&\n-00008e90: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00008ea0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n-00008eb0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00008ec0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00008ed0: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n-00008ee0: 3132 3335 2e39 372c 2d31 3232 322e 3835  1235.97,-1222.85\n-00008ef0: 4331 3430 342e 3936 2c2d 3132 3231 2e38  C1404.96,-1221.8\n-00008f00: 2032 3331 312c 2d31 3231 302e 3935 2032   2311,-1210.95 2\n-00008f10: 3331 312c 2d31 3039 392e 3233 2032 3331  311,-1099.23 231\n-00008f20: 312c 2d31 3039 392e 3233 2032 3331 312c  1,-1099.23 2311,\n-00008f30: 2d31 3039 392e 3233 2032 3331 312c 2d33  -1099.23 2311,-3\n-00008f40: 3432 2e37 3920 3233 3131 2c2d 3233 342e  42.79 2311,-234.\n-00008f50: 3537 2031 3435 322e 3536 2c2d 3232 302e  57 1452.56,-220.\n-00008f60: 3937 2031 3235 382e 3632 2c2d 3231 392e  97 1258.62,-219.\n-00008f70: 3238 222f 3e0a 3c70 6f6c 7967 6f6e 2066  28\"/>.<polygon f\n-00008f80: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n-00008f90: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n-00008fa0: 6f69 6e74 733d 2231 3235 382e 3337 2c2d  oints=\"1258.37,-\n-00008fb0: 3231 352e 3738 2031 3234 382e 3334 2c2d  215.78 1248.34,-\n-00008fc0: 3231 392e 3220 3132 3538 2e33 312c 2d32  219.2 1258.31,-2\n-00008fd0: 3232 2e37 3820 3132 3538 2e33 372c 2d32  22.78 1258.37,-2\n-00008fe0: 3135 2e37 3822 2f3e 0a3c 2f67 3e0a 3c21  15.78\"/>.</g>.<!\n-00008ff0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00009000: 6f6d 6163 735f 746f 6f6c 7326 2334 353b  omacs_tools&#45;\n-00009010: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00009020: 726f 6d61 6373 5f67 6d78 7072 6570 726f  romacs_gmxprepro\n-00009030: 6365 7373 202d 2d3e 0a3c 6720 6964 3d22  cess -->.<g id=\"\n-00009040: 6564 6765 3530 2220 636c 6173 733d 2265  edge50\" class=\"e\n-00009050: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-00009060: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00009070: 746f 6f6c 7326 2334 353b 2667 743b 6d6f  tools&#45;&gt;mo\n-00009080: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00009090: 5f67 6d78 7072 6570 726f 6365 7373 3c2f  _gmxpreprocess</\n-000090a0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-000090b0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-000090c0: 2223 6266 6266 6266 2220 643d 224d 3132  \"#bfbfbf\" d=\"M12\n-000090d0: 3335 2e31 362c 2d31 3232 302e 3543 3133  35.16,-1220.5C13\n-000090e0: 3239 2e36 312c 2d31 3231 312e 3632 2031  29.61,-1211.62 1\n-000090f0: 3635 342e 3635 2c2d 3131 3831 2e30 3420  654.65,-1181.04 \n-00009100: 3137 3932 2e39 332c 2d31 3136 382e 3033  1792.93,-1168.03\n-00009110: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-00009120: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n-00009130: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n-00009140: 6e74 733d 2231 3739 332e 3333 2c2d 3131  nts=\"1793.33,-11\n-00009150: 3731 2e35 3120 3138 3032 2e39 362c 2d31  71.51 1802.96,-1\n-00009160: 3136 372e 3039 2031 3739 322e 3637 2c2d  167.09 1792.67,-\n-00009170: 3131 3634 2e35 3420 3137 3933 2e33 332c  1164.54 1793.33,\n-00009180: 2d31 3137 312e 3531 222f 3e0a 3c2f 673e  -1171.51\"/>.</g>\n-00009190: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-000091a0: 5f67 726f 6d61 6373 5f74 7261 6a65 6374  _gromacs_traject\n-000091b0: 6f72 7920 2d2d 3e0a 3c67 2069 643d 226e  ory -->.<g id=\"n\n-000091c0: 6f64 6532 3822 2063 6c61 7373 3d22 6e6f  ode28\" class=\"no\n-000091d0: 6465 223e 0a3c 7469 746c 653e 6d6f 6475  de\">.<title>modu\n-000091e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n-000091f0: 7261 6a65 6374 6f72 793c 2f74 6974 6c65  rajectory</title\n-00009200: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d  >.<ellipse fill=\n-00009210: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n-00009220: 3d22 626c 6163 6b22 2063 783d 2231 3935  =\"black\" cx=\"195\n-00009230: 3122 2063 793d 222d 3135 352e 3138 2220  1\" cy=\"-155.18\" \n-00009240: 7278 3d22 3431 2e30 3222 2072 793d 2231  rx=\"41.02\" ry=\"1\n-00009250: 332e 3337 222f 3e0a 3c74 6578 7420 7465  3.37\"/>.<text te\n-00009260: 7874 2d61 6e63 686f 723d 226d 6964 646c  xt-anchor=\"middl\n-00009270: 6522 2078 3d22 3139 3531 2220 793d 222d  e\" x=\"1951\" y=\"-\n-00009280: 3135 322e 3638 2220 666f 6e74 2d66 616d  152.68\" font-fam\n-00009290: 696c 793d 2246 7265 6553 616e 7322 2066  ily=\"FreeSans\" f\n-000092a0: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022  ont-size=\"10.00\"\n-000092b0: 3e74 7261 6a65 6374 6f72 793c 2f74 6578  >trajectory</tex\n-000092c0: 743e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  t>.</g>.<!-- mod\n-000092d0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-000092e0: 746f 6f6c 7326 2334 353b 2667 743b 6d6f  tools&#45;&gt;mo\n-000092f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00009300: 5f74 7261 6a65 6374 6f72 7920 2d2d 3e0a  _trajectory -->.\n-00009310: 3c67 2069 643d 2265 6467 6535 3222 2063  <g id=\"edge52\" c\n-00009320: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-00009330: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-00009340: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435  romacs_tools&#45\n-00009350: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00009360: 6772 6f6d 6163 735f 7472 616a 6563 746f  gromacs_trajecto\n-00009370: 7279 3c2f 7469 746c 653e 0a3c 7061 7468  ry</title>.<path\n-00009380: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-00009390: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n-000093a0: 224d 3132 3335 2e39 362c 2d31 3232 322e  \"M1235.96,-1222.\n-000093b0: 3533 4331 3338 392e 3534 2c2d 3132 3139  53C1389.54,-1219\n-000093c0: 2e39 2032 3135 302e 3636 2c2d 3132 3035  .9 2150.66,-1205\n-000093d0: 2e34 3320 3232 3530 2c2d 3131 3734 2e35  .43 2250,-1174.5\n-000093e0: 3320 3233 3130 2e34 382c 2d31 3135 352e  3 2310.48,-1155.\n-000093f0: 3732 2032 3337 312c 2d31 3136 322e 3537  72 2371,-1162.57\n-00009400: 2032 3337 312c 2d31 3039 392e 3233 2032   2371,-1099.23 2\n-00009410: 3337 312c 2d31 3039 392e 3233 2032 3337  371,-1099.23 237\n-00009420: 312c 2d31 3039 392e 3233 2032 3337 312c  1,-1099.23 2371,\n-00009430: 2d34 3035 2e36 3620 3233 3731 2c2d 3331  -405.66 2371,-31\n-00009440: 322e 3032 2032 3338 322e 3932 2c2d 3236  2.02 2382.92,-26\n-00009450: 302e 3738 2032 3330 382c 2d32 3034 2e36  0.78 2308,-204.6\n-00009460: 3120 3232 3630 2e37 352c 2d31 3639 2e31  1 2260.75,-169.1\n-00009470: 3920 3230 3838 2e39 382c 2d31 3539 2e36  9 2088.98,-159.6\n-00009480: 3720 3230 3032 2e30 382c 2d31 3537 2e31  7 2002.08,-157.1\n-00009490: 3122 2f3e 0a3c 706f 6c79 676f 6e20 6669  1\"/>.<polygon fi\n-000094a0: 6c6c 3d22 2362 6662 6662 6622 2073 7472  ll=\"#bfbfbf\" str\n-000094b0: 6f6b 653d 2223 6266 6266 6266 2220 706f  oke=\"#bfbfbf\" po\n-000094c0: 696e 7473 3d22 3230 3032 2e30 312c 2d31  ints=\"2002.01,-1\n-000094d0: 3533 2e36 3120 3139 3931 2e39 322c 2d31  53.61 1991.92,-1\n-000094e0: 3536 2e38 3320 3230 3031 2e38 322c 2d31  56.83 2001.82,-1\n-000094f0: 3630 2e36 3120 3230 3032 2e30 312c 2d31  60.61 2002.01,-1\n-00009500: 3533 2e36 3122 2f3e 0a3c 2f67 3e0a 3c21  53.61\"/>.</g>.<!\n-00009510: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00009520: 6f6d 6163 735f 746f 6f6c 7326 2334 353b  omacs_tools&#45;\n-00009530: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00009540: 726f 6d61 6373 5f67 6d78 6c69 6220 2d2d  romacs_gmxlib --\n-00009550: 3e0a 3c67 2069 643d 2265 6467 6534 3622  >.<g id=\"edge46\"\n-00009560: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-00009570: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00009580: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623  _gromacs_tools&#\n-00009590: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-000095a0: 635f 6772 6f6d 6163 735f 676d 786c 6962  c_gromacs_gmxlib\n-000095b0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-000095c0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-000095d0: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n-000095e0: 3132 3035 2e33 352c 2d31 3231 302e 3433  1205.35,-1210.43\n-000095f0: 4331 3139 342e 3534 2c2d 3131 3730 2e37  C1194.54,-1170.7\n-00009600: 3120 3131 3636 2e32 312c 2d31 3034 352e  1 1166.21,-1045.\n-00009610: 3234 2031 3231 322c 2d39 3539 2e30 3520  24 1212,-959.05 \n-00009620: 3132 3235 2e31 392c 2d39 3334 2e32 3320  1225.19,-934.23 \n-00009630: 3132 3439 2e35 2c2d 3934 372e 3133 2031  1249.5,-947.13 1\n-00009640: 3236 342c 2d39 3233 2e30 3520 3132 3938  264,-923.05 1298\n-00009650: 2e32 342c 2d38 3636 2e32 2031 3239 352e  .24,-866.2 1295.\n-00009660: 3033 2c2d 3738 332e 3835 2031 3239 302e  03,-783.85 1290.\n-00009670: 3938 2c2d 3734 342e 3534 222f 3e0a 3c70  98,-744.54\"/>.<p\n-00009680: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n-00009690: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n-000096a0: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n-000096b0: 3239 342e 3434 2c2d 3734 332e 3937 2031  294.44,-743.97 1\n-000096c0: 3238 392e 3832 2c2d 3733 342e 3433 2031  289.82,-734.43 1\n-000096d0: 3238 372e 3439 2c2d 3734 342e 3737 2031  287.49,-744.77 1\n-000096e0: 3239 342e 3434 2c2d 3734 332e 3937 222f  294.44,-743.97\"/\n-000096f0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00009700: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n-00009710: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64  ools&#45;&gt;mod\n-00009720: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00009730: 6d64 7479 7065 7320 2d2d 3e0a 3c67 2069  mdtypes -->.<g i\n-00009740: 643d 2265 6467 6534 3822 2063 6c61 7373  d=\"edge48\" class\n-00009750: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-00009760: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00009770: 6373 5f74 6f6f 6c73 2623 3435 3b26 6774  cs_tools&#45;&gt\n-00009780: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00009790: 6163 735f 6d64 7479 7065 733c 2f74 6974  acs_mdtypes</tit\n-000097a0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-000097b0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n-000097c0: 6662 6662 6622 2064 3d22 4d31 3138 342e  fbfbf\" d=\"M1184.\n-000097d0: 3136 2c2d 3132 3138 2e33 3143 3131 3433  16,-1218.31C1143\n-000097e0: 2e37 362c 2d31 3231 302e 3533 2031 3036  .76,-1210.53 106\n-000097f0: 312e 3433 2c2d 3131 3933 2e38 3320 3939  1.43,-1193.83 99\n-00009800: 332c 2d31 3137 342e 3533 2038 3731 2c2d  3,-1174.53 871,-\n-00009810: 3131 3430 2e31 3220 3738 392e 3434 2c2d  1140.12 789.44,-\n-00009820: 3131 3634 2e32 2037 3337 2c2d 3130 3438  1164.2 737,-1048\n-00009830: 2e37 3920 3733 322e 3036 2c2d 3130 3337  .79 732.06,-1037\n-00009840: 2e39 3220 3733 332e 3139 2c2d 3130 3333  .92 733.19,-1033\n-00009850: 2e32 3420 3733 372c 2d31 3032 312e 3932  .24 737,-1021.92\n-00009860: 2037 3838 2e31 312c 2d38 3639 2e39 3320   788.11,-869.93 \n-00009870: 3839 372e 3839 2c2d 3838 342e 3238 2039  897.89,-884.28 9\n-00009880: 3535 2c2d 3733 342e 3434 2039 3631 2e34  55,-734.44 961.4\n-00009890: 332c 2d37 3137 2e35 3820 3936 322e 3638  3,-717.58 962.68\n-000098a0: 2c2d 3639 372e 3039 2039 3632 2e34 362c  ,-697.09 962.46,\n-000098b0: 2d36 3831 2e37 3422 2f3e 0a3c 706f 6c79  -681.74\"/>.<poly\n-000098c0: 676f 6e20 6669 6c6c 3d22 2362 6662 6662  gon fill=\"#bfbfb\n-000098d0: 6622 2073 7472 6f6b 653d 2223 6266 6266  f\" stroke=\"#bfbf\n-000098e0: 6266 2220 706f 696e 7473 3d22 3936 352e  bf\" points=\"965.\n-000098f0: 3935 2c2d 3638 312e 3437 2039 3632 2e31  95,-681.47 962.1\n-00009900: 2c2d 3637 312e 3620 3935 382e 3936 2c2d  ,-671.6 958.96,-\n-00009910: 3638 312e 3732 2039 3635 2e39 352c 2d36  681.72 965.95,-6\n-00009920: 3831 2e34 3722 2f3e 0a3c 2f67 3e0a 3c21  81.47\"/>.</g>.<!\n-00009930: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00009940: 6f6d 6163 735f 746f 6f6c 7326 2334 353b  omacs_tools&#45;\n-00009950: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00009960: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69  romacs_commandli\n-00009970: 6e65 202d 2d3e 0a3c 6720 6964 3d22 6564  ne -->.<g id=\"ed\n-00009980: 6765 3432 2220 636c 6173 733d 2265 6467  ge42\" class=\"edg\n-00009990: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-000099a0: 655f 7372 635f 6772 6f6d 6163 735f 746f  e_src_gromacs_to\n-000099b0: 6f6c 7326 2334 353b 2667 743b 6d6f 6475  ols&#45;&gt;modu\n-000099c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63  le_src_gromacs_c\n-000099d0: 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 746c  ommandline</titl\n-000099e0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-000099f0: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61  one\" stroke=\"bla\n-00009a00: 636b 2220 7374 726f 6b65 2d64 6173 6861  ck\" stroke-dasha\n-00009a10: 7272 6179 3d22 352c 3222 2064 3d22 4d31  rray=\"5,2\" d=\"M1\n-00009a20: 3233 362e 3038 2c2d 3132 3232 2e38 3143  236.08,-1222.81C\n-00009a30: 3133 3934 2e37 322c 2d31 3232 312e 3736  1394.72,-1221.76\n-00009a40: 2032 3230 302e 3033 2c2d 3132 3134 2e34   2200.03,-1214.4\n-00009a50: 3720 3233 3032 2c2d 3131 3734 2e35 3320  7 2302,-1174.53 \n-00009a60: 3233 3530 2e32 352c 2d31 3135 352e 3634  2350.25,-1155.64\n-00009a70: 2032 3339 312c 2d31 3135 312e 3034 2032   2391,-1151.04 2\n-00009a80: 3339 312c 2d31 3039 392e 3233 2032 3339  391,-1099.23 239\n-00009a90: 312c 2d31 3039 392e 3233 2032 3339 312c  1,-1099.23 2391,\n-00009aa0: 2d31 3039 392e 3233 2032 3339 312c 2d32  -1099.23 2391,-2\n-00009ab0: 3137 2e30 3520 3233 3931 2c2d 3133 302e  17.05 2391,-130.\n-00009ac0: 3220 3230 3936 2e34 2c2d 3130 332e 3539  2 2096.4,-103.59\n-00009ad0: 2031 3936 352e 3437 2c2d 3936 2e30 3622   1965.47,-96.06\"\n-00009ae0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00009af0: 3d22 626c 6163 6b22 2073 7472 6f6b 653d  =\"black\" stroke=\n-00009b00: 2262 6c61 636b 2220 706f 696e 7473 3d22  \"black\" points=\"\n-00009b10: 3139 3635 2e33 382c 2d39 322e 3534 2031  1965.38,-92.54 1\n-00009b20: 3935 352e 322c 2d39 352e 3438 2031 3936  955.2,-95.48 196\n-00009b30: 342e 3939 2c2d 3939 2e35 3320 3139 3635  4.99,-99.53 1965\n-00009b40: 2e33 382c 2d39 322e 3534 222f 3e0a 3c2f  .38,-92.54\"/>.</\n-00009b50: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00009b60: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73  rc_gromacs_tools\n-00009b70: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00009b80: 7372 635f 6772 6f6d 6163 735f 6c69 7374  src_gromacs_list\n-00009b90: 6564 5f66 6f72 6365 7320 2d2d 3e0a 3c67  ed_forces -->.<g\n-00009ba0: 2069 643d 2265 6467 6535 3322 2063 6c61   id=\"edge53\" cla\n-00009bb0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00009bc0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00009bd0: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26  macs_tools&#45;&\n-00009be0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00009bf0: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72  omacs_listed_for\n-00009c00: 6365 733c 2f74 6974 6c65 3e0a 3c70 6174  ces</title>.<pat\n-00009c10: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00009c20: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n-00009c30: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n-00009c40: 2235 2c32 2220 643d 224d 3131 3832 2e32  \"5,2\" d=\"M1182.2\n-00009c50: 322c 2d31 3232 312e 3534 4331 3030 392e  2,-1221.54C1009.\n-00009c60: 3235 2c2d 3132 3132 2e31 3420 3537 2c2d  25,-1212.14 57,-\n-00009c70: 3131 3537 2e37 3520 3537 2c2d 3130 3939  1157.75 57,-1099\n-00009c80: 2e32 3320 3537 2c2d 3130 3939 2e32 3320  .23 57,-1099.23 \n-00009c90: 3537 2c2d 3130 3939 2e32 3320 3537 2c2d  57,-1099.23 57,-\n-00009ca0: 3430 352e 3636 2035 372c 2d33 3336 2e34  405.66 57,-336.4\n-00009cb0: 3220 3536 352e 3439 2c2d 3239 372e 3035  2 565.49,-297.05\n-00009cc0: 2037 3431 2e31 352c 2d32 3835 2e35 3222   741.15,-285.52\"\n-00009cd0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00009ce0: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-00009cf0: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n-00009d00: 7473 3d22 3734 312e 352c 2d32 3839 2037  ts=\"741.5,-289 7\n-00009d10: 3531 2e32 352c 2d32 3834 2e38 3620 3734  51.25,-284.86 74\n-00009d20: 312e 3034 2c2d 3238 322e 3032 2037 3431  1.04,-282.02 741\n-00009d30: 2e35 2c2d 3238 3922 2f3e 0a3c 2f67 3e0a  .5,-289\"/>.</g>.\n-00009d40: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00009d50: 6772 6f6d 6163 735f 746f 6f6c 7326 2334  gromacs_tools&#4\n-00009d60: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00009d70: 5f67 726f 6d61 6373 5f72 616e 646f 6d20  _gromacs_random \n-00009d80: 2d2d 3e0a 3c67 2069 643d 2265 6467 6534  -->.<g id=\"edge4\n-00009d90: 3922 2063 6c61 7373 3d22 6564 6765 223e  9\" class=\"edge\">\n-00009da0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00009db0: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73  rc_gromacs_tools\n-00009dc0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00009dd0: 7372 635f 6772 6f6d 6163 735f 7261 6e64  src_gromacs_rand\n-00009de0: 6f6d 3c2f 7469 746c 653e 0a3c 7061 7468  om</title>.<path\n-00009df0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-00009e00: 6f6b 653d 2262 6c61 636b 2220 7374 726f  oke=\"black\" stro\n-00009e10: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-00009e20: 3222 2064 3d22 4d31 3233 362e 3133 2c2d  2\" d=\"M1236.13,-\n-00009e30: 3132 3233 2e30 3943 3133 3734 2e31 342c  1223.09C1374.14,\n-00009e40: 2d31 3232 332e 3438 2031 3939 392e 3131  -1223.48 1999.11\n-00009e50: 2c2d 3132 3232 2e35 3520 3231 3836 2c2d  ,-1222.55 2186,-\n-00009e60: 3131 3734 2e35 3320 3232 3536 2e33 332c  1174.53 2256.33,\n-00009e70: 2d31 3135 362e 3436 2032 3333 312c 2d31  -1156.46 2331,-1\n-00009e80: 3137 312e 3834 2032 3333 312c 2d31 3039  171.84 2331,-109\n-00009e90: 392e 3233 2032 3333 312c 2d31 3039 392e  9.23 2331,-1099.\n-00009ea0: 3233 2032 3333 312c 2d31 3039 392e 3233  23 2331,-1099.23\n-00009eb0: 2032 3333 312c 2d32 3739 2e39 3220 3233   2331,-279.92 23\n-00009ec0: 3331 2c2d 3234 312e 3539 2032 3332 312e  31,-241.59 2321.\n-00009ed0: 3131 2c2d 3232 352e 3532 2032 3238 392c  11,-225.52 2289,\n-00009ee0: 2d32 3034 2e36 3120 3232 3136 2e34 342c  -204.61 2216.44,\n-00009ef0: 2d31 3537 2e33 3520 3139 3836 2e37 372c  -157.35 1986.77,\n-00009f00: 2d31 3830 2e35 3220 3139 3031 2c2d 3136  -180.52 1901,-16\n-00009f10: 382e 3631 2031 3839 322e 3036 2c2d 3136  8.61 1892.06,-16\n-00009f20: 372e 3337 2031 3838 322e 352c 2d31 3635  7.37 1882.5,-165\n-00009f30: 2e37 3620 3138 3733 2e34 382c 2d31 3634  .76 1873.48,-164\n-00009f40: 2e31 3222 2f3e 0a3c 706f 6c79 676f 6e20  .12\"/>.<polygon \n-00009f50: 6669 6c6c 3d22 626c 6163 6b22 2073 7472  fill=\"black\" str\n-00009f60: 6f6b 653d 2262 6c61 636b 2220 706f 696e  oke=\"black\" poin\n-00009f70: 7473 3d22 3138 3734 2e30 362c 2d31 3630  ts=\"1874.06,-160\n-00009f80: 2e36 3720 3138 3633 2e35 392c 2d31 3632  .67 1863.59,-162\n-00009f90: 2e32 3720 3138 3732 2e37 372c 2d31 3637  .27 1872.77,-167\n-00009fa0: 2e35 3520 3138 3734 2e30 362c 2d31 3630  .55 1874.06,-160\n-00009fb0: 2e36 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .67\"/>.</g>.<!--\n-00009fc0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-00009fd0: 6163 735f 746f 6f6c 7326 2334 353b 2667  acs_tools&#45;&g\n-00009fe0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00009ff0: 6d61 6373 5f65 7761 6c64 202d 2d3e 0a3c  macs_ewald -->.<\n-0000a000: 6720 6964 3d22 6564 6765 3433 2220 636c  g id=\"edge43\" cl\n-0000a010: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-0000a020: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-0000a030: 6f6d 6163 735f 746f 6f6c 7326 2334 353b  omacs_tools&#45;\n-0000a040: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0000a050: 726f 6d61 6373 5f65 7761 6c64 3c2f 7469  romacs_ewald</ti\n-0000a060: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-0000a070: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-0000a080: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n-0000a090: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-0000a0a0: 3d22 4d31 3138 322e 3031 2c2d 3132 3231  =\"M1182.01,-1221\n-0000a0b0: 2e37 3443 3130 3333 2e34 312c 2d31 3231  .74C1033.41,-121\n-0000a0c0: 342e 3937 2033 3139 2e39 352c 2d31 3138  4.97 319.95,-118\n-0000a0d0: 322e 3136 2032 3734 2c2d 3131 3734 2e35  2.16 274,-1174.5\n-0000a0e0: 3320 3136 342e 3937 2c2d 3131 3536 2e34  3 164.97,-1156.4\n-0000a0f0: 3420 3337 2c2d 3132 3039 2e37 3520 3337  4 37,-1209.75 37\n-0000a100: 2c2d 3130 3939 2e32 3320 3337 2c2d 3130  ,-1099.23 37,-10\n-0000a110: 3939 2e32 3320 3337 2c2d 3130 3939 2e32  99.23 37,-1099.2\n-0000a120: 3320 3337 2c2d 3237 392e 3932 2033 372c  3 37,-279.92 37,\n-0000a130: 2d31 3736 2e32 3720 3431 372e 3139 2c2d  -176.27 417.19,-\n-0000a140: 3135 392e 3434 2035 3431 2e39 2c2d 3135  159.44 541.9,-15\n-0000a150: 362e 3731 222f 3e0a 3c70 6f6c 7967 6f6e  6.71\"/>.<polygon\n-0000a160: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n-0000a170: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-0000a180: 2070 6f69 6e74 733d 2235 3432 2e32 312c   points=\"542.21,\n-0000a190: 2d31 3630 2e32 2035 3532 2e31 342c 2d31  -160.2 552.14,-1\n-0000a1a0: 3536 2e35 2035 3432 2e30 372c 2d31 3533  56.5 542.07,-153\n-0000a1b0: 2e32 2035 3432 2e32 312c 2d31 3630 2e32  .2 542.21,-160.2\n-0000a1c0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-0000a1d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000a1e0: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d  _tools&#45;&gt;m\n-0000a1f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000a200: 735f 6669 6c65 696f 202d 2d3e 0a3c 6720  s_fileio -->.<g \n-0000a210: 6964 3d22 6564 6765 3435 2220 636c 6173  id=\"edge45\" clas\n-0000a220: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-0000a230: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-0000a240: 6163 735f 746f 6f6c 7326 2334 353b 2667  acs_tools&#45;&g\n-0000a250: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0000a260: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974  macs_fileio</tit\n-0000a270: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-0000a280: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n-0000a290: 6662 6662 6622 2064 3d22 4d31 3231 302e  fbfbf\" d=\"M1210.\n-0000a2a0: 372c 2d31 3231 302e 3335 4331 3231 332e  7,-1210.35C1213.\n-0000a2b0: 3535 2c2d 3131 3837 2e39 3920 3132 3139  55,-1187.99 1219\n-0000a2c0: 2c2d 3131 3339 2e39 3620 3132 3139 2c2d  ,-1139.96 1219,-\n-0000a2d0: 3130 3939 2e32 3320 3132 3139 2c2d 3130  1099.23 1219,-10\n-0000a2e0: 3939 2e32 3320 3132 3139 2c2d 3130 3939  99.23 1219,-1099\n-0000a2f0: 2e32 3320 3132 3139 2c2d 3130 3334 2e33  .23 1219,-1034.3\n-0000a300: 3620 3132 3139 2c2d 3130 3030 2e35 3920  6 1219,-1000.59 \n-0000a310: 3132 3035 2e33 312c 2d39 3833 2e31 3120  1205.31,-983.11 \n-0000a320: 3132 3239 2c2d 3935 392e 3035 2031 3234  1229,-959.05 124\n-0000a330: 392e 3132 2c2d 3933 382e 3631 2031 3433  9.12,-938.61 143\n-0000a340: 372e 3639 2c2d 3932 302e 3438 2031 3531  7.69,-920.48 151\n-0000a350: 382e 3531 2c2d 3931 332e 3538 222f 3e0a  8.51,-913.58\"/>.\n-0000a360: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-0000a370: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n-0000a380: 2362 6662 6662 6622 2070 6f69 6e74 733d  #bfbfbf\" points=\n-0000a390: 2231 3531 392e 3035 2c2d 3931 372e 3034  \"1519.05,-917.04\n-0000a3a0: 2031 3532 382e 3732 2c2d 3931 322e 3732   1528.72,-912.72\n-0000a3b0: 2031 3531 382e 3436 2c2d 3931 302e 3037   1518.46,-910.07\n-0000a3c0: 2031 3531 392e 3035 2c2d 3931 372e 3034   1519.05,-917.04\n-0000a3d0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-0000a3e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000a3f0: 5f75 7469 6c69 7479 202d 2d3e 0a3c 6720  _utility -->.<g \n-0000a400: 6964 3d22 6e6f 6465 3522 2063 6c61 7373  id=\"node5\" class\n-0000a410: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e  =\"node\">.<title>\n-0000a420: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000a430: 6373 5f75 7469 6c69 7479 3c2f 7469 746c  cs_utility</titl\n-0000a440: 653e 0a3c 6720 6964 3d22 615f 6e6f 6465  e>.<g id=\"a_node\n-0000a450: 3522 3e3c 6120 786c 696e 6b3a 6872 6566  5\"><a xlink:href\n-0000a460: 3d22 6772 6f75 705f 5f6d 6f64 756c 655f  =\"group__module_\n-0000a470: 5f75 7469 6c69 7479 2e78 6874 6d6c 2220  _utility.xhtml\" \n-0000a480: 7461 7267 6574 3d22 5f74 6f70 2220 786c  target=\"_top\" xl\n-0000a490: 696e 6b3a 7469 746c 653d 2275 7469 6c69  ink:title=\"utili\n-0000a4a0: 7479 223e 0a3c 656c 6c69 7073 6520 6669  ty\">.<ellipse fi\n-0000a4b0: 6c6c 3d22 2366 6665 3463 6322 2073 7472  ll=\"#ffe4cc\" str\n-0000a4c0: 6f6b 653d 2262 6c61 636b 2220 6378 3d22  oke=\"black\" cx=\"\n-0000a4d0: 3534 3222 2063 793d 222d 3436 392e 3533  542\" cy=\"-469.53\n-0000a4e0: 2220 7278 3d22 3238 2e30 3722 2072 793d  \" rx=\"28.07\" ry=\n-0000a4f0: 2231 332e 3337 222f 3e0a 3c74 6578 7420  \"13.37\"/>.<text \n-0000a500: 7465 7874 2d61 6e63 686f 723d 226d 6964  text-anchor=\"mid\n-0000a510: 646c 6522 2078 3d22 3534 3222 2079 3d22  dle\" x=\"542\" y=\"\n-0000a520: 2d34 3637 2e30 3322 2066 6f6e 742d 6661  -467.03\" font-fa\n-0000a530: 6d69 6c79 3d22 4672 6565 5361 6e73 2220  mily=\"FreeSans\" \n-0000a540: 666f 6e74 2d73 697a 653d 2231 302e 3030  font-size=\"10.00\n-0000a550: 223e 7574 696c 6974 793c 2f74 6578 743e  \">utility</text>\n-0000a560: 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a  .</a>.</g>.</g>.\n-0000a570: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-0000a580: 6772 6f6d 6163 735f 7574 696c 6974 7926  gromacs_utility&\n-0000a590: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0000a5a0: 7263 5f67 726f 6d61 6373 5f63 6f6d 7061  rc_gromacs_compa\n-0000a5b0: 7420 2d2d 3e0a 3c67 2069 643d 2265 6467  t -->.<g id=\"edg\n-0000a5c0: 6535 3522 2063 6c61 7373 3d22 6564 6765  e55\" class=\"edge\n-0000a5d0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-0000a5e0: 5f73 7263 5f67 726f 6d61 6373 5f75 7469  _src_gromacs_uti\n-0000a5f0: 6c69 7479 2623 3435 3b26 6774 3b6d 6f64  lity&#45;&gt;mod\n-0000a600: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000a610: 636f 6d70 6174 3c2f 7469 746c 653e 0a3c  compat</title>.<\n-0000a620: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-0000a630: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-0000a640: 2220 643d 224d 3534 372e 3534 2c2d 3435  \" d=\"M547.54,-45\n-0000a650: 362e 3235 4335 3534 2e37 332c 2d34 3430  6.25C554.73,-440\n-0000a660: 2e38 3920 3536 382e 3132 2c2d 3431 342e  .89 568.12,-414.\n-0000a670: 3036 2035 3833 2c2d 3339 332e 3232 2036  06 583,-393.22 6\n-0000a680: 3436 2e32 312c 2d33 3034 2e36 3720 3733  46.21,-304.67 73\n-0000a690: 392e 3033 2c2d 3231 332e 3438 2037 3739  9.03,-213.48 779\n-0000a6a0: 2e36 382c 2d31 3735 2e30 3522 2f3e 0a3c  .68,-175.05\"/>.<\n-0000a6b0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n-0000a6c0: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n-0000a6d0: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n-0000a6e0: 3738 322e 322c 2d31 3737 2e34 3920 3738  782.2,-177.49 78\n-0000a6f0: 372e 3039 2c2d 3136 382e 3039 2037 3737  7.09,-168.09 777\n-0000a700: 2e34 2c2d 3137 322e 3339 2037 3832 2e32  .4,-172.39 782.2\n-0000a710: 2c2d 3137 372e 3439 222f 3e0a 3c2f 673e  ,-177.49\"/>.</g>\n-0000a720: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-0000a730: 5f67 726f 6d61 6373 5f75 7469 6c69 7479  _gromacs_utility\n-0000a740: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0000a750: 7372 635f 6772 6f6d 6163 735f 6770 755f  src_gromacs_gpu_\n-0000a760: 7574 696c 7320 2d2d 3e0a 3c67 2069 643d  utils -->.<g id=\n-0000a770: 2265 6467 6535 3422 2063 6c61 7373 3d22  \"edge54\" class=\"\n-0000a780: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-0000a790: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000a7a0: 5f75 7469 6c69 7479 2623 3435 3b26 6774  _utility&#45;&gt\n-0000a7b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0000a7c0: 6163 735f 6770 755f 7574 696c 733c 2f74  acs_gpu_utils</t\n-0000a7d0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-0000a7e0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-0000a7f0: 2362 6662 6662 6622 2064 3d22 4d35 3533  #bfbfbf\" d=\"M553\n-0000a800: 2e35 322c 2d34 3537 2e30 3843 3536 352e  .52,-457.08C565.\n-0000a810: 3839 2c2d 3434 372e 3636 2035 3835 2e35  89,-447.66 585.5\n-0000a820: 372c 2d34 3334 2e32 3120 3630 322e 3232  7,-434.21 602.22\n-0000a830: 2c2d 3432 332e 3732 222f 3e0a 3c70 6f6c  ,-423.72\"/>.<pol\n-0000a840: 7967 6f6e 2066 696c 6c3d 2223 6266 6266  ygon fill=\"#bfbf\n-0000a850: 6266 2220 7374 726f 6b65 3d22 2362 6662  bf\" stroke=\"#bfb\n-0000a860: 6662 6622 2070 6f69 6e74 733d 2236 3034  fbf\" points=\"604\n-0000a870: 2e34 322c 2d34 3236 2e34 3720 3631 312e  .42,-426.47 611.\n-0000a880: 3039 2c2d 3431 382e 3234 2036 3030 2e37  09,-418.24 600.7\n-0000a890: 342c 2d34 3230 2e35 3220 3630 342e 3432  4,-420.52 604.42\n-0000a8a0: 2c2d 3432 362e 3437 222f 3e0a 3c2f 673e  ,-426.47\"/>.</g>\n-0000a8b0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-0000a8c0: 5f67 726f 6d61 6373 5f6d 696d 6963 2623  _gromacs_mimic&#\n-0000a8d0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0000a8e0: 635f 6772 6f6d 6163 735f 6d64 6c69 6220  c_gromacs_mdlib \n-0000a8f0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6535  -->.<g id=\"edge5\n-0000a900: 3622 2063 6c61 7373 3d22 6564 6765 223e  6\" class=\"edge\">\n-0000a910: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-0000a920: 7263 5f67 726f 6d61 6373 5f6d 696d 6963  rc_gromacs_mimic\n-0000a930: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0000a940: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n-0000a950: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n-0000a960: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-0000a970: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n-0000a980: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-0000a990: 2c32 2220 643d 224d 3130 3634 2e38 392c  ,2\" d=\"M1064.89,\n-0000a9a0: 2d38 3937 2e36 4331 3039 372e 3039 2c2d  -897.6C1097.09,-\n-0000a9b0: 3837 322e 3737 2031 3137 322e 3636 2c2d  872.77 1172.66,-\n-0000a9c0: 3830 382e 3732 2031 3230 322c 2d37 3334  808.72 1202,-734\n-0000a9d0: 2e34 3420 3132 3732 2e34 2c2d 3535 362e  .44 1272.4,-556.\n-0000a9e0: 3233 2031 3233 372e 3637 2c2d 3331 352e  23 1237.67,-315.\n-0000a9f0: 3738 2031 3232 342e 3339 2c2d 3234 312e  78 1224.39,-241.\n-0000aa00: 3731 222f 3e0a 3c70 6f6c 7967 6f6e 2066  71\"/>.<polygon f\n-0000aa10: 696c 6c3d 2223 3238 3266 6363 2220 7374  ill=\"#282fcc\" st\n-0000aa20: 726f 6b65 3d22 2332 3832 6663 6322 2070  roke=\"#282fcc\" p\n-0000aa30: 6f69 6e74 733d 2231 3232 372e 3739 2c2d  oints=\"1227.79,-\n-0000aa40: 3234 302e 3834 2031 3232 322e 3533 2c2d  240.84 1222.53,-\n-0000aa50: 3233 312e 3635 2031 3232 302e 392c 2d32  231.65 1220.9,-2\n-0000aa60: 3432 2e31 3220 3132 3237 2e37 392c 2d32  42.12 1227.79,-2\n-0000aa70: 3430 2e38 3422 2f3e 0a3c 2f67 3e0a 3c21  40.84\"/>.</g>.<!\n-0000aa80: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-0000aa90: 6f6d 6163 735f 6666 7426 2334 353b 2667  omacs_fft&#45;&g\n-0000aaa0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0000aab0: 6d61 6373 5f68 6172 6477 6172 6520 2d2d  macs_hardware --\n-0000aac0: 3e0a 3c67 2069 643d 2265 6467 6535 3822  >.<g id=\"edge58\"\n-0000aad0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-0000aae0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-0000aaf0: 5f67 726f 6d61 6373 5f66 6674 2623 3435  _gromacs_fft&#45\n-0000ab00: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0000ab10: 6772 6f6d 6163 735f 6861 7264 7761 7265  gromacs_hardware\n-0000ab20: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-0000ab30: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-0000ab40: 653d 2272 6564 2220 643d 224d 3536 372e  e=\"red\" d=\"M567.\n-0000ab50: 3335 2c2d 3130 332e 3938 4335 3239 2e37  35,-103.98C529.7\n-0000ab60: 342c 2d31 3334 2e33 3820 3432 352e 3036  4,-134.38 425.06\n-0000ab70: 2c2d 3232 352e 3938 2033 3839 2c2d 3333  ,-225.98 389,-33\n-0000ab80: 302e 3335 2033 3735 2e38 342c 2d33 3638  0.35 375.84,-368\n-0000ab90: 2e34 3420 3338 312e 3931 2c2d 3338 352e  .44 381.91,-385.\n-0000aba0: 3135 2034 3032 2c2d 3432 302e 3039 2034  15 402,-420.09 4\n-0000abb0: 3038 2e39 382c 2d34 3332 2e32 3420 3432  08.98,-432.24 42\n-0000abc0: 302e 312c 2d34 3432 2e39 3720 3433 302e  0.1,-442.97 430.\n-0000abd0: 3433 2c2d 3435 312e 3233 222f 3e0a 3c70  43,-451.23\"/>.<p\n-0000abe0: 6f6c 7967 6f6e 2066 696c 6c3d 2272 6564  olygon fill=\"red\n-0000abf0: 2220 7374 726f 6b65 3d22 7265 6422 2070  \" stroke=\"red\" p\n-0000ac00: 6f69 6e74 733d 2234 3238 2e33 372c 2d34  oints=\"428.37,-4\n-0000ac10: 3534 2e30 3620 3433 382e 3436 2c2d 3435  54.06 438.46,-45\n-0000ac20: 372e 3320 3433 322e 3539 2c2d 3434 382e  7.3 432.59,-448.\n-0000ac30: 3438 2034 3238 2e33 372c 2d34 3534 2e30  48 428.37,-454.0\n-0000ac40: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  6\"/>.</g>.<!-- m\n-0000ac50: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000ac60: 735f 6666 7426 2334 353b 2667 743b 6d6f  s_fft&#45;&gt;mo\n-0000ac70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000ac80: 5f67 7075 5f75 7469 6c73 202d 2d3e 0a3c  _gpu_utils -->.<\n-0000ac90: 6720 6964 3d22 6564 6765 3537 2220 636c  g id=\"edge57\" cl\n-0000aca0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-0000acb0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-0000acc0: 6f6d 6163 735f 6666 7426 2334 353b 2667  omacs_fft&#45;&g\n-0000acd0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0000ace0: 6d61 6373 5f67 7075 5f75 7469 6c73 3c2f  macs_gpu_utils</\n-0000acf0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-0000ad00: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-0000ad10: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-0000ad20: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n-0000ad30: 2064 3d22 4d35 3638 2e34 332c 2d31 3034   d=\"M568.43,-104\n-0000ad40: 2e36 3543 3535 392e 3432 2c2d 3131 332e  .65C559.42,-113.\n-0000ad50: 3639 2035 3438 2e30 332c 2d31 3237 2e31  69 548.03,-127.1\n-0000ad60: 3920 3534 332c 2d31 3431 2e37 3420 3533  9 543,-141.74 53\n-0000ad70: 392e 312c 2d31 3533 2e30 3320 3534 312e  9.1,-153.03 541.\n-0000ad80: 3635 2c2d 3135 362e 3734 2035 3433 2c2d  65,-156.74 543,-\n-0000ad90: 3136 382e 3631 2035 3532 2e38 312c 2d32  168.61 552.81,-2\n-0000ada0: 3534 2e37 3820 3535 312e 3431 2c2d 3238  54.78 551.41,-28\n-0000adb0: 312e 3132 2035 3933 2c2d 3335 372e 3232  1.12 593,-357.22\n-0000adc0: 2035 3938 2e35 392c 2d33 3637 2e34 3520   598.59,-367.45 \n-0000add0: 3630 362e 3431 2c2d 3337 372e 3637 2036  606.41,-377.67 6\n-0000ade0: 3133 2e35 372c 2d33 3836 2e30 3722 2f3e  13.57,-386.07\"/>\n-0000adf0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-0000ae00: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n-0000ae10: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n-0000ae20: 3d22 3631 312e 3137 2c2d 3338 382e 3633  =\"611.17,-388.63\n-0000ae30: 2036 3230 2e34 322c 2d33 3933 2e37 3920   620.42,-393.79 \n-0000ae40: 3631 362e 342c 2d33 3833 2e39 3820 3631  616.4,-383.98 61\n-0000ae50: 312e 3137 2c2d 3338 382e 3633 222f 3e0a  1.17,-388.63\"/>.\n-0000ae60: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-0000ae70: 5f73 7263 5f67 726f 6d61 6373 5f74 696d  _src_gromacs_tim\n-0000ae80: 696e 6720 2d2d 3e0a 3c67 2069 643d 226e  ing -->.<g id=\"n\n-0000ae90: 6f64 6538 2220 636c 6173 733d 226e 6f64  ode8\" class=\"nod\n-0000aea0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-0000aeb0: 655f 7372 635f 6772 6f6d 6163 735f 7469  e_src_gromacs_ti\n-0000aec0: 6d69 6e67 3c2f 7469 746c 653e 0a3c 656c  ming</title>.<el\n-0000aed0: 6c69 7073 6520 6669 6c6c 3d22 2362 6662  lipse fill=\"#bfb\n-0000aee0: 6662 6622 2073 7472 6f6b 653d 2262 6c61  fbf\" stroke=\"bla\n-0000aef0: 636b 2220 6378 3d22 3838 3822 2063 793d  ck\" cx=\"888\" cy=\n-0000af00: 222d 3732 312e 3031 2220 7278 3d22 3330  \"-721.01\" rx=\"30\n-0000af10: 2e33 3122 2072 793d 2231 332e 3337 222f  .31\" ry=\"13.37\"/\n-0000af20: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63  >.<text text-anc\n-0000af30: 686f 723d 226d 6964 646c 6522 2078 3d22  hor=\"middle\" x=\"\n-0000af40: 3838 3822 2079 3d22 2d37 3138 2e35 3122  888\" y=\"-718.51\"\n-0000af50: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672   font-family=\"Fr\n-0000af60: 6565 5361 6e73 2220 666f 6e74 2d73 697a  eeSans\" font-siz\n-0000af70: 653d 2231 302e 3030 223e 7469 6d69 6e67  e=\"10.00\">timing\n-0000af80: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d  </text>.</g>.<!-\n-0000af90: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-0000afa0: 6d61 6373 5f74 696d 696e 6726 2334 353b  macs_timing&#45;\n-0000afb0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0000afc0: 726f 6d61 6373 5f6d 6474 7970 6573 202d  romacs_mdtypes -\n-0000afd0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3539  ->.<g id=\"edge59\n-0000afe0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-0000aff0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-0000b000: 635f 6772 6f6d 6163 735f 7469 6d69 6e67  c_gromacs_timing\n-0000b010: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0000b020: 7372 635f 6772 6f6d 6163 735f 6d64 7479  src_gromacs_mdty\n-0000b030: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174  pes</title>.<pat\n-0000b040: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-0000b050: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n-0000b060: 3d22 4d39 3031 2e33 392c 2d37 3038 2e38  =\"M901.39,-708.8\n-0000b070: 3443 3931 312e 3839 2c2d 3730 302e 3038  4C911.89,-700.08\n-0000b080: 2039 3236 2e37 332c 2d36 3837 2e37 3120   926.73,-687.71 \n-0000b090: 3933 382e 3937 2c2d 3637 372e 3522 2f3e  938.97,-677.5\"/>\n-0000b0a0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-0000b0b0: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n-0000b0c0: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n-0000b0d0: 3d22 3934 312e 3531 2c2d 3637 392e 3934  =\"941.51,-679.94\n-0000b0e0: 2039 3436 2e39 352c 2d36 3730 2e38 3520   946.95,-670.85 \n-0000b0f0: 3933 372e 3033 2c2d 3637 342e 3537 2039  937.03,-674.57 9\n-0000b100: 3431 2e35 312c 2d36 3739 2e39 3422 2f3e  41.51,-679.94\"/>\n-0000b110: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-0000b120: 655f 7372 635f 6772 6f6d 6163 735f 7461  e_src_gromacs_ta\n-0000b130: 626c 6573 202d 2d3e 0a3c 6720 6964 3d22  bles -->.<g id=\"\n-0000b140: 6e6f 6465 3922 2063 6c61 7373 3d22 6e6f  node9\" class=\"no\n-0000b150: 6465 223e 0a3c 7469 746c 653e 6d6f 6475  de\">.<title>modu\n-0000b160: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n-0000b170: 6162 6c65 733c 2f74 6974 6c65 3e0a 3c67  ables</title>.<g\n-0000b180: 2069 643d 2261 5f6e 6f64 6539 223e 3c61   id=\"a_node9\"><a\n-0000b190: 2078 6c69 6e6b 3a68 7265 663d 2267 726f   xlink:href=\"gro\n-0000b1a0: 7570 5f5f 6d6f 6475 6c65 5f5f 7461 626c  up__module__tabl\n-0000b1b0: 6573 2e78 6874 6d6c 2220 7461 7267 6574  es.xhtml\" target\n-0000b1c0: 3d22 5f74 6f70 2220 786c 696e 6b3a 7469  =\"_top\" xlink:ti\n-0000b1d0: 746c 653d 2274 6162 6c65 7322 3e0a 3c65  tle=\"tables\">.<e\n-0000b1e0: 6c6c 6970 7365 2066 696c 6c3d 2223 6666  llipse fill=\"#ff\n-0000b1f0: 6534 6363 2220 7374 726f 6b65 3d22 626c  e4cc\" stroke=\"bl\n-0000b200: 6163 6b22 2063 783d 2231 3131 3322 2063  ack\" cx=\"1113\" c\n-0000b210: 793d 222d 3135 352e 3138 2220 7278 3d22  y=\"-155.18\" rx=\"\n-0000b220: 3330 2e33 3122 2072 793d 2231 332e 3337  30.31\" ry=\"13.37\n-0000b230: 222f 3e0a 3c74 6578 7420 7465 7874 2d61  \"/>.<text text-a\n-0000b240: 6e63 686f 723d 226d 6964 646c 6522 2078  nchor=\"middle\" x\n-0000b250: 3d22 3131 3133 2220 793d 222d 3135 322e  =\"1113\" y=\"-152.\n-0000b260: 3638 2220 666f 6e74 2d66 616d 696c 793d  68\" font-family=\n-0000b270: 2246 7265 6553 616e 7322 2066 6f6e 742d  \"FreeSans\" font-\n-0000b280: 7369 7a65 3d22 3130 2e30 3022 3e74 6162  size=\"10.00\">tab\n-0000b290: 6c65 733c 2f74 6578 743e 0a3c 2f61 3e0a  les</text>.</a>.\n-0000b2a0: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d  </g>.</g>.<!-- m\n-0000b2b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000b2c0: 735f 7461 626c 6573 2623 3435 3b26 6774  s_tables&#45;&gt\n-0000b2d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0000b2e0: 6163 735f 6d64 7370 616e 202d 2d3e 0a3c  acs_mdspan -->.<\n-0000b2f0: 6720 6964 3d22 6564 6765 3631 2220 636c  g id=\"edge61\" cl\n-0000b300: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-0000b310: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-0000b320: 6f6d 6163 735f 7461 626c 6573 2623 3435  omacs_tables&#45\n-0000b330: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0000b340: 6772 6f6d 6163 735f 6d64 7370 616e 3c2f  gromacs_mdspan</\n-0000b350: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-0000b360: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-0000b370: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-0000b380: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n-0000b390: 2064 3d22 4d31 3133 372e 3037 2c2d 3134   d=\"M1137.07,-14\n-0000b3a0: 362e 3843 3131 3433 2e35 312c 2d31 3434  6.8C1143.51,-144\n-0000b3b0: 2e39 3820 3131 3530 2e34 382c 2d31 3433  .98 1150.48,-143\n-0000b3c0: 2e31 3620 3131 3537 2c2d 3134 312e 3734  .16 1157,-141.74\n-0000b3d0: 2031 3235 322e 3533 2c2d 3132 302e 3935   1252.53,-120.95\n-0000b3e0: 2031 3336 362e 332c 2d31 3035 2e37 3320   1366.3,-105.73 \n-0000b3f0: 3134 3237 2e32 362c 2d39 382e 3333 222f  1427.26,-98.33\"/\n-0000b400: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-0000b410: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-0000b420: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n-0000b430: 733d 2231 3432 372e 3738 2c2d 3130 312e  s=\"1427.78,-101.\n-0000b440: 3820 3134 3337 2e32 392c 2d39 372e 3133  8 1437.29,-97.13\n-0000b450: 2031 3432 362e 3935 2c2d 3934 2e38 3520   1426.95,-94.85 \n-0000b460: 3134 3237 2e37 382c 2d31 3031 2e38 222f  1427.78,-101.8\"/\n-0000b470: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-0000b480: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n-0000b490: 6162 6c65 7326 2334 353b 2667 743b 6d6f  ables&#45;&gt;mo\n-0000b4a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000b4b0: 5f6d 6474 7970 6573 202d 2d3e 0a3c 6720  _mdtypes -->.<g \n-0000b4c0: 6964 3d22 6564 6765 3632 2220 636c 6173  id=\"edge62\" clas\n-0000b4d0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-0000b4e0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-0000b4f0: 6163 735f 7461 626c 6573 2623 3435 3b26  acs_tables&#45;&\n-0000b500: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-0000b510: 6f6d 6163 735f 6d64 7479 7065 733c 2f74  omacs_mdtypes</t\n-0000b520: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-0000b530: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-0000b540: 2362 6662 6662 6622 2064 3d22 4d31 3130  #bfbfbf\" d=\"M110\n-0000b550: 382e 3234 2c2d 3136 382e 3532 4331 3038  8.24,-168.52C108\n-0000b560: 382e 3931 2c2d 3231 392e 3032 2031 3031  8.91,-219.02 101\n-0000b570: 352e 3339 2c2d 3431 352e 3039 2039 3734  5.39,-415.09 974\n-0000b580: 2c2d 3538 312e 3833 2039 3639 2e36 352c  ,-581.83 969.65,\n-0000b590: 2d35 3939 2e33 3420 3936 362e 3236 2c2d  -599.34 966.26,-\n-0000b5a0: 3631 392e 3520 3936 342e 3033 2c2d 3633  619.5 964.03,-63\n-0000b5b0: 342e 3535 222f 3e0a 3c70 6f6c 7967 6f6e  4.55\"/>.<polygon\n-0000b5c0: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n-0000b5d0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-0000b5e0: 2070 6f69 6e74 733d 2239 3630 2e35 362c   points=\"960.56,\n-0000b5f0: 2d36 3334 2e31 2039 3632 2e36 312c 2d36  -634.1 962.61,-6\n-0000b600: 3434 2e35 2039 3637 2e34 392c 2d36 3335  44.5 967.49,-635\n-0000b610: 2e30 3920 3936 302e 3536 2c2d 3633 342e  .09 960.56,-634.\n-0000b620: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  1\"/>.</g>.<!-- m\n-0000b630: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000b640: 735f 7461 626c 6573 2623 3435 3b26 6774  s_tables&#45;&gt\n-0000b650: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0000b660: 6163 735f 6669 6c65 696f 202d 2d3e 0a3c  acs_fileio -->.<\n-0000b670: 6720 6964 3d22 6564 6765 3630 2220 636c  g id=\"edge60\" cl\n-0000b680: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-0000b690: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-0000b6a0: 6f6d 6163 735f 7461 626c 6573 2623 3435  omacs_tables&#45\n-0000b6b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0000b6c0: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f  gromacs_fileio</\n-0000b6d0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-0000b6e0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-0000b6f0: 2223 6266 6266 6266 2220 643d 224d 3131  \"#bfbfbf\" d=\"M11\n-0000b700: 3431 2e38 382c 2d31 3539 2e35 3143 3131  41.88,-159.51C11\n-0000b710: 3839 2e32 382c 2d31 3635 2e34 3720 3132  89.28,-165.47 12\n-0000b720: 3836 2e32 2c2d 3137 392e 3732 2031 3336  86.2,-179.72 136\n-0000b730: 352c 2d32 3034 2e36 3120 3134 3330 2e30  5,-204.61 1430.0\n-0000b740: 342c 2d32 3235 2e31 3620 3134 3438 2e38  4,-225.16 1448.8\n-0000b750: 372c 2d32 3238 2e37 3320 3135 3035 2c2d  7,-228.73 1505,-\n-0000b760: 3236 372e 3438 2031 3633 342e 3936 2c2d  267.48 1634.96,-\n-0000b770: 3335 372e 3139 2031 3639 352e 3634 2c2d  357.19 1695.64,-\n-0000b780: 3337 332e 3034 2031 3735 362c 2d35 3138  373.04 1756,-518\n-0000b790: 2e39 3620 3137 3731 2e32 352c 2d35 3535  .96 1771.25,-555\n-0000b7a0: 2e38 3220 3137 3633 2e39 352c 2d35 3639  .82 1763.95,-569\n-0000b7b0: 2e36 3220 3137 3536 2c2d 3630 382e 3720  .62 1756,-608.7 \n-0000b7c0: 3137 3337 2e38 362c 2d36 3937 2e39 3320  1737.86,-697.93 \n-0000b7d0: 3137 3138 2e33 362c 2d37 3136 2e37 3120  1718.36,-716.71 \n-0000b7e0: 3136 3736 2c2d 3739 372e 3331 2031 3636  1676,-797.31 166\n-0000b7f0: 382e 332c 2d38 3131 2e39 3720 3136 3437  8.3,-811.97 1647\n-0000b800: 2e38 372c 2d38 3438 2e36 3420 3136 3336  .87,-848.64 1636\n-0000b810: 2c2d 3836 302e 3138 2031 3632 302e 3738  ,-860.18 1620.78\n-0000b820: 2c2d 3837 342e 3938 2031 3630 302e 3232  ,-874.98 1600.22\n-0000b830: 2c2d 3838 372e 3231 2031 3538 332e 3632  ,-887.21 1583.62\n-0000b840: 2c2d 3839 352e 3637 222f 3e0a 3c70 6f6c  ,-895.67\"/>.<pol\n-0000b850: 7967 6f6e 2066 696c 6c3d 2223 6266 6266  ygon fill=\"#bfbf\n-0000b860: 6266 2220 7374 726f 6b65 3d22 2362 6662  bf\" stroke=\"#bfb\n-0000b870: 6662 6622 2070 6f69 6e74 733d 2231 3538  fbf\" points=\"158\n-0000b880: 312e 3831 2c2d 3839 322e 3637 2031 3537  1.81,-892.67 157\n-0000b890: 342e 3337 2c2d 3930 302e 3232 2031 3538  4.37,-900.22 158\n-0000b8a0: 342e 3839 2c2d 3839 382e 3935 2031 3538  4.89,-898.95 158\n-0000b8b0: 312e 3831 2c2d 3839 322e 3637 222f 3e0a  1.81,-892.67\"/>.\n-0000b8c0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-0000b8d0: 5f73 7263 5f67 726f 6d61 6373 5f65 7373  _src_gromacs_ess\n-0000b8e0: 656e 7469 616c 6479 6e61 6d69 6373 2623  entialdynamics&#\n-0000b8f0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0000b900: 635f 6772 6f6d 6163 735f 646f 6d64 6563  c_gromacs_domdec\n-0000b910: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-0000b920: 3634 2220 636c 6173 733d 2265 6467 6522  64\" class=\"edge\"\n-0000b930: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-0000b940: 7372 635f 6772 6f6d 6163 735f 6573 7365  src_gromacs_esse\n-0000b950: 6e74 6961 6c64 796e 616d 6963 7326 2334  ntialdynamics&#4\n-0000b960: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-0000b970: 5f67 726f 6d61 6373 5f64 6f6d 6465 633c  _gromacs_domdec<\n-0000b980: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-0000b990: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-0000b9a0: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-0000b9b0: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n-0000b9c0: 2220 643d 224d 3133 3437 2e30 342c 2d31  \" d=\"M1347.04,-1\n-0000b9d0: 3638 2e37 3543 3133 3131 2e33 392c 2d32  68.75C1311.39,-2\n-0000b9e0: 3332 2e36 3720 3131 3433 2e38 352c 2d35  32.67 1143.85,-5\n-0000b9f0: 3236 2e35 3620 3936 342c 2d37 3334 2e34  26.56 964,-734.4\n-0000ba00: 3420 3838 362e 3737 2c2d 3832 332e 3731  4 886.77,-823.71\n-0000ba10: 2038 3732 2e30 342c 2d38 3533 2e30 3420   872.04,-853.04 \n-0000ba20: 3737 372c 2d39 3233 2e30 3520 3735 382e  777,-923.05 758.\n-0000ba30: 3135 2c2d 3933 362e 3933 2037 3334 2e37  15,-936.93 734.7\n-0000ba40: 382c 2d39 3439 2e30 3920 3731 362e 3138  8,-949.09 716.18\n-0000ba50: 2c2d 3935 372e 3735 222f 3e0a 3c70 6f6c  ,-957.75\"/>.<pol\n-0000ba60: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n-0000ba70: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n-0000ba80: 6663 6322 2070 6f69 6e74 733d 2237 3134  fcc\" points=\"714\n-0000ba90: 2e35 392c 2d39 3534 2e36 3320 3730 362e  .59,-954.63 706.\n-0000baa0: 3933 2c2d 3936 312e 3935 2037 3137 2e34  93,-961.95 717.4\n-0000bab0: 382c 2d39 3631 2037 3134 2e35 392c 2d39  8,-961 714.59,-9\n-0000bac0: 3534 2e36 3322 2f3e 0a3c 2f67 3e0a 3c21  54.63\"/>.</g>.<!\n-0000bad0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-0000bae0: 6f6d 6163 735f 6573 7365 6e74 6961 6c64  omacs_essentiald\n-0000baf0: 796e 616d 6963 7326 2334 353b 2667 743b  ynamics&#45;&gt;\n-0000bb00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000bb10: 6373 5f6d 646c 6962 202d 2d3e 0a3c 6720  cs_mdlib -->.<g \n-0000bb20: 6964 3d22 6564 6765 3637 2220 636c 6173  id=\"edge67\" clas\n-0000bb30: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-0000bb40: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-0000bb50: 6163 735f 6573 7365 6e74 6961 6c64 796e  acs_essentialdyn\n-0000bb60: 616d 6963 7326 2334 353b 2667 743b 6d6f  amics&#45;&gt;mo\n-0000bb70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000bb80: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c  _mdlib</title>.<\n-0000bb90: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-0000bba0: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n-0000bbb0: 2220 643d 224d 3133 3332 2e39 392c 2d31  \" d=\"M1332.99,-1\n-0000bbc0: 3638 2e32 3243 3133 3130 2e39 332c 2d31  68.22C1310.93,-1\n-0000bbd0: 3739 2031 3237 362e 3333 2c2d 3139 342e  79 1276.33,-194.\n-0000bbe0: 3731 2031 3235 312e 3133 2c2d 3230 352e  71 1251.13,-205.\n-0000bbf0: 3338 222f 3e0a 3c70 6f6c 7967 6f6e 2066  38\"/>.<polygon f\n-0000bc00: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n-0000bc10: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n-0000bc20: 6f69 6e74 733d 2231 3234 392e 3533 2c2d  oints=\"1249.53,-\n-0000bc30: 3230 322e 3236 2031 3234 312e 3634 2c2d  202.26 1241.64,-\n-0000bc40: 3230 392e 3334 2031 3235 322e 3232 2c2d  209.34 1252.22,-\n-0000bc50: 3230 382e 3732 2031 3234 392e 3533 2c2d  208.72 1249.53,-\n-0000bc60: 3230 322e 3236 222f 3e0a 3c2f 673e 0a3c  202.26\"/>.</g>.<\n-0000bc70: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-0000bc80: 726f 6d61 6373 5f65 7373 656e 7469 616c  romacs_essential\n-0000bc90: 6479 6e61 6d69 6373 2623 3435 3b26 6774  dynamics&#45;&gt\n-0000bca0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0000bcb0: 6163 735f 676d 786c 6962 202d 2d3e 0a3c  acs_gmxlib -->.<\n-0000bcc0: 6720 6964 3d22 6564 6765 3636 2220 636c  g id=\"edge66\" cl\n-0000bcd0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-0000bce0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-0000bcf0: 6f6d 6163 735f 6573 7365 6e74 6961 6c64  omacs_essentiald\n-0000bd00: 796e 616d 6963 7326 2334 353b 2667 743b  ynamics&#45;&gt;\n-0000bd10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000bd20: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65  cs_gmxlib</title\n-0000bd30: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-0000bd40: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n-0000bd50: 6662 6622 2064 3d22 4d31 3335 362e 382c  fbf\" d=\"M1356.8,\n-0000bd60: 2d31 3638 2e38 4331 3336 312e 3832 2c2d  -168.8C1361.82,-\n-0000bd70: 3139 332e 3136 2031 3337 312e 3234 2c2d  193.16 1371.24,-\n-0000bd80: 3234 382e 3333 2031 3336 352c 2d32 3934  248.33 1365,-294\n-0000bd90: 2e33 3520 3133 3531 2e31 2c2d 3339 362e  .35 1351.1,-396.\n-0000bda0: 3937 2031 3331 392e 3932 2c2d 3431 362e  97 1319.92,-416.\n-0000bdb0: 3739 2031 3330 332c 2d35 3138 2e39 3620  79 1303,-518.96 \n-0000bdc0: 3132 3931 2e39 2c2d 3538 352e 3939 2031  1291.9,-585.99 1\n-0000bdd0: 3330 302e 3138 2c2d 3630 332e 3931 2031  300.18,-603.91 1\n-0000bde0: 3239 342c 2d36 3731 2e35 3720 3132 3933  294,-671.57 1293\n-0000bdf0: 2e32 342c 2d36 3739 2e39 3220 3132 3932  .24,-679.92 1292\n-0000be00: 2e31 372c 2d36 3839 2e30 3620 3132 3931  .17,-689.06 1291\n-0000be10: 2e31 342c 2d36 3937 2e31 3222 2f3e 0a3c  .14,-697.12\"/>.<\n-0000be20: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n-0000be30: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n-0000be40: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n-0000be50: 3132 3837 2e36 342c 2d36 3936 2e39 3120  1287.64,-696.91 \n-0000be60: 3132 3839 2e38 2c2d 3730 372e 3238 2031  1289.8,-707.28 1\n-0000be70: 3239 342e 3538 2c2d 3639 372e 3833 2031  294.58,-697.83 1\n-0000be80: 3238 372e 3634 2c2d 3639 362e 3931 222f  287.64,-696.91\"/\n-0000be90: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-0000bea0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n-0000beb0: 7373 656e 7469 616c 6479 6e61 6d69 6373  ssentialdynamics\n-0000bec0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0000bed0: 7372 635f 6772 6f6d 6163 735f 6d64 7479  src_gromacs_mdty\n-0000bee0: 7065 7320 2d2d 3e0a 3c67 2069 643d 2265  pes -->.<g id=\"e\n-0000bef0: 6467 6536 3922 2063 6c61 7373 3d22 6564  dge69\" class=\"ed\n-0000bf00: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-0000bf10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n-0000bf20: 7373 656e 7469 616c 6479 6e61 6d69 6373  ssentialdynamics\n-0000bf30: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0000bf40: 7372 635f 6772 6f6d 6163 735f 6d64 7479  src_gromacs_mdty\n-0000bf50: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174  pes</title>.<pat\n-0000bf60: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-0000bf70: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n-0000bf80: 3d22 4d31 3239 302e 3834 2c2d 3136 302e  =\"M1290.84,-160.\n-0000bf90: 3934 4331 3235 352e 3533 2c2d 3136 362e  94C1255.53,-166.\n-0000bfa0: 3536 2031 3231 322e 3738 2c2d 3137 382e  56 1212.78,-178.\n-0000bfb0: 3637 2031 3138 332c 2d32 3034 2e36 3120  67 1183,-204.61 \n-0000bfc0: 3131 3237 2e31 342c 2d32 3533 2e32 3620  1127.14,-253.26 \n-0000bfd0: 3131 3436 2e38 342c 2d32 3839 2e38 3720  1146.84,-289.87 \n-0000bfe0: 3131 3136 2c2d 3335 372e 3232 2031 3039  1116,-357.22 109\n-0000bff0: 302e 3232 2c2d 3431 332e 3532 2031 3038  0.22,-413.52 108\n-0000c000: 342e 3631 2c2d 3432 382e 3035 2031 3035  4.61,-428.05 105\n-0000c010: 362c 2d34 3832 2e39 3620 3130 3332 2e36  6,-482.96 1032.6\n-0000c020: 372c 2d35 3237 2e37 3520 3130 3234 2e30  7,-527.75 1024.0\n-0000c030: 362c 2d35 3337 2e34 3320 3130 3030 2c2d  6,-537.43 1000,-\n-0000c040: 3538 312e 3833 2039 3930 2e32 322c 2d35  581.83 990.22,-5\n-0000c050: 3939 2e38 3820 3937 392e 3532 2c2d 3632  99.88 979.52,-62\n-0000c060: 302e 3631 2039 3731 2e38 312c 2d36 3335  0.61 971.81,-635\n-0000c070: 2e37 3522 2f3e 0a3c 706f 6c79 676f 6e20  .75\"/>.<polygon \n-0000c080: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n-0000c090: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-0000c0a0: 706f 696e 7473 3d22 3936 382e 3632 2c2d  points=\"968.62,-\n-0000c0b0: 3633 342e 3320 3936 372e 3231 2c2d 3634  634.3 967.21,-64\n-0000c0c0: 342e 3820 3937 342e 3836 2c2d 3633 372e  4.8 974.86,-637.\n-0000c0d0: 3437 2039 3638 2e36 322c 2d36 3334 2e33  47 968.62,-634.3\n-0000c0e0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-0000c0f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000c100: 5f65 7373 656e 7469 616c 6479 6e61 6d69  _essentialdynami\n-0000c110: 6373 2623 3435 3b26 6774 3b6d 6f64 756c  cs&#45;&gt;modul\n-0000c120: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n-0000c130: 6d6d 616e 646c 696e 6520 2d2d 3e0a 3c67  mmandline -->.<g\n-0000c140: 2069 643d 2265 6467 6536 3322 2063 6c61   id=\"edge63\" cla\n-0000c150: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-0000c160: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-0000c170: 6d61 6373 5f65 7373 656e 7469 616c 6479  macs_essentialdy\n-0000c180: 6e61 6d69 6373 2623 3435 3b26 6774 3b6d  namics&#45;&gt;m\n-0000c190: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000c1a0: 735f 636f 6d6d 616e 646c 696e 653c 2f74  s_commandline</t\n-0000c1b0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-0000c1c0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-0000c1d0: 626c 6163 6b22 2073 7472 6f6b 652d 6461  black\" stroke-da\n-0000c1e0: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n-0000c1f0: 224d 3134 3132 2e30 382c 2d31 3437 2e37  \"M1412.08,-147.7\n-0000c200: 3543 3135 3138 2e31 372c 2d31 3336 2e30  5C1518.17,-136.0\n-0000c210: 3120 3137 3432 2e30 342c 2d31 3131 2e32  1 1742.04,-111.2\n-0000c220: 3320 3138 3437 2e31 392c 2d39 392e 3539  3 1847.19,-99.59\n-0000c230: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-0000c240: 6c3d 2262 6c61 636b 2220 7374 726f 6b65  l=\"black\" stroke\n-0000c250: 3d22 626c 6163 6b22 2070 6f69 6e74 733d  =\"black\" points=\n-0000c260: 2231 3834 372e 3733 2c2d 3130 332e 3035  \"1847.73,-103.05\n-0000c270: 2031 3835 372e 3239 2c2d 3938 2e34 3720   1857.29,-98.47 \n-0000c280: 3138 3436 2e39 362c 2d39 362e 3120 3138  1846.96,-96.1 18\n-0000c290: 3437 2e37 332c 2d31 3033 2e30 3522 2f3e  47.73,-103.05\"/>\n-0000c2a0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-0000c2b0: 655f 7372 635f 6772 6f6d 6163 735f 6573  e_src_gromacs_es\n-0000c2c0: 7365 6e74 6961 6c64 796e 616d 6963 7326  sentialdynamics&\n-0000c2d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0000c2e0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n-0000c2f0: 7574 696c 6974 7920 2d2d 3e0a 3c67 2069  utility -->.<g i\n-0000c300: 643d 2265 6467 6536 3822 2063 6c61 7373  d=\"edge68\" class\n-0000c310: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-0000c320: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000c330: 6373 5f65 7373 656e 7469 616c 6479 6e61  cs_essentialdyna\n-0000c340: 6d69 6373 2623 3435 3b26 6774 3b6d 6f64  mics&#45;&gt;mod\n-0000c350: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000c360: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469  mdrunutility</ti\n-0000c370: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-0000c380: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-0000c390: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n-0000c3a0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-0000c3b0: 3d22 4d31 3336 342e 3637 2c2d 3136 382e  =\"M1364.67,-168.\n-0000c3c0: 3831 4331 3337 312e 3832 2c2d 3137 382e  81C1371.82,-178.\n-0000c3d0: 3038 2031 3338 302e 3639 2c2d 3139 312e  08 1380.69,-191.\n-0000c3e0: 3332 2031 3338 352c 2d32 3034 2e36 3120  32 1385,-204.61 \n-0000c3f0: 3133 3939 2e34 342c 2d32 3439 2e31 2031  1399.44,-249.1 1\n-0000c400: 3431 302e 3933 2c2d 3433 382e 3833 2031  410.93,-438.83 1\n-0000c410: 3339 362c 2d34 3832 2e39 3620 3133 3932  396,-482.96 1392\n-0000c420: 2e34 342c 2d34 3933 2e34 3920 3133 3835  .44,-493.49 1385\n-0000c430: 2e35 382c 2d35 3033 2e35 3220 3133 3738  .58,-503.52 1378\n-0000c440: 2e37 322c 2d35 3131 2e37 3122 2f3e 0a3c  .72,-511.71\"/>.<\n-0000c450: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n-0000c460: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n-0000c470: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n-0000c480: 3133 3736 2e30 352c 2d35 3039 2e34 3420  1376.05,-509.44 \n-0000c490: 3133 3731 2e39 382c 2d35 3139 2e32 3220  1371.98,-519.22 \n-0000c4a0: 3133 3831 2e32 362c 2d35 3134 2e31 3120  1381.26,-514.11 \n-0000c4b0: 3133 3736 2e30 352c 2d35 3039 2e34 3422  1376.05,-509.44\"\n-0000c4c0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-0000c4d0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000c4e0: 6573 7365 6e74 6961 6c64 796e 616d 6963  essentialdynamic\n-0000c4f0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-0000c500: 5f73 7263 5f67 726f 6d61 6373 5f66 696c  _src_gromacs_fil\n-0000c510: 6569 6f20 2d2d 3e0a 3c67 2069 643d 2265  eio -->.<g id=\"e\n-0000c520: 6467 6536 3522 2063 6c61 7373 3d22 6564  dge65\" class=\"ed\n-0000c530: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-0000c540: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n-0000c550: 7373 656e 7469 616c 6479 6e61 6d69 6373  ssentialdynamics\n-0000c560: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0000c570: 7372 635f 6772 6f6d 6163 735f 6669 6c65  src_gromacs_file\n-0000c580: 696f 3c2f 7469 746c 653e 0a3c 7061 7468  io</title>.<path\n-0000c590: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-0000c5a0: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n-0000c5b0: 224d 3134 3136 2e34 342c 2d31 3631 2e31  \"M1416.44,-161.1\n-0000c5c0: 3843 3134 3536 2e30 352c 2d31 3636 2e38  8C1456.05,-166.8\n-0000c5d0: 3420 3135 3036 2e38 342c 2d31 3738 2e39  4 1506.84,-178.9\n-0000c5e0: 3120 3135 3435 2c2d 3230 342e 3631 2031  1 1545,-204.61 1\n-0000c5f0: 3731 322e 3033 2c2d 3331 372e 3120 3137  712.03,-317.1 17\n-0000c600: 3635 2e31 312c 2d33 3832 2e38 3420 3137  65.11,-382.84 17\n-0000c610: 3936 2c2d 3538 312e 3833 2031 3739 372e  96,-581.83 1797.\n-0000c620: 3833 2c2d 3539 332e 3633 2031 3739 382e  83,-593.63 1798.\n-0000c630: 3838 2c2d 3539 372e 3131 2031 3739 362c  88,-597.11 1796,\n-0000c640: 2d36 3038 2e37 2031 3737 332e 312c 2d37  -608.7 1773.1,-7\n-0000c650: 3030 2e37 3820 3137 3433 2e37 332c 2d37  00.78 1743.73,-7\n-0000c660: 3135 2e33 3120 3136 3936 2c2d 3739 372e  15.31 1696,-797.\n-0000c670: 3331 2031 3638 372e 3637 2c2d 3831 312e  31 1687.67,-811.\n-0000c680: 3632 2031 3636 382e 3339 2c2d 3834 392e  62 1668.39,-849.\n-0000c690: 3139 2031 3635 362c 2d38 3630 2e31 3820  19 1656,-860.18 \n-0000c6a0: 3136 3336 2e30 332c 2d38 3737 2e38 3920  1636.03,-877.89 \n-0000c6b0: 3136 3038 2e34 342c 2d38 3930 2e35 3420  1608.44,-890.54 \n-0000c6c0: 3135 3837 2e31 342c 2d38 3938 2e34 3522  1587.14,-898.45\"\n-0000c6d0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-0000c6e0: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n-0000c6f0: 653d 2223 6266 6266 6266 2220 706f 696e  e=\"#bfbfbf\" poin\n-0000c700: 7473 3d22 3135 3835 2e38 2c2d 3839 352e  ts=\"1585.8,-895.\n-0000c710: 3232 2031 3537 372e 3535 2c2d 3930 312e  22 1577.55,-901.\n-0000c720: 3836 2031 3538 382e 3135 2c2d 3930 312e  86 1588.15,-901.\n-0000c730: 3831 2031 3538 352e 382c 2d38 3935 2e32  81 1585.8,-895.2\n-0000c740: 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  2\"/>.</g>.<!-- m\n-0000c750: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000c760: 735f 656e 6572 6779 616e 616c 7973 6973  s_energyanalysis\n-0000c770: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465   -->.<g id=\"node\n-0000c780: 3131 2220 636c 6173 733d 226e 6f64 6522  11\" class=\"node\"\n-0000c790: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-0000c7a0: 7372 635f 6772 6f6d 6163 735f 656e 6572  src_gromacs_ener\n-0000c7b0: 6779 616e 616c 7973 6973 3c2f 7469 746c  gyanalysis</titl\n-0000c7c0: 653e 0a3c 6720 6964 3d22 615f 6e6f 6465  e>.<g id=\"a_node\n-0000c7d0: 3131 223e 3c61 2078 6c69 6e6b 3a68 7265  11\"><a xlink:hre\n-0000c7e0: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65  f=\"group__module\n-0000c7f0: 5f5f 656e 6572 6779 616e 616c 7973 6973  __energyanalysis\n-0000c800: 2e78 6874 6d6c 2220 7461 7267 6574 3d22  .xhtml\" target=\"\n-0000c810: 5f74 6f70 2220 786c 696e 6b3a 7469 746c  _top\" xlink:titl\n-0000c820: 653d 2265 6e65 7267 7961 6e61 6c79 7369  e=\"energyanalysi\n-0000c830: 7322 3e0a 3c65 6c6c 6970 7365 2066 696c  s\">.<ellipse fil\n-0000c840: 6c3d 2223 6666 6363 6363 2220 7374 726f  l=\"#ffcccc\" stro\n-0000c850: 6b65 3d22 626c 6163 6b22 2063 783d 2231  ke=\"black\" cx=\"1\n-0000c860: 3637 3522 2063 793d 222d 3130 3335 2e33  675\" cy=\"-1035.3\n-0000c870: 3622 2072 783d 2235 362e 3634 2220 7279  6\" rx=\"56.64\" ry\n-0000c880: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874  =\"13.37\"/>.<text\n-0000c890: 2074 6578 742d 616e 6368 6f72 3d22 6d69   text-anchor=\"mi\n-0000c8a0: 6464 6c65 2220 783d 2231 3637 3522 2079  ddle\" x=\"1675\" y\n-0000c8b0: 3d22 2d31 3033 322e 3836 2220 666f 6e74  =\"-1032.86\" font\n-0000c8c0: 2d66 616d 696c 793d 2246 7265 6553 616e  -family=\"FreeSan\n-0000c8d0: 7322 2066 6f6e 742d 7369 7a65 3d22 3130  s\" font-size=\"10\n-0000c8e0: 2e30 3022 3e65 6e65 7267 7961 6e61 6c79  .00\">energyanaly\n-0000c8f0: 7369 733c 2f74 6578 743e 0a3c 2f61 3e0a  sis</text>.</a>.\n-0000c900: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d  </g>.</g>.<!-- m\n-0000c910: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000c920: 735f 676d 7861 6e61 202d 2d3e 0a3c 6720  s_gmxana -->.<g \n-0000c930: 6964 3d22 6e6f 6465 3133 2220 636c 6173  id=\"node13\" clas\n-0000c940: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65  s=\"node\">.<title\n-0000c950: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-0000c960: 6163 735f 676d 7861 6e61 3c2f 7469 746c  acs_gmxana</titl\n-0000c970: 653e 0a3c 656c 6c69 7073 6520 6669 6c6c  e>.<ellipse fill\n-0000c980: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n-0000c990: 653d 2262 6c61 636b 2220 6378 3d22 3138  e=\"black\" cx=\"18\n-0000c9a0: 3938 2220 6379 3d22 2d31 3033 352e 3336  98\" cy=\"-1035.36\n-0000c9b0: 2220 7278 3d22 3335 2e32 3122 2072 793d  \" rx=\"35.21\" ry=\n-0000c9c0: 2231 332e 3337 222f 3e0a 3c74 6578 7420  \"13.37\"/>.<text \n-0000c9d0: 7465 7874 2d61 6e63 686f 723d 226d 6964  text-anchor=\"mid\n-0000c9e0: 646c 6522 2078 3d22 3138 3938 2220 793d  dle\" x=\"1898\" y=\n-0000c9f0: 222d 3130 3332 2e38 3622 2066 6f6e 742d  \"-1032.86\" font-\n-0000ca00: 6661 6d69 6c79 3d22 4672 6565 5361 6e73  family=\"FreeSans\n-0000ca10: 2220 666f 6e74 2d73 697a 653d 2231 302e  \" font-size=\"10.\n-0000ca20: 3030 223e 676d 7861 6e61 3c2f 7465 7874  00\">gmxana</text\n-0000ca30: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-0000ca40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n-0000ca50: 6e65 7267 7961 6e61 6c79 7369 7326 2334  nergyanalysis&#4\n-0000ca60: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-0000ca70: 5f67 726f 6d61 6373 5f67 6d78 616e 6120  _gromacs_gmxana \n-0000ca80: 2d2d 3e0a 3c67 2069 643d 2265 6467 6537  -->.<g id=\"edge7\n-0000ca90: 3322 2063 6c61 7373 3d22 6564 6765 223e  3\" class=\"edge\">\n-0000caa0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-0000cab0: 7263 5f67 726f 6d61 6373 5f65 6e65 7267  rc_gromacs_energ\n-0000cac0: 7961 6e61 6c79 7369 7326 2334 353b 2667  yanalysis&#45;&g\n-0000cad0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0000cae0: 6d61 6373 5f67 6d78 616e 613c 2f74 6974  macs_gmxana</tit\n-0000caf0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-0000cb00: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n-0000cb10: 6363 6332 3822 2073 7472 6f6b 652d 6461  ccc28\" stroke-da\n-0000cb20: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n-0000cb30: 224d 3137 3331 2e36 322c 2d31 3033 352e  \"M1731.62,-1035.\n-0000cb40: 3336 4331 3737 312e 3836 2c2d 3130 3335  36C1771.86,-1035\n-0000cb50: 2e33 3620 3138 3132 2e31 312c 2d31 3033  .36 1812.11,-103\n-0000cb60: 352e 3336 2031 3835 322e 3335 2c2d 3130  5.36 1852.35,-10\n-0000cb70: 3335 2e33 3622 2f3e 0a3c 706f 6c79 676f  35.36\"/>.<polygo\n-0000cb80: 6e20 6669 6c6c 3d22 2332 6363 6332 3822  n fill=\"#2ccc28\"\n-0000cb90: 2073 7472 6f6b 653d 2223 3263 6363 3238   stroke=\"#2ccc28\n-0000cba0: 2220 706f 696e 7473 3d22 3138 3532 2e35  \" points=\"1852.5\n-0000cbb0: 382c 2d31 3033 382e 3836 2031 3836 322e  8,-1038.86 1862.\n-0000cbc0: 3538 2c2d 3130 3335 2e33 3620 3138 3532  58,-1035.36 1852\n-0000cbd0: 2e35 382c 2d31 3033 312e 3836 2031 3835  .58,-1031.86 185\n-0000cbe0: 322e 3538 2c2d 3130 3338 2e38 3622 2f3e  2.58,-1038.86\"/>\n-0000cbf0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-0000cc00: 655f 7372 635f 6772 6f6d 6163 735f 656e  e_src_gromacs_en\n-0000cc10: 6572 6779 616e 616c 7973 6973 2623 3435  ergyanalysis&#45\n-0000cc20: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0000cc30: 6772 6f6d 6163 735f 636f 6d6d 616e 646c  gromacs_commandl\n-0000cc40: 696e 6520 2d2d 3e0a 3c67 2069 643d 2265  ine -->.<g id=\"e\n-0000cc50: 6467 6537 3022 2063 6c61 7373 3d22 6564  dge70\" class=\"ed\n-0000cc60: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-0000cc70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n-0000cc80: 6e65 7267 7961 6e61 6c79 7369 7326 2334  nergyanalysis&#4\n-0000cc90: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-0000cca0: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64  _gromacs_command\n-0000ccb0: 6c69 6e65 3c2f 7469 746c 653e 0a3c 7061  line</title>.<pa\n-0000ccc0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-0000ccd0: 7472 6f6b 653d 2262 6c61 636b 2220 7374  troke=\"black\" st\n-0000cce0: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n-0000ccf0: 352c 3222 2064 3d22 4d31 3639 382e 342c  5,2\" d=\"M1698.4,\n-0000cd00: 2d31 3032 322e 3932 4331 3734 382e 3638  -1022.92C1748.68\n-0000cd10: 2c2d 3939 372e 3733 2031 3836 392e 3433  ,-997.73 1869.43\n-0000cd20: 2c2d 3933 332e 3820 3139 3536 2c2d 3836  ,-933.8 1956,-86\n-0000cd30: 302e 3138 2032 3034 362e 3234 2c2d 3738  0.18 2046.24,-78\n-0000cd40: 332e 3434 2032 3133 312c 2d37 3737 2e36  3.44 2131,-777.6\n-0000cd50: 2032 3133 312c 2d36 3539 2e31 3420 3231   2131,-659.14 21\n-0000cd60: 3331 2c2d 3635 392e 3134 2032 3133 312c  31,-659.14 2131,\n-0000cd70: 2d36 3539 2e31 3420 3231 3331 2c2d 3231  -659.14 2131,-21\n-0000cd80: 372e 3035 2032 3133 312c 2d31 3832 2e39  7.05 2131,-182.9\n-0000cd90: 3220 3231 3339 2e37 392c 2d31 3636 2e32  2 2139.79,-166.2\n-0000cda0: 3120 3231 3136 2c2d 3134 312e 3734 2032  1 2116,-141.74 2\n-0000cdb0: 3039 342e 3838 2c2d 3132 302e 3032 2032  094.88,-120.02 2\n-0000cdc0: 3031 362e 392c 2d31 3036 2e34 3920 3139  016.9,-106.49 19\n-0000cdd0: 3631 2e36 372c 2d39 392e 3433 222f 3e0a  61.67,-99.43\"/>.\n-0000cde0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262  <polygon fill=\"b\n-0000cdf0: 6c61 636b 2220 7374 726f 6b65 3d22 626c  lack\" stroke=\"bl\n-0000ce00: 6163 6b22 2070 6f69 6e74 733d 2231 3936  ack\" points=\"196\n-0000ce10: 312e 3939 2c2d 3935 2e39 3420 3139 3531  1.99,-95.94 1951\n-0000ce20: 2e36 342c 2d39 382e 3138 2031 3936 312e  .64,-98.18 1961.\n-0000ce30: 3133 2c2d 3130 322e 3839 2031 3936 312e  13,-102.89 1961.\n-0000ce40: 3939 2c2d 3935 2e39 3422 2f3e 0a3c 2f67  99,-95.94\"/>.</g\n-0000ce50: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-0000ce60: 635f 6772 6f6d 6163 735f 656e 6572 6779  c_gromacs_energy\n-0000ce70: 616e 616c 7973 6973 2623 3435 3b26 6774  analysis&#45;&gt\n-0000ce80: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0000ce90: 6163 735f 6669 6c65 696f 202d 2d3e 0a3c  acs_fileio -->.<\n-0000cea0: 6720 6964 3d22 6564 6765 3731 2220 636c  g id=\"edge71\" cl\n-0000ceb0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-0000cec0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-0000ced0: 6f6d 6163 735f 656e 6572 6779 616e 616c  omacs_energyanal\n-0000cee0: 7973 6973 2623 3435 3b26 6774 3b6d 6f64  ysis&#45;&gt;mod\n-0000cef0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000cf00: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c  fileio</title>.<\n-0000cf10: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-0000cf20: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n-0000cf30: 2220 643d 224d 3136 3631 2e30 312c 2d31  \" d=\"M1661.01,-1\n-0000cf40: 3032 312e 3932 4331 3635 302e 3336 2c2d  021.92C1650.36,-\n-0000cf50: 3130 3132 2e33 3220 3136 3335 2e34 362c  1012.32 1635.46,\n-0000cf60: 2d39 3938 2e35 3820 3136 3233 2c2d 3938  -998.58 1623,-98\n-0000cf70: 352e 3932 2031 3630 342e 3936 2c2d 3936  5.92 1604.96,-96\n-0000cf80: 372e 3620 3135 3835 2e33 382c 2d39 3435  7.6 1585.38,-945\n-0000cf90: 2e36 3920 3135 3731 2e38 392c 2d39 3330  .69 1571.89,-930\n-0000cfa0: 2e32 3422 2f3e 0a3c 706f 6c79 676f 6e20  .24\"/>.<polygon \n-0000cfb0: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n-0000cfc0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-0000cfd0: 706f 696e 7473 3d22 3135 3734 2e32 372c  points=\"1574.27,\n-0000cfe0: 2d39 3237 2e36 3420 3135 3635 2e30 372c  -927.64 1565.07,\n-0000cff0: 2d39 3232 2e33 3820 3135 3638 2e39 382c  -922.38 1568.98,\n-0000d000: 2d39 3332 2e32 3320 3135 3734 2e32 372c  -932.23 1574.27,\n-0000d010: 2d39 3237 2e36 3422 2f3e 0a3c 2f67 3e0a  -927.64\"/>.</g>.\n-0000d020: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-0000d030: 6772 6f6d 6163 735f 7374 6174 6973 7469  gromacs_statisti\n-0000d040: 6373 202d 2d3e 0a3c 6720 6964 3d22 6e6f  cs -->.<g id=\"no\n-0000d050: 6465 3437 2220 636c 6173 733d 226e 6f64  de47\" class=\"nod\n-0000d060: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-0000d070: 655f 7372 635f 6772 6f6d 6163 735f 7374  e_src_gromacs_st\n-0000d080: 6174 6973 7469 6373 3c2f 7469 746c 653e  atistics</title>\n-0000d090: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22  .<ellipse fill=\"\n-0000d0a0: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n-0000d0b0: 2262 6c61 636b 2220 6378 3d22 3136 3732  \"black\" cx=\"1672\n-0000d0c0: 2220 6379 3d22 2d39 3732 2e34 3922 2072  \" cy=\"-972.49\" r\n-0000d0d0: 783d 2233 392e 3722 2072 793d 2231 332e  x=\"39.7\" ry=\"13.\n-0000d0e0: 3337 222f 3e0a 3c74 6578 7420 7465 7874  37\"/>.<text text\n-0000d0f0: 2d61 6e63 686f 723d 226d 6964 646c 6522  -anchor=\"middle\"\n-0000d100: 2078 3d22 3136 3732 2220 793d 222d 3936   x=\"1672\" y=\"-96\n-0000d110: 392e 3939 2220 666f 6e74 2d66 616d 696c  9.99\" font-famil\n-0000d120: 793d 2246 7265 6553 616e 7322 2066 6f6e  y=\"FreeSans\" fon\n-0000d130: 742d 7369 7a65 3d22 3130 2e30 3022 3e73  t-size=\"10.00\">s\n-0000d140: 7461 7469 7374 6963 733c 2f74 6578 743e  tatistics</text>\n-0000d150: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-0000d160: 655f 7372 635f 6772 6f6d 6163 735f 656e  e_src_gromacs_en\n-0000d170: 6572 6779 616e 616c 7973 6973 2623 3435  ergyanalysis&#45\n-0000d180: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0000d190: 6772 6f6d 6163 735f 7374 6174 6973 7469  gromacs_statisti\n-0000d1a0: 6373 202d 2d3e 0a3c 6720 6964 3d22 6564  cs -->.<g id=\"ed\n-0000d1b0: 6765 3732 2220 636c 6173 733d 2265 6467  ge72\" class=\"edg\n-0000d1c0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-0000d1d0: 655f 7372 635f 6772 6f6d 6163 735f 656e  e_src_gromacs_en\n-0000d1e0: 6572 6779 616e 616c 7973 6973 2623 3435  ergyanalysis&#45\n-0000d1f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0000d200: 6772 6f6d 6163 735f 7374 6174 6973 7469  gromacs_statisti\n-0000d210: 6373 3c2f 7469 746c 653e 0a3c 7061 7468  cs</title>.<path\n-0000d220: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-0000d230: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n-0000d240: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n-0000d250: 352c 3222 2064 3d22 4d31 3637 342e 3338  5,2\" d=\"M1674.38\n-0000d260: 2c2d 3130 3231 2e37 3443 3136 3734 2e30  ,-1021.74C1674.0\n-0000d270: 322c 2d31 3031 342e 3420 3136 3733 2e35  2,-1014.4 1673.5\n-0000d280: 352c 2d31 3030 342e 3931 2031 3637 332e  5,-1004.91 1673.\n-0000d290: 3132 2c2d 3939 362e 3322 2f3e 0a3c 706f  12,-996.3\"/>.<po\n-0000d2a0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-0000d2b0: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-0000d2c0: 3266 6363 2220 706f 696e 7473 3d22 3136  2fcc\" points=\"16\n-0000d2d0: 3736 2e36 312c 2d39 3935 2e39 2031 3637  76.61,-995.9 167\n-0000d2e0: 322e 3632 2c2d 3938 362e 3038 2031 3636  2.62,-986.08 166\n-0000d2f0: 392e 3632 2c2d 3939 362e 3234 2031 3637  9.62,-996.24 167\n-0000d300: 362e 3631 2c2d 3939 352e 3922 2f3e 0a3c  6.61,-995.9\"/>.<\n-0000d310: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-0000d320: 7372 635f 6772 6f6d 6163 735f 6d61 7468  src_gromacs_math\n-0000d330: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465   -->.<g id=\"node\n-0000d340: 3132 2220 636c 6173 733d 226e 6f64 6522  12\" class=\"node\"\n-0000d350: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-0000d360: 7372 635f 6772 6f6d 6163 735f 6d61 7468  src_gromacs_math\n-0000d370: 3c2f 7469 746c 653e 0a3c 656c 6c69 7073  </title>.<ellips\n-0000d380: 6520 6669 6c6c 3d22 2362 6662 6662 6622  e fill=\"#bfbfbf\"\n-0000d390: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n-0000d3a0: 6378 3d22 3936 3522 2063 793d 222d 3135  cx=\"965\" cy=\"-15\n-0000d3b0: 352e 3138 2220 7278 3d22 3237 2220 7279  5.18\" rx=\"27\" ry\n-0000d3c0: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874  =\"13.37\"/>.<text\n-0000d3d0: 2074 6578 742d 616e 6368 6f72 3d22 6d69   text-anchor=\"mi\n-0000d3e0: 6464 6c65 2220 783d 2239 3635 2220 793d  ddle\" x=\"965\" y=\n-0000d3f0: 222d 3135 322e 3638 2220 666f 6e74 2d66  \"-152.68\" font-f\n-0000d400: 616d 696c 793d 2246 7265 6553 616e 7322  amily=\"FreeSans\"\n-0000d410: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30   font-size=\"10.0\n-0000d420: 3022 3e6d 6174 683c 2f74 6578 743e 0a3c  0\">math</text>.<\n-0000d430: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-0000d440: 7372 635f 6772 6f6d 6163 735f 6d61 7468  src_gromacs_math\n-0000d450: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0000d460: 7372 635f 6772 6f6d 6163 735f 6d64 7370  src_gromacs_mdsp\n-0000d470: 616e 202d 2d3e 0a3c 6720 6964 3d22 6564  an -->.<g id=\"ed\n-0000d480: 6765 3734 2220 636c 6173 733d 2265 6467  ge74\" class=\"edg\n-0000d490: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-0000d4a0: 655f 7372 635f 6772 6f6d 6163 735f 6d61  e_src_gromacs_ma\n-0000d4b0: 7468 2623 3435 3b26 6774 3b6d 6f64 756c  th&#45;&gt;modul\n-0000d4c0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-0000d4d0: 7370 616e 3c2f 7469 746c 653e 0a3c 7061  span</title>.<pa\n-0000d4e0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-0000d4f0: 7472 6f6b 653d 2272 6564 2220 643d 224d  troke=\"red\" d=\"M\n-0000d500: 3938 362e 3531 2c2d 3134 362e 3831 4339  986.51,-146.81C9\n-0000d510: 3932 2e37 332c 2d31 3434 2e39 3120 3939  92.73,-144.91 99\n-0000d520: 392e 3538 2c2d 3134 332e 3033 2031 3030  9.58,-143.03 100\n-0000d530: 362c 2d31 3431 2e37 3420 3131 3537 2e36  6,-141.74 1157.6\n-0000d540: 342c 2d31 3131 2e31 3420 3133 3431 2e32  4,-111.14 1341.2\n-0000d550: 342c 2d39 392e 3236 2031 3432 352e 3135  4,-99.26 1425.15\n-0000d560: 2c2d 3935 2e31 3822 2f3e 0a3c 706f 6c79  ,-95.18\"/>.<poly\n-0000d570: 676f 6e20 6669 6c6c 3d22 7265 6422 2073  gon fill=\"red\" s\n-0000d580: 7472 6f6b 653d 2272 6564 2220 706f 696e  troke=\"red\" poin\n-0000d590: 7473 3d22 3134 3235 2e35 342c 2d39 382e  ts=\"1425.54,-98.\n-0000d5a0: 3637 2031 3433 352e 3336 2c2d 3934 2e37  67 1435.36,-94.7\n-0000d5b0: 2031 3432 352e 3231 2c2d 3931 2e36 3820   1425.21,-91.68 \n-0000d5c0: 3134 3235 2e35 342c 2d39 382e 3637 222f  1425.54,-98.67\"/\n+000001d0: 6528 3420 3133 3433 2e32 3729 223e 0a3c  e(4 1343.27)\">.<\n+000001e0: 7469 746c 653e 696e 636c 7564 6564 6570  title>includedep\n+000001f0: 733c 2f74 6974 6c65 3e0a 3c70 6f6c 7967  s</title>.<polyg\n+00000200: 6f6e 2066 696c 6c3d 2277 6869 7465 2220  on fill=\"white\" \n+00000210: 7374 726f 6b65 3d22 7472 616e 7370 6172  stroke=\"transpar\n+00000220: 656e 7422 2070 6f69 6e74 733d 222d 342c  ent\" points=\"-4,\n+00000230: 3420 2d34 2c2d 3133 3433 2e32 3720 3238  4 -4,-1343.27 28\n+00000240: 3135 2c2d 3133 3433 2e32 3720 3238 3135  15,-1343.27 2815\n+00000250: 2c34 202d 342c 3422 2f3e 0a3c 6720 6964  ,4 -4,4\"/>.<g id\n+00000260: 3d22 636c 7573 7431 2220 636c 6173 733d  =\"clust1\" class=\n+00000270: 2263 6c75 7374 6572 223e 0a3c 7469 746c  \"cluster\">.<titl\n+00000280: 653e 636c 7573 7465 725f 6c69 6267 726f  e>cluster_libgro\n+00000290: 6d61 6373 3c2f 7469 746c 653e 0a3c 706f  macs</title>.<po\n+000002a0: 6c79 676f 6e20 6669 6c6c 3d22 6e6f 6e65  lygon fill=\"none\n+000002b0: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n+000002c0: 2070 6f69 6e74 733d 2238 2c2d 3820 382c   points=\"8,-8 8,\n+000002d0: 2d31 3333 312e 3237 2032 3436 382c 2d31  -1331.27 2468,-1\n+000002e0: 3333 312e 3237 2032 3436 382c 2d38 2038  331.27 2468,-8 8\n+000002f0: 2c2d 3822 2f3e 0a3c 7465 7874 2074 6578  ,-8\"/>.<text tex\n+00000300: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n+00000310: 2220 783d 2231 3233 3822 2079 3d22 2d31  \" x=\"1238\" y=\"-1\n+00000320: 3331 362e 3037 2220 666f 6e74 2d66 616d  316.07\" font-fam\n+00000330: 696c 793d 2254 696d 6573 2c73 6572 6966  ily=\"Times,serif\n+00000340: 2220 666f 6e74 2d73 697a 653d 2231 342e  \" font-size=\"14.\n+00000350: 3030 223e 6c69 6267 726f 6d61 6373 3c2f  00\">libgromacs</\n+00000360: 7465 7874 3e0a 3c2f 673e 0a3c 212d 2d20  text>.</g>.<!-- \n+00000370: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00000380: 6373 5f67 6d78 6c69 6220 2d2d 3e0a 3c67  cs_gmxlib -->.<g\n+00000390: 2069 643d 226e 6f64 6531 2220 636c 6173   id=\"node1\" clas\n+000003a0: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65  s=\"node\">.<title\n+000003b0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+000003c0: 6163 735f 676d 786c 6962 3c2f 7469 746c  acs_gmxlib</titl\n+000003d0: 653e 0a3c 656c 6c69 7073 6520 6669 6c6c  e>.<ellipse fill\n+000003e0: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n+000003f0: 653d 2262 6c61 636b 2220 6378 3d22 3130  e=\"black\" cx=\"10\n+00000400: 3233 2220 6379 3d22 2d31 3039 382e 3233  23\" cy=\"-1098.23\n+00000410: 2220 7278 3d22 3331 2e36 3422 2072 793d  \" rx=\"31.64\" ry=\n+00000420: 2231 332e 3337 222f 3e0a 3c74 6578 7420  \"13.37\"/>.<text \n+00000430: 7465 7874 2d61 6e63 686f 723d 226d 6964  text-anchor=\"mid\n+00000440: 646c 6522 2078 3d22 3130 3233 2220 793d  dle\" x=\"1023\" y=\n+00000450: 222d 3130 3935 2e37 3322 2066 6f6e 742d  \"-1095.73\" font-\n+00000460: 6661 6d69 6c79 3d22 4672 6565 5361 6e73  family=\"FreeSans\n+00000470: 2220 666f 6e74 2d73 697a 653d 2231 302e  \" font-size=\"10.\n+00000480: 3030 223e 676d 786c 6962 3c2f 7465 7874  00\">gmxlib</text\n+00000490: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+000004a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+000004b0: 6474 7970 6573 202d 2d3e 0a3c 6720 6964  dtypes -->.<g id\n+000004c0: 3d22 6e6f 6465 3922 2063 6c61 7373 3d22  =\"node9\" class=\"\n+000004d0: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f  node\">.<title>mo\n+000004e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000004f0: 5f6d 6474 7970 6573 3c2f 7469 746c 653e  _mdtypes</title>\n+00000500: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22  .<ellipse fill=\"\n+00000510: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n+00000520: 2262 6c61 636b 2220 6378 3d22 3134 3335  \"black\" cx=\"1435\n+00000530: 2220 6379 3d22 2d31 3033 352e 3336 2220  \" cy=\"-1035.36\" \n+00000540: 7278 3d22 3338 2e33 3722 2072 793d 2231  rx=\"38.37\" ry=\"1\n+00000550: 332e 3337 222f 3e0a 3c74 6578 7420 7465  3.37\"/>.<text te\n+00000560: 7874 2d61 6e63 686f 723d 226d 6964 646c  xt-anchor=\"middl\n+00000570: 6522 2078 3d22 3134 3335 2220 793d 222d  e\" x=\"1435\" y=\"-\n+00000580: 3130 3332 2e38 3622 2066 6f6e 742d 6661  1032.86\" font-fa\n+00000590: 6d69 6c79 3d22 4672 6565 5361 6e73 2220  mily=\"FreeSans\" \n+000005a0: 666f 6e74 2d73 697a 653d 2231 302e 3030  font-size=\"10.00\n+000005b0: 223e 6d64 7479 7065 733c 2f74 6578 743e  \">mdtypes</text>\n+000005c0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+000005d0: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+000005e0: 786c 6962 2623 3435 3b26 6774 3b6d 6f64  xlib&#45;&gt;mod\n+000005f0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00000600: 6d64 7479 7065 7320 2d2d 3e0a 3c67 2069  mdtypes -->.<g i\n+00000610: 643d 2265 6467 6532 2220 636c 6173 733d  d=\"edge2\" class=\n+00000620: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+00000630: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00000640: 735f 676d 786c 6962 2623 3435 3b26 6774  s_gmxlib&#45;&gt\n+00000650: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00000660: 6163 735f 6d64 7479 7065 733c 2f74 6974  acs_mdtypes</tit\n+00000670: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00000680: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n+00000690: 6662 6662 6622 2064 3d22 4d31 3035 322e  fbfbf\" d=\"M1052.\n+000006a0: 332c 2d31 3039 322e 3943 3131 3233 2e35  3,-1092.9C1123.5\n+000006b0: 312c 2d31 3038 322e 3338 2031 3330 362e  1,-1082.38 1306.\n+000006c0: 3031 2c2d 3130 3535 2e34 3120 3133 3930  01,-1055.41 1390\n+000006d0: 2e36 352c 2d31 3034 322e 3931 222f 3e0a  .65,-1042.91\"/>.\n+000006e0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+000006f0: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n+00000700: 2362 6662 6662 6622 2070 6f69 6e74 733d  #bfbfbf\" points=\n+00000710: 2231 3339 312e 3334 2c2d 3130 3436 2e33  \"1391.34,-1046.3\n+00000720: 3420 3134 3030 2e37 322c 2d31 3034 312e  4 1400.72,-1041.\n+00000730: 3432 2031 3339 302e 3331 2c2d 3130 3339  42 1390.31,-1039\n+00000740: 2e34 3220 3133 3931 2e33 342c 2d31 3034  .42 1391.34,-104\n+00000750: 362e 3334 222f 3e0a 3c2f 673e 0a3c 212d  6.34\"/>.</g>.<!-\n+00000760: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+00000770: 6d61 6373 5f65 7761 6c64 202d 2d3e 0a3c  macs_ewald -->.<\n+00000780: 6720 6964 3d22 6e6f 6465 3135 2220 636c  g id=\"node15\" cl\n+00000790: 6173 733d 226e 6f64 6522 3e0a 3c74 6974  ass=\"node\">.<tit\n+000007a0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+000007b0: 6f6d 6163 735f 6577 616c 643c 2f74 6974  omacs_ewald</tit\n+000007c0: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64  le>.<g id=\"a_nod\n+000007d0: 6531 3522 3e3c 6120 786c 696e 6b3a 6872  e15\"><a xlink:hr\n+000007e0: 6566 3d22 6772 6f75 705f 5f6d 6f64 756c  ef=\"group__modul\n+000007f0: 655f 5f65 7761 6c64 2e78 6874 6d6c 2220  e__ewald.xhtml\" \n+00000800: 7461 7267 6574 3d22 5f74 6f70 2220 786c  target=\"_top\" xl\n+00000810: 696e 6b3a 7469 746c 653d 2265 7761 6c64  ink:title=\"ewald\n+00000820: 223e 0a3c 656c 6c69 7073 6520 6669 6c6c  \">.<ellipse fill\n+00000830: 3d22 2365 3563 6366 6622 2073 7472 6f6b  =\"#e5ccff\" strok\n+00000840: 653d 2262 6c61 636b 2220 6378 3d22 3431  e=\"black\" cx=\"41\n+00000850: 3122 2063 793d 222d 3937 322e 3439 2220  1\" cy=\"-972.49\" \n+00000860: 7278 3d22 3238 2e39 3822 2072 793d 2231  rx=\"28.98\" ry=\"1\n+00000870: 332e 3337 222f 3e0a 3c74 6578 7420 7465  3.37\"/>.<text te\n+00000880: 7874 2d61 6e63 686f 723d 226d 6964 646c  xt-anchor=\"middl\n+00000890: 6522 2078 3d22 3431 3122 2079 3d22 2d39  e\" x=\"411\" y=\"-9\n+000008a0: 3639 2e39 3922 2066 6f6e 742d 6661 6d69  69.99\" font-fami\n+000008b0: 6c79 3d22 4672 6565 5361 6e73 2220 666f  ly=\"FreeSans\" fo\n+000008c0: 6e74 2d73 697a 653d 2231 302e 3030 223e  nt-size=\"10.00\">\n+000008d0: 6577 616c 643c 2f74 6578 743e 0a3c 2f61  ewald</text>.</a\n+000008e0: 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d  >.</g>.</g>.<!--\n+000008f0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00000900: 6163 735f 676d 786c 6962 2623 3435 3b26  acs_gmxlib&#45;&\n+00000910: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00000920: 6f6d 6163 735f 6577 616c 6420 2d2d 3e0a  omacs_ewald -->.\n+00000930: 3c67 2069 643d 2265 6467 6533 2220 636c  <g id=\"edge3\" cl\n+00000940: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00000950: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00000960: 6f6d 6163 735f 676d 786c 6962 2623 3435  omacs_gmxlib&#45\n+00000970: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00000980: 6772 6f6d 6163 735f 6577 616c 643c 2f74  gromacs_ewald</t\n+00000990: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+000009a0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+000009b0: 2332 6363 6332 3822 2073 7472 6f6b 652d  #2ccc28\" stroke-\n+000009c0: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+000009d0: 643d 224d 3939 322e 3035 2c2d 3130 3934  d=\"M992.05,-1094\n+000009e0: 2e37 3743 3932 392e 3932 2c2d 3130 3839  .77C929.92,-1089\n+000009f0: 2e30 3820 3738 362e 3739 2c2d 3130 3733  .08 786.79,-1073\n+00000a00: 2e35 3520 3636 392c 2d31 3034 382e 3739  .55 669,-1048.79\n+00000a10: 2035 3835 2e31 382c 2d31 3033 312e 3137   585.18,-1031.17\n+00000a20: 2034 3838 2e39 362c 2d31 3030 312e 3639   488.96,-1001.69\n+00000a30: 2034 3431 2e30 342c 2d39 3835 2e33 3322   441.04,-985.33\"\n+00000a40: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00000a50: 3d22 2332 6363 6332 3822 2073 7472 6f6b  =\"#2ccc28\" strok\n+00000a60: 653d 2223 3263 6363 3238 2220 706f 696e  e=\"#2ccc28\" poin\n+00000a70: 7473 3d22 3434 322e 3136 2c2d 3938 322e  ts=\"442.16,-982.\n+00000a80: 3031 2034 3331 2e35 372c 2d39 3832 2e30  01 431.57,-982.0\n+00000a90: 3520 3433 392e 3837 2c2d 3938 382e 3633  5 439.87,-988.63\n+00000aa0: 2034 3432 2e31 362c 2d39 3832 2e30 3122   442.16,-982.01\"\n+00000ab0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00000ac0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00000ad0: 7461 626c 6573 202d 2d3e 0a3c 6720 6964  tables -->.<g id\n+00000ae0: 3d22 6e6f 6465 3232 2220 636c 6173 733d  =\"node22\" class=\n+00000af0: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d  \"node\">.<title>m\n+00000b00: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00000b10: 735f 7461 626c 6573 3c2f 7469 746c 653e  s_tables</title>\n+00000b20: 0a3c 6720 6964 3d22 615f 6e6f 6465 3232  .<g id=\"a_node22\n+00000b30: 223e 3c61 2078 6c69 6e6b 3a68 7265 663d  \"><a xlink:href=\n+00000b40: 2267 726f 7570 5f5f 6d6f 6475 6c65 5f5f  \"group__module__\n+00000b50: 7461 626c 6573 2e78 6874 6d6c 2220 7461  tables.xhtml\" ta\n+00000b60: 7267 6574 3d22 5f74 6f70 2220 786c 696e  rget=\"_top\" xlin\n+00000b70: 6b3a 7469 746c 653d 2274 6162 6c65 7322  k:title=\"tables\"\n+00000b80: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d  >.<ellipse fill=\n+00000b90: 2223 6666 6534 6363 2220 7374 726f 6b65  \"#ffe4cc\" stroke\n+00000ba0: 3d22 626c 6163 6b22 2063 783d 2231 3431  =\"black\" cx=\"141\n+00000bb0: 3622 2063 793d 222d 3135 352e 3138 2220  6\" cy=\"-155.18\" \n+00000bc0: 7278 3d22 3330 2e33 3122 2072 793d 2231  rx=\"30.31\" ry=\"1\n+00000bd0: 332e 3337 222f 3e0a 3c74 6578 7420 7465  3.37\"/>.<text te\n+00000be0: 7874 2d61 6e63 686f 723d 226d 6964 646c  xt-anchor=\"middl\n+00000bf0: 6522 2078 3d22 3134 3136 2220 793d 222d  e\" x=\"1416\" y=\"-\n+00000c00: 3135 322e 3638 2220 666f 6e74 2d66 616d  152.68\" font-fam\n+00000c10: 696c 793d 2246 7265 6553 616e 7322 2066  ily=\"FreeSans\" f\n+00000c20: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022  ont-size=\"10.00\"\n+00000c30: 3e74 6162 6c65 733c 2f74 6578 743e 0a3c  >tables</text>.<\n+00000c40: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21  /a>.</g>.</g>.<!\n+00000c50: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00000c60: 6f6d 6163 735f 676d 786c 6962 2623 3435  omacs_gmxlib&#45\n+00000c70: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00000c80: 6772 6f6d 6163 735f 7461 626c 6573 202d  gromacs_tables -\n+00000c90: 2d3e 0a3c 6720 6964 3d22 6564 6765 3522  ->.<g id=\"edge5\"\n+00000ca0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00000cb0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00000cc0: 5f67 726f 6d61 6373 5f67 6d78 6c69 6226  _gromacs_gmxlib&\n+00000cd0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00000ce0: 7263 5f67 726f 6d61 6373 5f74 6162 6c65  rc_gromacs_table\n+00000cf0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820  s</title>.<path \n+00000d00: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00000d10: 6b65 3d22 2332 6363 6332 3822 2073 7472  ke=\"#2ccc28\" str\n+00000d20: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n+00000d30: 2c32 2220 643d 224d 3130 3232 2e35 372c  ,2\" d=\"M1022.57,\n+00000d40: 2d31 3038 342e 3733 4331 3032 312e 372c  -1084.73C1021.7,\n+00000d50: 2d31 3034 352e 3637 2031 3032 322e 3537  -1045.67 1022.57\n+00000d60: 2c2d 3932 332e 3131 2031 3036 332c 2d38  ,-923.11 1063,-8\n+00000d70: 3333 2e33 3120 3131 3931 2e31 312c 2d35  33.31 1191.11,-5\n+00000d80: 3438 2e37 3720 3134 3036 2e36 332c 2d35  48.77 1406.63,-5\n+00000d90: 3837 2e37 3220 3135 3133 2c2d 3239 342e  87.72 1513,-294.\n+00000da0: 3335 2031 3532 312e 3133 2c2d 3237 312e  35 1521.13,-271.\n+00000db0: 3934 2031 3530 342e 3538 2c2d 3230 382e  94 1504.58,-208.\n+00000dc0: 3236 2031 3530 322c 2d32 3034 2e36 3120  26 1502,-204.61 \n+00000dd0: 3134 3839 2e34 322c 2d31 3836 2e38 3220  1489.42,-186.82 \n+00000de0: 3134 3638 2e31 322c 2d31 3734 2e37 3520  1468.12,-174.75 \n+00000df0: 3134 3439 2e38 372c 2d31 3637 2e31 3122  1449.87,-167.11\"\n+00000e00: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00000e10: 3d22 2332 6363 6332 3822 2073 7472 6f6b  =\"#2ccc28\" strok\n+00000e20: 653d 2223 3263 6363 3238 2220 706f 696e  e=\"#2ccc28\" poin\n+00000e30: 7473 3d22 3134 3530 2e39 382c 2d31 3633  ts=\"1450.98,-163\n+00000e40: 2e37 3920 3134 3430 2e33 392c 2d31 3633  .79 1440.39,-163\n+00000e50: 2e34 3220 3134 3438 2e34 332c 2d31 3730  .42 1448.43,-170\n+00000e60: 2e33 3120 3134 3530 2e39 382c 2d31 3633  .31 1450.98,-163\n+00000e70: 2e37 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .79\"/>.</g>.<!--\n+00000e80: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00000e90: 6163 735f 6d64 6c69 6220 2d2d 3e0a 3c67  acs_mdlib -->.<g\n+00000ea0: 2069 643d 226e 6f64 6532 3322 2063 6c61   id=\"node23\" cla\n+00000eb0: 7373 3d22 6e6f 6465 223e 0a3c 7469 746c  ss=\"node\">.<titl\n+00000ec0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+00000ed0: 6d61 6373 5f6d 646c 6962 3c2f 7469 746c  macs_mdlib</titl\n+00000ee0: 653e 0a3c 656c 6c69 7073 6520 6669 6c6c  e>.<ellipse fill\n+00000ef0: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n+00000f00: 653d 2262 6c61 636b 2220 6378 3d22 3131  e=\"black\" cx=\"11\n+00000f10: 3231 2220 6379 3d22 2d32 3830 2e39 3222  21\" cy=\"-280.92\"\n+00000f20: 2072 783d 2232 382e 3037 2220 7279 3d22   rx=\"28.07\" ry=\"\n+00000f30: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074  13.37\"/>.<text t\n+00000f40: 6578 742d 616e 6368 6f72 3d22 6d69 6464  ext-anchor=\"midd\n+00000f50: 6c65 2220 783d 2231 3132 3122 2079 3d22  le\" x=\"1121\" y=\"\n+00000f60: 2d32 3738 2e34 3222 2066 6f6e 742d 6661  -278.42\" font-fa\n+00000f70: 6d69 6c79 3d22 4672 6565 5361 6e73 2220  mily=\"FreeSans\" \n+00000f80: 666f 6e74 2d73 697a 653d 2231 302e 3030  font-size=\"10.00\n+00000f90: 223e 6d64 6c69 623c 2f74 6578 743e 0a3c  \">mdlib</text>.<\n+00000fa0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00000fb0: 7372 635f 6772 6f6d 6163 735f 676d 786c  src_gromacs_gmxl\n+00000fc0: 6962 2623 3435 3b26 6774 3b6d 6f64 756c  ib&#45;&gt;modul\n+00000fd0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+00000fe0: 6c69 6220 2d2d 3e0a 3c67 2069 643d 2265  lib -->.<g id=\"e\n+00000ff0: 6467 6534 2220 636c 6173 733d 2265 6467  dge4\" class=\"edg\n+00001000: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00001010: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+00001020: 786c 6962 2623 3435 3b26 6774 3b6d 6f64  xlib&#45;&gt;mod\n+00001030: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00001040: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70  mdlib</title>.<p\n+00001050: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00001060: 7374 726f 6b65 3d22 2332 6363 6332 3822  stroke=\"#2ccc28\"\n+00001070: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n+00001080: 793d 2235 2c32 2220 643d 224d 3130 3336  y=\"5,2\" d=\"M1036\n+00001090: 2e31 382c 2d31 3038 352e 3736 4331 3034  .18,-1085.76C104\n+000010a0: 392e 3333 2c2d 3130 3736 2e39 3620 3130  9.33,-1076.96 10\n+000010b0: 3638 2e38 322c 2d31 3036 332e 3739 2031  68.82,-1063.79 1\n+000010c0: 3038 332c 2d31 3034 382e 3739 2031 3131  083,-1048.79 111\n+000010d0: 322e 3336 2c2d 3130 3137 2e37 3320 3132  2.36,-1017.73 12\n+000010e0: 3836 2c2d 3736 342e 3735 2031 3238 362c  86,-764.75 1286,\n+000010f0: 2d37 3232 2e30 3120 3132 3836 2c2d 3732  -722.01 1286,-72\n+00001100: 322e 3031 2031 3238 362c 2d37 3232 2e30  2.01 1286,-722.0\n+00001110: 3120 3132 3836 2c2d 3635 372e 3134 2031  1 1286,-657.14 1\n+00001120: 3238 362c 2d35 3038 2e34 3120 3133 3133  286,-508.41 1313\n+00001130: 2e39 322c 2d34 3430 2e35 2031 3231 342c  .92,-440.5 1214,\n+00001140: 2d33 3330 2e33 3520 3131 3937 2e35 352c  -330.35 1197.55,\n+00001150: 2d33 3132 2e32 3220 3131 3732 2e38 372c  -312.22 1172.87,\n+00001160: 2d33 3030 2e32 3520 3131 3532 2e39 362c  -300.25 1152.96,\n+00001170: 2d32 3932 2e37 3422 2f3e 0a3c 706f 6c79  -292.74\"/>.<poly\n+00001180: 676f 6e20 6669 6c6c 3d22 2332 6363 6332  gon fill=\"#2ccc2\n+00001190: 3822 2073 7472 6f6b 653d 2223 3263 6363  8\" stroke=\"#2ccc\n+000011a0: 3238 2220 706f 696e 7473 3d22 3131 3533  28\" points=\"1153\n+000011b0: 2e39 332c 2d32 3839 2e33 3820 3131 3433  .93,-289.38 1143\n+000011c0: 2e33 332c 2d32 3839 2e33 3220 3131 3531  .33,-289.32 1151\n+000011d0: 2e35 382c 2d32 3935 2e39 3720 3131 3533  .58,-295.97 1153\n+000011e0: 2e39 332c 2d32 3839 2e33 3822 2f3e 0a3c  .93,-289.38\"/>.<\n+000011f0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00001200: 7372 635f 6772 6f6d 6163 735f 636f 6d6d  src_gromacs_comm\n+00001210: 616e 646c 696e 6520 2d2d 3e0a 3c67 2069  andline -->.<g i\n+00001220: 643d 226e 6f64 6533 3022 2063 6c61 7373  d=\"node30\" class\n+00001230: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e  =\"node\">.<title>\n+00001240: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00001250: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f  cs_commandline</\n+00001260: 7469 746c 653e 0a3c 6720 6964 3d22 615f  title>.<g id=\"a_\n+00001270: 6e6f 6465 3330 223e 3c61 2078 6c69 6e6b  node30\"><a xlink\n+00001280: 3a68 7265 663d 2267 726f 7570 5f5f 6d6f  :href=\"group__mo\n+00001290: 6475 6c65 5f5f 636f 6d6d 616e 646c 696e  dule__commandlin\n+000012a0: 652e 7868 746d 6c22 2074 6172 6765 743d  e.xhtml\" target=\n+000012b0: 225f 746f 7022 2078 6c69 6e6b 3a74 6974  \"_top\" xlink:tit\n+000012c0: 6c65 3d22 636f 6d6d 616e 646c 696e 6522  le=\"commandline\"\n+000012d0: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d  >.<ellipse fill=\n+000012e0: 2223 6666 6534 6363 2220 7374 726f 6b65  \"#ffe4cc\" stroke\n+000012f0: 3d22 626c 6163 6b22 2063 783d 2239 3932  =\"black\" cx=\"992\n+00001300: 2220 6379 3d22 2d39 322e 3331 2220 7278  \" cy=\"-92.31\" rx\n+00001310: 3d22 3532 2e31 3522 2072 793d 2231 332e  =\"52.15\" ry=\"13.\n+00001320: 3337 222f 3e0a 3c74 6578 7420 7465 7874  37\"/>.<text text\n+00001330: 2d61 6e63 686f 723d 226d 6964 646c 6522  -anchor=\"middle\"\n+00001340: 2078 3d22 3939 3222 2079 3d22 2d38 392e   x=\"992\" y=\"-89.\n+00001350: 3831 2220 666f 6e74 2d66 616d 696c 793d  81\" font-family=\n+00001360: 2246 7265 6553 616e 7322 2066 6f6e 742d  \"FreeSans\" font-\n+00001370: 7369 7a65 3d22 3130 2e30 3022 3e63 6f6d  size=\"10.00\">com\n+00001380: 6d61 6e64 6c69 6e65 3c2f 7465 7874 3e0a  mandline</text>.\n+00001390: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c  </a>.</g>.</g>.<\n+000013a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+000013b0: 726f 6d61 6373 5f67 6d78 6c69 6226 2334  romacs_gmxlib&#4\n+000013c0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+000013d0: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64  _gromacs_command\n+000013e0: 6c69 6e65 202d 2d3e 0a3c 6720 6964 3d22  line -->.<g id=\"\n+000013f0: 6564 6765 3122 2063 6c61 7373 3d22 6564  edge1\" class=\"ed\n+00001400: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+00001410: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+00001420: 6d78 6c69 6226 2334 353b 2667 743b 6d6f  mxlib&#45;&gt;mo\n+00001430: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00001440: 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f 7469  _commandline</ti\n+00001450: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+00001460: 226e 6f6e 6522 2073 7472 6f6b 653d 2262  \"none\" stroke=\"b\n+00001470: 6c61 636b 2220 7374 726f 6b65 2d64 6173  lack\" stroke-das\n+00001480: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n+00001490: 4d39 3931 2e34 332c 2d31 3039 362e 3032  M991.43,-1096.02\n+000014a0: 4339 3137 2e33 2c2d 3130 3932 2e37 3220  C917.3,-1092.72 \n+000014b0: 3732 362e 3633 2c2d 3130 3831 2e34 3920  726.63,-1081.49 \n+000014c0: 3537 312c 2d31 3034 382e 3739 2034 3830  571,-1048.79 480\n+000014d0: 2e36 342c 2d31 3032 392e 3831 2034 3538  .64,-1029.81 458\n+000014e0: 2e36 322c 2d31 3032 302e 3437 2033 3733  .62,-1020.47 373\n+000014f0: 2c2d 3938 352e 3932 2033 3134 2e35 392c  ,-985.92 314.59,\n+00001500: 2d39 3632 2e33 3520 3239 302e 3231 2c2d  -962.35 290.21,-\n+00001510: 3936 372e 3931 2032 3436 2c2d 3932 332e  967.91 246,-923.\n+00001520: 3035 2031 3639 2e34 312c 2d38 3435 2e33  05 169.41,-845.3\n+00001530: 3420 3131 372c 2d37 3639 2e33 3820 3131  4 117,-769.38 11\n+00001540: 372c 2d35 3333 2e34 2031 3137 2c2d 3533  7,-533.4 117,-53\n+00001550: 332e 3420 3131 372c 2d35 3333 2e34 2031  3.4 117,-533.4 1\n+00001560: 3137 2c2d 3231 372e 3035 2031 3137 2c2d  17,-217.05 117,-\n+00001570: 3230 362e 3635 2037 3434 2e33 332c 2d31  206.65 744.33,-1\n+00001580: 3235 2e31 3420 3933 362e 3633 2c2d 3130  25.14 936.63,-10\n+00001590: 302e 3422 2f3e 0a3c 706f 6c79 676f 6e20  0.4\"/>.<polygon \n+000015a0: 6669 6c6c 3d22 626c 6163 6b22 2073 7472  fill=\"black\" str\n+000015b0: 6f6b 653d 2262 6c61 636b 2220 706f 696e  oke=\"black\" poin\n+000015c0: 7473 3d22 3933 372e 3333 2c2d 3130 332e  ts=\"937.33,-103.\n+000015d0: 3834 2039 3436 2e38 2c2d 3939 2e31 2039  84 946.8,-99.1 9\n+000015e0: 3336 2e34 332c 2d39 362e 3920 3933 372e  36.43,-96.9 937.\n+000015f0: 3333 2c2d 3130 332e 3834 222f 3e0a 3c2f  33,-103.84\"/>.</\n+00001600: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00001610: 7263 5f67 726f 6d61 6373 5f63 6f72 7265  rc_gromacs_corre\n+00001620: 6c61 7469 6f6e 6675 6e63 7469 6f6e 7320  lationfunctions \n+00001630: 2d2d 3e0a 3c67 2069 643d 226e 6f64 6532  -->.<g id=\"node2\n+00001640: 2220 636c 6173 733d 226e 6f64 6522 3e0a  \" class=\"node\">.\n+00001650: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+00001660: 635f 6772 6f6d 6163 735f 636f 7272 656c  c_gromacs_correl\n+00001670: 6174 696f 6e66 756e 6374 696f 6e73 3c2f  ationfunctions</\n+00001680: 7469 746c 653e 0a3c 6720 6964 3d22 615f  title>.<g id=\"a_\n+00001690: 6e6f 6465 3222 3e3c 6120 786c 696e 6b3a  node2\"><a xlink:\n+000016a0: 6872 6566 3d22 6772 6f75 705f 5f6d 6f64  href=\"group__mod\n+000016b0: 756c 655f 5f63 6f72 7265 6c61 7469 6f6e  ule__correlation\n+000016c0: 6675 6e63 7469 6f6e 732e 7868 746d 6c22  functions.xhtml\"\n+000016d0: 2074 6172 6765 743d 225f 746f 7022 2078   target=\"_top\" x\n+000016e0: 6c69 6e6b 3a74 6974 6c65 3d22 636f 7272  link:title=\"corr\n+000016f0: 656c 6174 696f 6e66 756e 6374 696f 6e73  elationfunctions\n+00001700: 223e 0a3c 656c 6c69 7073 6520 6669 6c6c  \">.<ellipse fill\n+00001710: 3d22 2366 6663 6363 6322 2073 7472 6f6b  =\"#ffcccc\" strok\n+00001720: 653d 2262 6c61 636b 2220 6378 3d22 3138  e=\"black\" cx=\"18\n+00001730: 3737 2220 6379 3d22 2d39 3732 2e34 3922  77\" cy=\"-972.49\"\n+00001740: 2072 783d 2237 312e 3334 2220 7279 3d22   rx=\"71.34\" ry=\"\n+00001750: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074  13.37\"/>.<text t\n+00001760: 6578 742d 616e 6368 6f72 3d22 6d69 6464  ext-anchor=\"midd\n+00001770: 6c65 2220 783d 2231 3837 3722 2079 3d22  le\" x=\"1877\" y=\"\n+00001780: 2d39 3639 2e39 3922 2066 6f6e 742d 6661  -969.99\" font-fa\n+00001790: 6d69 6c79 3d22 4672 6565 5361 6e73 2220  mily=\"FreeSans\" \n+000017a0: 666f 6e74 2d73 697a 653d 2231 302e 3030  font-size=\"10.00\n+000017b0: 223e 636f 7272 656c 6174 696f 6e66 756e  \">correlationfun\n+000017c0: 6374 696f 6e73 3c2f 7465 7874 3e0a 3c2f  ctions</text>.</\n+000017d0: 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d  a>.</g>.</g>.<!-\n+000017e0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+000017f0: 6d61 6373 5f66 696c 6569 6f20 2d2d 3e0a  macs_fileio -->.\n+00001800: 3c67 2069 643d 226e 6f64 6531 3322 2063  <g id=\"node13\" c\n+00001810: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469  lass=\"node\">.<ti\n+00001820: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00001830: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74  romacs_fileio</t\n+00001840: 6974 6c65 3e0a 3c65 6c6c 6970 7365 2066  itle>.<ellipse f\n+00001850: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n+00001860: 726f 6b65 3d22 626c 6163 6b22 2063 783d  roke=\"black\" cx=\n+00001870: 2231 3631 3522 2063 793d 222d 3436 392e  \"1615\" cy=\"-469.\n+00001880: 3533 2220 7278 3d22 3237 2220 7279 3d22  53\" rx=\"27\" ry=\"\n+00001890: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074  13.37\"/>.<text t\n+000018a0: 6578 742d 616e 6368 6f72 3d22 6d69 6464  ext-anchor=\"midd\n+000018b0: 6c65 2220 783d 2231 3631 3522 2079 3d22  le\" x=\"1615\" y=\"\n+000018c0: 2d34 3637 2e30 3322 2066 6f6e 742d 6661  -467.03\" font-fa\n+000018d0: 6d69 6c79 3d22 4672 6565 5361 6e73 2220  mily=\"FreeSans\" \n+000018e0: 666f 6e74 2d73 697a 653d 2231 302e 3030  font-size=\"10.00\n+000018f0: 223e 6669 6c65 696f 3c2f 7465 7874 3e0a  \">fileio</text>.\n+00001900: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+00001910: 5f73 7263 5f67 726f 6d61 6373 5f63 6f72  _src_gromacs_cor\n+00001920: 7265 6c61 7469 6f6e 6675 6e63 7469 6f6e  relationfunction\n+00001930: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+00001940: 5f73 7263 5f67 726f 6d61 6373 5f66 696c  _src_gromacs_fil\n+00001950: 6569 6f20 2d2d 3e0a 3c67 2069 643d 2265  eio -->.<g id=\"e\n+00001960: 6467 6537 2220 636c 6173 733d 2265 6467  dge7\" class=\"edg\n+00001970: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00001980: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n+00001990: 7272 656c 6174 696f 6e66 756e 6374 696f  rrelationfunctio\n+000019a0: 6e73 2623 3435 3b26 6774 3b6d 6f64 756c  ns&#45;&gt;modul\n+000019b0: 655f 7372 635f 6772 6f6d 6163 735f 6669  e_src_gromacs_fi\n+000019c0: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061  leio</title>.<pa\n+000019d0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+000019e0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+000019f0: 643d 224d 3138 3733 2e32 322c 2d39 3538  d=\"M1873.22,-958\n+00001a00: 2e38 3143 3138 3539 2e37 322c 2d39 3130  .81C1859.72,-910\n+00001a10: 2e37 3320 3138 3139 2e30 342c 2d37 3337  .73 1819.04,-737\n+00001a20: 2e36 3820 3139 3032 2c2d 3634 342e 3720  .68 1902,-644.7 \n+00001a30: 3139 3538 2e33 352c 2d35 3831 2e35 3520  1958.35,-581.55 \n+00001a40: 3230 3335 2e31 312c 2d36 3733 2e39 3620  2035.11,-673.96 \n+00001a50: 3230 3839 2c2d 3630 382e 3720 3231 3134  2089,-608.7 2114\n+00001a60: 2e34 2c2d 3537 372e 3935 2032 3131 352e  .4,-577.95 2115.\n+00001a70: 3733 2c2d 3534 382e 3536 2032 3038 392c  73,-548.56 2089,\n+00001a80: 2d35 3138 2e39 3620 3230 3539 2e38 362c  -518.96 2059.86,\n+00001a90: 2d34 3836 2e36 3920 3137 3538 2e37 382c  -486.69 1758.78,\n+00001aa0: 2d34 3734 2e37 3520 3136 3532 2e31 372c  -474.75 1652.17,\n+00001ab0: 2d34 3731 2e35 3222 2f3e 0a3c 706f 6c79  -471.52\"/>.<poly\n+00001ac0: 676f 6e20 6669 6c6c 3d22 2362 6662 6662  gon fill=\"#bfbfb\n+00001ad0: 6622 2073 7472 6f6b 653d 2223 6266 6266  f\" stroke=\"#bfbf\n+00001ae0: 6266 2220 706f 696e 7473 3d22 3136 3531  bf\" points=\"1651\n+00001af0: 2e39 392c 2d34 3638 2e30 3120 3136 3431  .99,-468.01 1641\n+00001b00: 2e38 392c 2d34 3731 2e32 3220 3136 3531  .89,-471.22 1651\n+00001b10: 2e37 382c 2d34 3735 2e30 3120 3136 3531  .78,-475.01 1651\n+00001b20: 2e39 392c 2d34 3638 2e30 3122 2f3e 0a3c  .99,-468.01\"/>.<\n+00001b30: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00001b40: 7372 635f 6772 6f6d 6163 735f 636f 7272  src_gromacs_corr\n+00001b50: 656c 6174 696f 6e66 756e 6374 696f 6e73  elationfunctions\n+00001b60: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00001b70: 7372 635f 6772 6f6d 6163 735f 636f 6d6d  src_gromacs_comm\n+00001b80: 616e 646c 696e 6520 2d2d 3e0a 3c67 2069  andline -->.<g i\n+00001b90: 643d 2265 6467 6538 2220 636c 6173 733d  d=\"edge8\" class=\n+00001ba0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+00001bb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00001bc0: 735f 636f 7272 656c 6174 696f 6e66 756e  s_correlationfun\n+00001bd0: 6374 696f 6e73 2623 3435 3b26 6774 3b6d  ctions&#45;&gt;m\n+00001be0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00001bf0: 735f 636f 6d6d 616e 646c 696e 653c 2f74  s_commandline</t\n+00001c00: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00001c10: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00001c20: 2332 3832 6663 6322 2064 3d22 4d31 3837  #282fcc\" d=\"M187\n+00001c30: 362e 3437 2c2d 3935 382e 3837 4331 3837  6.47,-958.87C187\n+00001c40: 352e 372c 2d39 3234 2e36 3820 3138 3738  5.7,-924.68 1878\n+00001c50: 2e30 332c 2d38 3238 2e39 3120 3139 3234  .03,-828.91 1924\n+00001c60: 2c2d 3737 302e 3434 2032 3037 382e 332c  ,-770.44 2078.3,\n+00001c70: 2d35 3734 2e31 3620 3233 3939 2c2d 3732  -574.16 2399,-72\n+00001c80: 302e 3220 3233 3939 2c2d 3437 302e 3533  0.2 2399,-470.53\n+00001c90: 2032 3339 392c 2d34 3730 2e35 3320 3233   2399,-470.53 23\n+00001ca0: 3939 2c2d 3437 302e 3533 2032 3339 392c  99,-470.53 2399,\n+00001cb0: 2d33 3432 2e37 3920 3233 3939 2c2d 3234  -342.79 2399,-24\n+00001cc0: 332e 3936 2032 3338 362e 3439 2c2d 3139  3.96 2386.49,-19\n+00001cd0: 362e 3136 2032 3330 342c 2d31 3431 2e37  6.16 2304,-141.7\n+00001ce0: 3420 3232 3930 2e37 392c 2d31 3333 2e30  4 2290.79,-133.0\n+00001cf0: 3320 3133 3132 2e33 352c 2d31 3032 2e39  3 1312.35,-102.9\n+00001d00: 3620 3130 3533 2e39 392c 2d39 352e 3136  6 1053.99,-95.16\n+00001d10: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+00001d20: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n+00001d30: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n+00001d40: 6e74 733d 2231 3035 332e 3736 2c2d 3931  nts=\"1053.76,-91\n+00001d50: 2e36 3520 3130 3433 2e36 362c 2d39 342e  .65 1043.66,-94.\n+00001d60: 3835 2031 3035 332e 3535 2c2d 3938 2e36  85 1053.55,-98.6\n+00001d70: 3520 3130 3533 2e37 362c 2d39 312e 3635  5 1053.76,-91.65\n+00001d80: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+00001d90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00001da0: 5f66 6674 202d 2d3e 0a3c 6720 6964 3d22  _fft -->.<g id=\"\n+00001db0: 6e6f 6465 3434 2220 636c 6173 733d 226e  node44\" class=\"n\n+00001dc0: 6f64 6522 3e0a 3c74 6974 6c65 3e6d 6f64  ode\">.<title>mod\n+00001dd0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00001de0: 6666 743c 2f74 6974 6c65 3e0a 3c65 6c6c  fft</title>.<ell\n+00001df0: 6970 7365 2066 696c 6c3d 2223 6266 6266  ipse fill=\"#bfbf\n+00001e00: 6266 2220 7374 726f 6b65 3d22 626c 6163  bf\" stroke=\"blac\n+00001e10: 6b22 2063 783d 2236 3337 2220 6379 3d22  k\" cx=\"637\" cy=\"\n+00001e20: 2d39 3039 2e36 3222 2072 783d 2232 3722  -909.62\" rx=\"27\"\n+00001e30: 2072 793d 2231 332e 3337 222f 3e0a 3c74   ry=\"13.37\"/>.<t\n+00001e40: 6578 7420 7465 7874 2d61 6e63 686f 723d  ext text-anchor=\n+00001e50: 226d 6964 646c 6522 2078 3d22 3633 3722  \"middle\" x=\"637\"\n+00001e60: 2079 3d22 2d39 3037 2e31 3222 2066 6f6e   y=\"-907.12\" fon\n+00001e70: 742d 6661 6d69 6c79 3d22 4672 6565 5361  t-family=\"FreeSa\n+00001e80: 6e73 2220 666f 6e74 2d73 697a 653d 2231  ns\" font-size=\"1\n+00001e90: 302e 3030 223e 6666 743c 2f74 6578 743e  0.00\">fft</text>\n+00001ea0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+00001eb0: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n+00001ec0: 7272 656c 6174 696f 6e66 756e 6374 696f  rrelationfunctio\n+00001ed0: 6e73 2623 3435 3b26 6774 3b6d 6f64 756c  ns&#45;&gt;modul\n+00001ee0: 655f 7372 635f 6772 6f6d 6163 735f 6666  e_src_gromacs_ff\n+00001ef0: 7420 2d2d 3e0a 3c67 2069 643d 2265 6467  t -->.<g id=\"edg\n+00001f00: 6536 2220 636c 6173 733d 2265 6467 6522  e6\" class=\"edge\"\n+00001f10: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00001f20: 7372 635f 6772 6f6d 6163 735f 636f 7272  src_gromacs_corr\n+00001f30: 656c 6174 696f 6e66 756e 6374 696f 6e73  elationfunctions\n+00001f40: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00001f50: 7372 635f 6772 6f6d 6163 735f 6666 743c  src_gromacs_fft<\n+00001f60: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00001f70: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00001f80: 3d22 2332 3832 6663 6322 2064 3d22 4d31  =\"#282fcc\" d=\"M1\n+00001f90: 3830 392e 3031 2c2d 3936 382e 3135 4331  809.01,-968.15C1\n+00001fa0: 3538 302e 3737 2c2d 3935 362e 3934 2038  580.77,-956.94 8\n+00001fb0: 3436 2e36 312c 2d39 3230 2e39 3120 3637  46.61,-920.91 67\n+00001fc0: 332e 3731 2c2d 3931 322e 3432 222f 3e0a  3.71,-912.42\"/>.\n+00001fd0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+00001fe0: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n+00001ff0: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n+00002000: 2236 3733 2e37 362c 2d39 3038 2e39 3220  \"673.76,-908.92 \n+00002010: 3636 332e 362c 2d39 3131 2e39 3220 3637  663.6,-911.92 67\n+00002020: 332e 3432 2c2d 3931 352e 3931 2036 3733  3.42,-915.91 673\n+00002030: 2e37 362c 2d39 3038 2e39 3222 2f3e 0a3c  .76,-908.92\"/>.<\n+00002040: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00002050: 7372 635f 6772 6f6d 6163 735f 6d61 7468  src_gromacs_math\n+00002060: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465   -->.<g id=\"node\n+00002070: 3322 2063 6c61 7373 3d22 6e6f 6465 223e  3\" class=\"node\">\n+00002080: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00002090: 7263 5f67 726f 6d61 6373 5f6d 6174 683c  rc_gromacs_math<\n+000020a0: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365  /title>.<ellipse\n+000020b0: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+000020c0: 7374 726f 6b65 3d22 626c 6163 6b22 2063  stroke=\"black\" c\n+000020d0: 783d 2239 3530 2220 6379 3d22 2d31 3535  x=\"950\" cy=\"-155\n+000020e0: 2e31 3822 2072 783d 2232 3722 2072 793d  .18\" rx=\"27\" ry=\n+000020f0: 2231 332e 3337 222f 3e0a 3c74 6578 7420  \"13.37\"/>.<text \n+00002100: 7465 7874 2d61 6e63 686f 723d 226d 6964  text-anchor=\"mid\n+00002110: 646c 6522 2078 3d22 3935 3022 2079 3d22  dle\" x=\"950\" y=\"\n+00002120: 2d31 3532 2e36 3822 2066 6f6e 742d 6661  -152.68\" font-fa\n+00002130: 6d69 6c79 3d22 4672 6565 5361 6e73 2220  mily=\"FreeSans\" \n+00002140: 666f 6e74 2d73 697a 653d 2231 302e 3030  font-size=\"10.00\n+00002150: 223e 6d61 7468 3c2f 7465 7874 3e0a 3c2f  \">math</text>.</\n+00002160: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00002170: 7263 5f67 726f 6d61 6373 5f6d 6473 7061  rc_gromacs_mdspa\n+00002180: 6e20 2d2d 3e0a 3c67 2069 643d 226e 6f64  n -->.<g id=\"nod\n+00002190: 6533 3422 2063 6c61 7373 3d22 6e6f 6465  e34\" class=\"node\n+000021a0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+000021b0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6473  _src_gromacs_mds\n+000021c0: 7061 6e3c 2f74 6974 6c65 3e0a 3c65 6c6c  pan</title>.<ell\n+000021d0: 6970 7365 2066 696c 6c3d 2223 6266 6266  ipse fill=\"#bfbf\n+000021e0: 6266 2220 7374 726f 6b65 3d22 626c 6163  bf\" stroke=\"blac\n+000021f0: 6b22 2063 783d 2231 3438 3122 2063 793d  k\" cx=\"1481\" cy=\n+00002200: 222d 3932 2e33 3122 2072 783d 2233 362e  \"-92.31\" rx=\"36.\n+00002210: 3132 2220 7279 3d22 3133 2e33 3722 2f3e  12\" ry=\"13.37\"/>\n+00002220: 0a3c 7465 7874 2074 6578 742d 616e 6368  .<text text-anch\n+00002230: 6f72 3d22 6d69 6464 6c65 2220 783d 2231  or=\"middle\" x=\"1\n+00002240: 3438 3122 2079 3d22 2d38 392e 3831 2220  481\" y=\"-89.81\" \n+00002250: 666f 6e74 2d66 616d 696c 793d 2246 7265  font-family=\"Fre\n+00002260: 6553 616e 7322 2066 6f6e 742d 7369 7a65  eSans\" font-size\n+00002270: 3d22 3130 2e30 3022 3e6d 6473 7061 6e3c  =\"10.00\">mdspan<\n+00002280: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d  /text>.</g>.<!--\n+00002290: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+000022a0: 6163 735f 6d61 7468 2623 3435 3b26 6774  acs_math&#45;&gt\n+000022b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+000022c0: 6163 735f 6d64 7370 616e 202d 2d3e 0a3c  acs_mdspan -->.<\n+000022d0: 6720 6964 3d22 6564 6765 3922 2063 6c61  g id=\"edge9\" cla\n+000022e0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+000022f0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+00002300: 6d61 6373 5f6d 6174 6826 2334 353b 2667  macs_math&#45;&g\n+00002310: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00002320: 6d61 6373 5f6d 6473 7061 6e3c 2f74 6974  macs_mdspan</tit\n+00002330: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00002340: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265  none\" stroke=\"re\n+00002350: 6422 2064 3d22 4d39 3731 2e35 2c2d 3134  d\" d=\"M971.5,-14\n+00002360: 362e 3739 4339 3737 2e37 332c 2d31 3434  6.79C977.73,-144\n+00002370: 2e38 3920 3938 342e 3538 2c2d 3134 332e  .89 984.58,-143.\n+00002380: 3032 2039 3931 2c2d 3134 312e 3734 2031  02 991,-141.74 1\n+00002390: 3135 322e 3333 2c2d 3130 392e 3632 2031  152.33,-109.62 1\n+000023a0: 3334 372e 3938 2c2d 3938 2e34 3220 3134  347.98,-98.42 14\n+000023b0: 3335 2e32 2c2d 3934 2e38 3422 2f3e 0a3c  35.2,-94.84\"/>.<\n+000023c0: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265  polygon fill=\"re\n+000023d0: 6422 2073 7472 6f6b 653d 2272 6564 2220  d\" stroke=\"red\" \n+000023e0: 706f 696e 7473 3d22 3134 3335 2e34 342c  points=\"1435.44,\n+000023f0: 2d39 382e 3333 2031 3434 352e 3239 2c2d  -98.33 1445.29,-\n+00002400: 3934 2e34 3420 3134 3335 2e31 362c 2d39  94.44 1435.16,-9\n+00002410: 312e 3334 2031 3433 352e 3434 2c2d 3938  1.34 1435.44,-98\n+00002420: 2e33 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .33\"/>.</g>.<!--\n+00002430: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00002440: 6163 735f 6e62 6e78 6d20 2d2d 3e0a 3c67  acs_nbnxm -->.<g\n+00002450: 2069 643d 226e 6f64 6534 2220 636c 6173   id=\"node4\" clas\n+00002460: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65  s=\"node\">.<title\n+00002470: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00002480: 6163 735f 6e62 6e78 6d3c 2f74 6974 6c65  acs_nbnxm</title\n+00002490: 3e0a 3c67 2069 643d 2261 5f6e 6f64 6534  >.<g id=\"a_node4\n+000024a0: 223e 3c61 2078 6c69 6e6b 3a68 7265 663d  \"><a xlink:href=\n+000024b0: 2267 726f 7570 5f5f 6d6f 6475 6c65 5f5f  \"group__module__\n+000024c0: 6e62 6e78 6d2e 7868 746d 6c22 2074 6172  nbnxm.xhtml\" tar\n+000024d0: 6765 743d 225f 746f 7022 2078 6c69 6e6b  get=\"_top\" xlink\n+000024e0: 3a74 6974 6c65 3d22 6e62 6e78 6d22 3e0a  :title=\"nbnxm\">.\n+000024f0: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223  <ellipse fill=\"#\n+00002500: 6535 6363 6666 2220 7374 726f 6b65 3d22  e5ccff\" stroke=\"\n+00002510: 626c 6163 6b22 2063 783d 2233 3835 2220  black\" cx=\"385\" \n+00002520: 6379 3d22 2d37 3231 2e30 3122 2072 783d  cy=\"-721.01\" rx=\n+00002530: 2233 322e 3535 2220 7279 3d22 3133 2e33  \"32.55\" ry=\"13.3\n+00002540: 3722 2f3e 0a3c 7465 7874 2074 6578 742d  7\"/>.<text text-\n+00002550: 616e 6368 6f72 3d22 6d69 6464 6c65 2220  anchor=\"middle\" \n+00002560: 783d 2233 3835 2220 793d 222d 3731 382e  x=\"385\" y=\"-718.\n+00002570: 3531 2220 666f 6e74 2d66 616d 696c 793d  51\" font-family=\n+00002580: 2246 7265 6553 616e 7322 2066 6f6e 742d  \"FreeSans\" font-\n+00002590: 7369 7a65 3d22 3130 2e30 3022 3e6e 626e  size=\"10.00\">nbn\n+000025a0: 786d 3c2f 7465 7874 3e0a 3c2f 613e 0a3c  xm</text>.</a>.<\n+000025b0: 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  /g>.</g>.<!-- mo\n+000025c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000025d0: 5f6e 626e 786d 2623 3435 3b26 6774 3b6d  _nbnxm&#45;&gt;m\n+000025e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000025f0: 735f 676d 786c 6962 202d 2d3e 0a3c 6720  s_gmxlib -->.<g \n+00002600: 6964 3d22 6564 6765 3135 2220 636c 6173  id=\"edge15\" clas\n+00002610: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+00002620: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00002630: 6163 735f 6e62 6e78 6d26 2334 353b 2667  acs_nbnxm&#45;&g\n+00002640: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00002650: 6d61 6373 5f67 6d78 6c69 623c 2f74 6974  macs_gmxlib</tit\n+00002660: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00002670: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n+00002680: 6662 6662 6622 2064 3d22 4d33 3937 2e31  fbfbf\" d=\"M397.1\n+00002690: 372c 2d37 3333 2e35 3243 3431 382e 3232  7,-733.52C418.22\n+000026a0: 2c2d 3735 332e 3531 2034 3632 2e36 372c  ,-753.51 462.67,\n+000026b0: 2d37 3936 2e31 2034 3939 2c2d 3833 332e  -796.1 499,-833.\n+000026c0: 3331 2035 3130 2e33 392c 2d38 3434 2e39  31 510.39,-844.9\n+000026d0: 3820 3530 392e 3932 2c2d 3835 312e 3935  8 509.92,-851.95\n+000026e0: 2035 3234 2c2d 3836 302e 3138 2035 3832   524,-860.18 582\n+000026f0: 2e38 312c 2d38 3934 2e35 3820 3632 362e  .81,-894.58 626.\n+00002700: 3636 2c2d 3834 362e 3234 2036 3733 2c2d  66,-846.24 673,-\n+00002710: 3839 362e 3138 2037 3139 2e37 352c 2d39  896.18 719.75,-9\n+00002720: 3436 2e35 3620 3634 392e 3035 2c2d 3130  46.56 649.05,-10\n+00002730: 3030 2e35 3420 3639 382c 2d31 3034 382e  00.54 698,-1048.\n+00002740: 3739 2037 3337 2e32 372c 2d31 3038 372e  79 737.27,-1087.\n+00002750: 3520 3930 322e 3537 2c2d 3130 3935 2e33  5 902.57,-1095.3\n+00002760: 3720 3938 312e 3135 2c2d 3130 3936 2e39  7 981.15,-1096.9\n+00002770: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+00002780: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n+00002790: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n+000027a0: 6e74 733d 2239 3831 2e31 342c 2d31 3130  nts=\"981.14,-110\n+000027b0: 302e 3420 3939 312e 322c 2d31 3039 372e  0.4 991.2,-1097.\n+000027c0: 3037 2039 3831 2e32 362c 2d31 3039 332e  07 981.26,-1093.\n+000027d0: 3420 3938 312e 3134 2c2d 3131 3030 2e34  4 981.14,-1100.4\n+000027e0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+000027f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00002800: 5f68 6172 6477 6172 6520 2d2d 3e0a 3c67  _hardware -->.<g\n+00002810: 2069 643d 226e 6f64 6537 2220 636c 6173   id=\"node7\" clas\n+00002820: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65  s=\"node\">.<title\n+00002830: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00002840: 6163 735f 6861 7264 7761 7265 3c2f 7469  acs_hardware</ti\n+00002850: 746c 653e 0a3c 656c 6c69 7073 6520 6669  tle>.<ellipse fi\n+00002860: 6c6c 3d22 2362 6662 6662 6622 2073 7472  ll=\"#bfbfbf\" str\n+00002870: 6f6b 653d 2262 6c61 636b 2220 6378 3d22  oke=\"black\" cx=\"\n+00002880: 3435 3022 2063 793d 222d 3834 362e 3735  450\" cy=\"-846.75\n+00002890: 2220 7278 3d22 3339 2e37 2220 7279 3d22  \" rx=\"39.7\" ry=\"\n+000028a0: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074  13.37\"/>.<text t\n+000028b0: 6578 742d 616e 6368 6f72 3d22 6d69 6464  ext-anchor=\"midd\n+000028c0: 6c65 2220 783d 2234 3530 2220 793d 222d  le\" x=\"450\" y=\"-\n+000028d0: 3834 342e 3235 2220 666f 6e74 2d66 616d  844.25\" font-fam\n+000028e0: 696c 793d 2246 7265 6553 616e 7322 2066  ily=\"FreeSans\" f\n+000028f0: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022  ont-size=\"10.00\"\n+00002900: 3e68 6172 6477 6172 653c 2f74 6578 743e  >hardware</text>\n+00002910: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+00002920: 655f 7372 635f 6772 6f6d 6163 735f 6e62  e_src_gromacs_nb\n+00002930: 6e78 6d26 2334 353b 2667 743b 6d6f 6475  nxm&#45;&gt;modu\n+00002940: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68  le_src_gromacs_h\n+00002950: 6172 6477 6172 6520 2d2d 3e0a 3c67 2069  ardware -->.<g i\n+00002960: 643d 2265 6467 6531 3322 2063 6c61 7373  d=\"edge13\" class\n+00002970: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00002980: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00002990: 6373 5f6e 626e 786d 2623 3435 3b26 6774  cs_nbnxm&#45;&gt\n+000029a0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+000029b0: 6163 735f 6861 7264 7761 7265 3c2f 7469  acs_hardware</ti\n+000029c0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+000029d0: 226e 6f6e 6522 2073 7472 6f6b 653d 2272  \"none\" stroke=\"r\n+000029e0: 6564 2220 643d 224d 3339 312e 3434 2c2d  ed\" d=\"M391.44,-\n+000029f0: 3733 342e 3237 4334 3032 2e34 372c 2d37  734.27C402.47,-7\n+00002a00: 3535 2e32 3720 3432 352e 312c 2d37 3938  55.27 425.1,-798\n+00002a10: 2e33 3420 3433 382e 3737 2c2d 3832 342e  .34 438.77,-824.\n+00002a20: 3337 222f 3e0a 3c70 6f6c 7967 6f6e 2066  37\"/>.<polygon f\n+00002a30: 696c 6c3d 2272 6564 2220 7374 726f 6b65  ill=\"red\" stroke\n+00002a40: 3d22 7265 6422 2070 6f69 6e74 733d 2234  =\"red\" points=\"4\n+00002a50: 3335 2e37 382c 2d38 3236 2e32 2034 3433  35.78,-826.2 443\n+00002a60: 2e35 332c 2d38 3333 2e34 3320 3434 312e  .53,-833.43 441.\n+00002a70: 3938 2c2d 3832 322e 3935 2034 3335 2e37  98,-822.95 435.7\n+00002a80: 382c 2d38 3236 2e32 222f 3e0a 3c2f 673e  8,-826.2\"/>.</g>\n+00002a90: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00002aa0: 5f67 726f 6d61 6373 5f6e 626e 786d 2623  _gromacs_nbnxm&#\n+00002ab0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00002ac0: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n+00002ad0: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467  s -->.<g id=\"edg\n+00002ae0: 6531 3022 2063 6c61 7373 3d22 6564 6765  e10\" class=\"edge\n+00002af0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00002b00: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e  _src_gromacs_nbn\n+00002b10: 786d 2623 3435 3b26 6774 3b6d 6f64 756c  xm&#45;&gt;modul\n+00002b20: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+00002b30: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70  types</title>.<p\n+00002b40: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00002b50: 7374 726f 6b65 3d22 7265 6422 2064 3d22  stroke=\"red\" d=\"\n+00002b60: 4d34 3137 2e32 372c 2d37 3232 2e38 3943  M417.27,-722.89C\n+00002b70: 3534 382e 3236 2c2d 3732 372e 3031 2031  548.26,-727.01 1\n+00002b80: 3033 392e 3235 2c2d 3734 3820 3131 3634  039.25,-748 1164\n+00002b90: 2c2d 3833 332e 3331 2031 3232 382e 3237  ,-833.31 1228.27\n+00002ba0: 2c2d 3837 372e 3236 2031 3138 382e 3334  ,-877.26 1188.34\n+00002bb0: 2c2d 3933 382e 3338 2031 3235 302c 2d39  ,-938.38 1250,-9\n+00002bc0: 3835 2e39 3220 3132 3839 2e36 372c 2d31  85.92 1289.67,-1\n+00002bd0: 3031 362e 3531 2031 3334 362e 3833 2c2d  016.51 1346.83,-\n+00002be0: 3130 3237 2e38 3620 3133 3837 2e30 392c  1027.86 1387.09,\n+00002bf0: 2d31 3033 322e 3033 222f 3e0a 3c70 6f6c  -1032.03\"/>.<pol\n+00002c00: 7967 6f6e 2066 696c 6c3d 2272 6564 2220  ygon fill=\"red\" \n+00002c10: 7374 726f 6b65 3d22 7265 6422 2070 6f69  stroke=\"red\" poi\n+00002c20: 6e74 733d 2231 3338 362e 3932 2c2d 3130  nts=\"1386.92,-10\n+00002c30: 3335 2e35 3320 3133 3937 2e32 2c2d 3130  35.53 1397.2,-10\n+00002c40: 3332 2e39 3720 3133 3837 2e35 372c 2d31  32.97 1387.57,-1\n+00002c50: 3032 382e 3536 2031 3338 362e 3932 2c2d  028.56 1386.92,-\n+00002c60: 3130 3335 2e35 3322 2f3e 0a3c 2f67 3e0a  1035.53\"/>.</g>.\n+00002c70: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00002c80: 6772 6f6d 6163 735f 6c69 7374 6564 5f66  gromacs_listed_f\n+00002c90: 6f72 6365 7320 2d2d 3e0a 3c67 2069 643d  orces -->.<g id=\n+00002ca0: 226e 6f64 6531 3022 2063 6c61 7373 3d22  \"node10\" class=\"\n+00002cb0: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f  node\">.<title>mo\n+00002cc0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00002cd0: 5f6c 6973 7465 645f 666f 7263 6573 3c2f  _listed_forces</\n+00002ce0: 7469 746c 653e 0a3c 6720 6964 3d22 615f  title>.<g id=\"a_\n+00002cf0: 6e6f 6465 3130 223e 3c61 2078 6c69 6e6b  node10\"><a xlink\n+00002d00: 3a68 7265 663d 2267 726f 7570 5f5f 6d6f  :href=\"group__mo\n+00002d10: 6475 6c65 5f5f 6c69 7374 6564 5f5f 666f  dule__listed__fo\n+00002d20: 7263 6573 2e78 6874 6d6c 2220 7461 7267  rces.xhtml\" targ\n+00002d30: 6574 3d22 5f74 6f70 2220 786c 696e 6b3a  et=\"_top\" xlink:\n+00002d40: 7469 746c 653d 226c 6973 7465 645f 666f  title=\"listed_fo\n+00002d50: 7263 6573 223e 0a3c 656c 6c69 7073 6520  rces\">.<ellipse \n+00002d60: 6669 6c6c 3d22 2365 3563 6366 6622 2073  fill=\"#e5ccff\" s\n+00002d70: 7472 6f6b 653d 2262 6c61 636b 2220 6378  troke=\"black\" cx\n+00002d80: 3d22 3338 3722 2063 793d 222d 3231 382e  =\"387\" cy=\"-218.\n+00002d90: 3035 2220 7278 3d22 3530 2e38 3222 2072  05\" rx=\"50.82\" r\n+00002da0: 793d 2231 332e 3337 222f 3e0a 3c74 6578  y=\"13.37\"/>.<tex\n+00002db0: 7420 7465 7874 2d61 6e63 686f 723d 226d  t text-anchor=\"m\n+00002dc0: 6964 646c 6522 2078 3d22 3338 3722 2079  iddle\" x=\"387\" y\n+00002dd0: 3d22 2d32 3135 2e35 3522 2066 6f6e 742d  =\"-215.55\" font-\n+00002de0: 6661 6d69 6c79 3d22 4672 6565 5361 6e73  family=\"FreeSans\n+00002df0: 2220 666f 6e74 2d73 697a 653d 2231 302e  \" font-size=\"10.\n+00002e00: 3030 223e 6c69 7374 6564 5f66 6f72 6365  00\">listed_force\n+00002e10: 733c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f  s</text>.</a>.</\n+00002e20: 673e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  g>.</g>.<!-- mod\n+00002e30: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00002e40: 6e62 6e78 6d26 2334 353b 2667 743b 6d6f  nbnxm&#45;&gt;mo\n+00002e50: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00002e60: 5f6c 6973 7465 645f 666f 7263 6573 202d  _listed_forces -\n+00002e70: 2d3e 0a3c 6720 6964 3d22 6564 6765 3136  ->.<g id=\"edge16\n+00002e80: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+00002e90: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+00002ea0: 635f 6772 6f6d 6163 735f 6e62 6e78 6d26  c_gromacs_nbnxm&\n+00002eb0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00002ec0: 7263 5f67 726f 6d61 6373 5f6c 6973 7465  rc_gromacs_liste\n+00002ed0: 645f 666f 7263 6573 3c2f 7469 746c 653e  d_forces</title>\n+00002ee0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+00002ef0: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n+00002f00: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n+00002f10: 7272 6179 3d22 352c 3222 2064 3d22 4d33  rray=\"5,2\" d=\"M3\n+00002f20: 3630 2e36 372c 2d37 3132 2e30 3543 3334  60.67,-712.05C34\n+00002f30: 322e 3831 2c2d 3730 332e 3936 2033 3139  2.81,-703.96 319\n+00002f40: 2e38 342c 2d36 3930 2e30 3120 3330 362c  .84,-690.01 306,\n+00002f50: 2d36 3731 2e35 3720 3235 322e 3934 2c2d  -671.57 252.94,-\n+00002f60: 3630 302e 3839 2032 3537 2e31 382c 2d35  600.89 257.18,-5\n+00002f70: 3730 2e31 3920 3234 332c 2d34 3832 2e39  70.19 243,-482.9\n+00002f80: 3620 3232 372e 3532 2c2d 3338 372e 3735  6 227.52,-387.75\n+00002f90: 2032 3130 2e38 322c 2d33 3434 2e34 3220   210.82,-344.42 \n+00002fa0: 3236 392c 2d32 3637 2e34 3820 3238 342e  269,-267.48 284.\n+00002fb0: 3533 2c2d 3234 362e 3934 2033 3130 2e37  53,-246.94 310.7\n+00002fc0: 2c2d 3233 342e 3932 2033 3334 2e35 332c  ,-234.92 334.53,\n+00002fd0: 2d32 3238 222f 3e0a 3c70 6f6c 7967 6f6e  -228\"/>.<polygon\n+00002fe0: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n+00002ff0: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00003000: 2070 6f69 6e74 733d 2233 3335 2e34 352c   points=\"335.45,\n+00003010: 2d32 3331 2e33 3820 3334 342e 3232 2c2d  -231.38 344.22,-\n+00003020: 3232 352e 3432 2033 3333 2e36 352c 2d32  225.42 333.65,-2\n+00003030: 3234 2e36 3120 3333 352e 3435 2c2d 3233  24.61 335.45,-23\n+00003040: 312e 3338 222f 3e0a 3c2f 673e 0a3c 212d  1.38\"/>.</g>.<!-\n+00003050: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+00003060: 6d61 6373 5f6e 626e 786d 2623 3435 3b26  macs_nbnxm&#45;&\n+00003070: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00003080: 6f6d 6163 735f 6577 616c 6420 2d2d 3e0a  omacs_ewald -->.\n+00003090: 3c67 2069 643d 2265 6467 6531 3722 2063  <g id=\"edge17\" c\n+000030a0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+000030b0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+000030c0: 726f 6d61 6373 5f6e 626e 786d 2623 3435  romacs_nbnxm&#45\n+000030d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+000030e0: 6772 6f6d 6163 735f 6577 616c 643c 2f74  gromacs_ewald</t\n+000030f0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00003100: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00003110: 2332 6363 6332 3822 2073 7472 6f6b 652d  #2ccc28\" stroke-\n+00003120: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+00003130: 643d 224d 3338 372e 3435 2c2d 3733 342e  d=\"M387.45,-734.\n+00003140: 3439 4333 3837 2e35 362c 2d37 3636 2e34  49C387.56,-766.4\n+00003150: 3420 3337 372e 3934 2c2d 3835 332e 3536  4 377.94,-853.56\n+00003160: 2033 3935 2c2d 3932 332e 3035 2033 3937   395,-923.05 397\n+00003170: 2e32 382c 2d39 3332 2e33 3320 3430 312e  .28,-932.33 401.\n+00003180: 3635 2c2d 3934 312e 3832 2034 3035 2e35  65,-941.82 405.5\n+00003190: 352c 2d39 3439 2e39 3222 2f3e 0a3c 706f  5,-949.92\"/>.<po\n+000031a0: 6c79 676f 6e20 6669 6c6c 3d22 2332 6363  lygon fill=\"#2cc\n+000031b0: 6332 3822 2073 7472 6f6b 653d 2223 3263  c28\" stroke=\"#2c\n+000031c0: 6363 3238 2220 706f 696e 7473 3d22 3430  cc28\" points=\"40\n+000031d0: 322e 3433 2c2d 3935 312e 3439 2034 3039  2.43,-951.49 409\n+000031e0: 2e39 312c 2d39 3538 2e39 3920 3430 382e  .91,-958.99 408.\n+000031f0: 3733 2c2d 3934 382e 3436 2034 3032 2e34  73,-948.46 402.4\n+00003200: 332c 2d39 3531 2e34 3922 2f3e 0a3c 2f67  3,-951.49\"/>.</g\n+00003210: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00003220: 635f 6772 6f6d 6163 735f 6770 755f 7574  c_gromacs_gpu_ut\n+00003230: 696c 7320 2d2d 3e0a 3c67 2069 643d 226e  ils -->.<g id=\"n\n+00003240: 6f64 6531 3922 2063 6c61 7373 3d22 6e6f  ode19\" class=\"no\n+00003250: 6465 223e 0a3c 7469 746c 653e 6d6f 6475  de\">.<title>modu\n+00003260: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+00003270: 7075 5f75 7469 6c73 3c2f 7469 746c 653e  pu_utils</title>\n+00003280: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22  .<ellipse fill=\"\n+00003290: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n+000032a0: 2262 6c61 636b 2220 6378 3d22 3634 3822  \"black\" cx=\"648\"\n+000032b0: 2063 793d 222d 3738 332e 3838 2220 7278   cy=\"-783.88\" rx\n+000032c0: 3d22 3339 2e37 2220 7279 3d22 3133 2e33  =\"39.7\" ry=\"13.3\n+000032d0: 3722 2f3e 0a3c 7465 7874 2074 6578 742d  7\"/>.<text text-\n+000032e0: 616e 6368 6f72 3d22 6d69 6464 6c65 2220  anchor=\"middle\" \n+000032f0: 783d 2236 3438 2220 793d 222d 3738 312e  x=\"648\" y=\"-781.\n+00003300: 3338 2220 666f 6e74 2d66 616d 696c 793d  38\" font-family=\n+00003310: 2246 7265 6553 616e 7322 2066 6f6e 742d  \"FreeSans\" font-\n+00003320: 7369 7a65 3d22 3130 2e30 3022 3e67 7075  size=\"10.00\">gpu\n+00003330: 5f75 7469 6c73 3c2f 7465 7874 3e0a 3c2f  _utils</text>.</\n+00003340: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00003350: 7263 5f67 726f 6d61 6373 5f6e 626e 786d  rc_gromacs_nbnxm\n+00003360: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00003370: 7372 635f 6772 6f6d 6163 735f 6770 755f  src_gromacs_gpu_\n+00003380: 7574 696c 7320 2d2d 3e0a 3c67 2069 643d  utils -->.<g id=\n+00003390: 2265 6467 6531 3122 2063 6c61 7373 3d22  \"edge11\" class=\"\n+000033a0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+000033b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000033c0: 5f6e 626e 786d 2623 3435 3b26 6774 3b6d  _nbnxm&#45;&gt;m\n+000033d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000033e0: 735f 6770 755f 7574 696c 733c 2f74 6974  s_gpu_utils</tit\n+000033f0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00003400: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265  none\" stroke=\"re\n+00003410: 6422 2064 3d22 4d34 3133 2e33 342c 2d37  d\" d=\"M413.34,-7\n+00003420: 3237 2e36 3143 3436 302e 3533 2c2d 3733  27.61C460.53,-73\n+00003430: 372e 3832 2035 3534 2e38 352c 2d37 3539  7.82 554.85,-759\n+00003440: 2e35 3620 3630 382e 3531 2c2d 3737 322e  .56 608.51,-772.\n+00003450: 3533 222f 3e0a 3c70 6f6c 7967 6f6e 2066  53\"/>.<polygon f\n+00003460: 696c 6c3d 2272 6564 2220 7374 726f 6b65  ill=\"red\" stroke\n+00003470: 3d22 7265 6422 2070 6f69 6e74 733d 2236  =\"red\" points=\"6\n+00003480: 3037 2e38 2c2d 3737 352e 3936 2036 3138  07.8,-775.96 618\n+00003490: 2e33 352c 2d37 3734 2e39 3220 3630 392e  .35,-774.92 609.\n+000034a0: 3436 2c2d 3736 392e 3136 2036 3037 2e38  46,-769.16 607.8\n+000034b0: 2c2d 3737 352e 3936 222f 3e0a 3c2f 673e  ,-775.96\"/>.</g>\n+000034c0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+000034d0: 5f67 726f 6d61 6373 5f6e 626e 786d 2623  _gromacs_nbnxm&#\n+000034e0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+000034f0: 635f 6772 6f6d 6163 735f 6d64 6c69 6220  c_gromacs_mdlib \n+00003500: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+00003510: 3422 2063 6c61 7373 3d22 6564 6765 223e  4\" class=\"edge\">\n+00003520: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00003530: 7263 5f67 726f 6d61 6373 5f6e 626e 786d  rc_gromacs_nbnxm\n+00003540: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00003550: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n+00003560: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n+00003570: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00003580: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n+00003590: 4d33 3637 2e32 372c 2d37 3039 2e35 4333  M367.27,-709.5C3\n+000035a0: 3337 2e35 352c 2d36 3837 2e31 3620 3238  37.55,-687.16 28\n+000035b0: 332e 3935 2c2d 3633 322e 3833 2033 3031  3.95,-632.83 301\n+000035c0: 2c2d 3538 312e 3833 2033 3436 2e30 322c  ,-581.83 346.02,\n+000035d0: 2d34 3437 2e31 3820 3337 312e 3132 2c2d  -447.18 371.12,-\n+000035e0: 3339 342e 3037 2034 3938 2c2d 3333 302e  394.07 498,-330.\n+000035f0: 3335 2035 3439 2e38 322c 2d33 3034 2e33  35 549.82,-304.3\n+00003600: 3320 3935 342e 362c 2d32 3837 2e36 3320  3 954.6,-287.63 \n+00003610: 3130 3832 2e35 312c 2d32 3833 2e31 3422  1082.51,-283.14\"\n+00003620: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00003630: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n+00003640: 653d 2223 6266 6266 6266 2220 706f 696e  e=\"#bfbfbf\" poin\n+00003650: 7473 3d22 3130 3832 2e37 352c 2d32 3836  ts=\"1082.75,-286\n+00003660: 2e36 3320 3130 3932 2e36 332c 2d32 3832  .63 1092.63,-282\n+00003670: 2e37 3920 3130 3832 2e35 312c 2d32 3739  .79 1082.51,-279\n+00003680: 2e36 3420 3130 3832 2e37 352c 2d32 3836  .64 1082.75,-286\n+00003690: 2e36 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .63\"/>.</g>.<!--\n+000036a0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+000036b0: 6163 735f 646f 6d64 6563 202d 2d3e 0a3c  acs_domdec -->.<\n+000036c0: 6720 6964 3d22 6e6f 6465 3431 2220 636c  g id=\"node41\" cl\n+000036d0: 6173 733d 226e 6f64 6522 3e0a 3c74 6974  ass=\"node\">.<tit\n+000036e0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+000036f0: 6f6d 6163 735f 646f 6d64 6563 3c2f 7469  omacs_domdec</ti\n+00003700: 746c 653e 0a3c 6720 6964 3d22 615f 6e6f  tle>.<g id=\"a_no\n+00003710: 6465 3431 223e 3c61 2078 6c69 6e6b 3a68  de41\"><a xlink:h\n+00003720: 7265 663d 2267 726f 7570 5f5f 6d6f 6475  ref=\"group__modu\n+00003730: 6c65 5f5f 646f 6d64 6563 2e78 6874 6d6c  le__domdec.xhtml\n+00003740: 2220 7461 7267 6574 3d22 5f74 6f70 2220  \" target=\"_top\" \n+00003750: 786c 696e 6b3a 7469 746c 653d 2264 6f6d  xlink:title=\"dom\n+00003760: 6465 6322 3e0a 3c65 6c6c 6970 7365 2066  dec\">.<ellipse f\n+00003770: 696c 6c3d 2223 6535 6363 6666 2220 7374  ill=\"#e5ccff\" st\n+00003780: 726f 6b65 3d22 626c 6163 6b22 2063 783d  roke=\"black\" cx=\n+00003790: 2235 3332 2220 6379 3d22 2d36 3538 2e31  \"532\" cy=\"-658.1\n+000037a0: 3422 2072 783d 2233 362e 3132 2220 7279  4\" rx=\"36.12\" ry\n+000037b0: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874  =\"13.37\"/>.<text\n+000037c0: 2074 6578 742d 616e 6368 6f72 3d22 6d69   text-anchor=\"mi\n+000037d0: 6464 6c65 2220 783d 2235 3332 2220 793d  ddle\" x=\"532\" y=\n+000037e0: 222d 3635 352e 3634 2220 666f 6e74 2d66  \"-655.64\" font-f\n+000037f0: 616d 696c 793d 2246 7265 6553 616e 7322  amily=\"FreeSans\"\n+00003800: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30   font-size=\"10.0\n+00003810: 3022 3e64 6f6d 6465 633c 2f74 6578 743e  0\">domdec</text>\n+00003820: 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a  .</a>.</g>.</g>.\n+00003830: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00003840: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334  gromacs_nbnxm&#4\n+00003850: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00003860: 5f67 726f 6d61 6373 5f64 6f6d 6465 6320  _gromacs_domdec \n+00003870: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+00003880: 3222 2063 6c61 7373 3d22 6564 6765 223e  2\" class=\"edge\">\n+00003890: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+000038a0: 7263 5f67 726f 6d61 6373 5f6e 626e 786d  rc_gromacs_nbnxm\n+000038b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+000038c0: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n+000038d0: 6563 3c2f 7469 746c 653e 0a3c 7061 7468  ec</title>.<path\n+000038e0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+000038f0: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n+00003900: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+00003910: 352c 3222 2064 3d22 4d34 3034 2e31 312c  5,2\" d=\"M404.11,\n+00003920: 2d37 3039 2e39 3543 3432 372e 372c 2d36  -709.95C427.7,-6\n+00003930: 3939 2e33 3720 3436 372e 3835 2c2d 3638  99.37 467.85,-68\n+00003940: 322e 3639 2034 3936 2e39 372c 2d36 3731  2.69 496.97,-671\n+00003950: 2e33 3522 2f3e 0a3c 706f 6c79 676f 6e20  .35\"/>.<polygon \n+00003960: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n+00003970: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+00003980: 706f 696e 7473 3d22 3439 382e 3331 2c2d  points=\"498.31,-\n+00003990: 3637 342e 3538 2035 3036 2e33 392c 2d36  674.58 506.39,-6\n+000039a0: 3637 2e37 3220 3439 352e 382c 2d36 3638  67.72 495.8,-668\n+000039b0: 2e30 3520 3439 382e 3331 2c2d 3637 342e  .05 498.31,-674.\n+000039c0: 3538 222f 3e0a 3c2f 673e 0a3c 212d 2d20  58\"/>.</g>.<!-- \n+000039d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000039e0: 6373 5f73 656c 6563 7469 6f6e 202d 2d3e  cs_selection -->\n+000039f0: 0a3c 6720 6964 3d22 6e6f 6465 3522 2063  .<g id=\"node5\" c\n+00003a00: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469  lass=\"node\">.<ti\n+00003a10: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00003a20: 726f 6d61 6373 5f73 656c 6563 7469 6f6e  romacs_selection\n+00003a30: 3c2f 7469 746c 653e 0a3c 6720 6964 3d22  </title>.<g id=\"\n+00003a40: 615f 6e6f 6465 3522 3e3c 6120 786c 696e  a_node5\"><a xlin\n+00003a50: 6b3a 6872 6566 3d22 6772 6f75 705f 5f6d  k:href=\"group__m\n+00003a60: 6f64 756c 655f 5f73 656c 6563 7469 6f6e  odule__selection\n+00003a70: 2e78 6874 6d6c 2220 7461 7267 6574 3d22  .xhtml\" target=\"\n+00003a80: 5f74 6f70 2220 786c 696e 6b3a 7469 746c  _top\" xlink:titl\n+00003a90: 653d 2273 656c 6563 7469 6f6e 223e 0a3c  e=\"selection\">.<\n+00003aa0: 656c 6c69 7073 6520 6669 6c6c 3d22 2366  ellipse fill=\"#f\n+00003ab0: 6663 6363 6322 2073 7472 6f6b 653d 2262  fcccc\" stroke=\"b\n+00003ac0: 6c61 636b 2220 6378 3d22 3834 3322 2063  lack\" cx=\"843\" c\n+00003ad0: 793d 222d 3932 2e33 3122 2072 783d 2233  y=\"-92.31\" rx=\"3\n+00003ae0: 392e 3722 2072 793d 2231 332e 3337 222f  9.7\" ry=\"13.37\"/\n+00003af0: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63  >.<text text-anc\n+00003b00: 686f 723d 226d 6964 646c 6522 2078 3d22  hor=\"middle\" x=\"\n+00003b10: 3834 3322 2079 3d22 2d38 392e 3831 2220  843\" y=\"-89.81\" \n+00003b20: 666f 6e74 2d66 616d 696c 793d 2246 7265  font-family=\"Fre\n+00003b30: 6553 616e 7322 2066 6f6e 742d 7369 7a65  eSans\" font-size\n+00003b40: 3d22 3130 2e30 3022 3e73 656c 6563 7469  =\"10.00\">selecti\n+00003b50: 6f6e 3c2f 7465 7874 3e0a 3c2f 613e 0a3c  on</text>.</a>.<\n+00003b60: 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  /g>.</g>.<!-- mo\n+00003b70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00003b80: 5f72 616e 646f 6d20 2d2d 3e0a 3c67 2069  _random -->.<g i\n+00003b90: 643d 226e 6f64 6536 2220 636c 6173 733d  d=\"node6\" class=\n+00003ba0: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d  \"node\">.<title>m\n+00003bb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00003bc0: 735f 7261 6e64 6f6d 3c2f 7469 746c 653e  s_random</title>\n+00003bd0: 0a3c 6720 6964 3d22 615f 6e6f 6465 3622  .<g id=\"a_node6\"\n+00003be0: 3e3c 6120 786c 696e 6b3a 6872 6566 3d22  ><a xlink:href=\"\n+00003bf0: 6772 6f75 705f 5f6d 6f64 756c 655f 5f72  group__module__r\n+00003c00: 616e 646f 6d2e 7868 746d 6c22 2074 6172  andom.xhtml\" tar\n+00003c10: 6765 743d 225f 746f 7022 2078 6c69 6e6b  get=\"_top\" xlink\n+00003c20: 3a74 6974 6c65 3d22 7261 6e64 6f6d 223e  :title=\"random\">\n+00003c30: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22  .<ellipse fill=\"\n+00003c40: 2366 6665 3463 6322 2073 7472 6f6b 653d  #ffe4cc\" stroke=\n+00003c50: 2262 6c61 636b 2220 6378 3d22 3137 3939  \"black\" cx=\"1799\n+00003c60: 2220 6379 3d22 2d32 3138 2e30 3522 2072  \" cy=\"-218.05\" r\n+00003c70: 783d 2233 342e 3822 2072 793d 2231 332e  x=\"34.8\" ry=\"13.\n+00003c80: 3337 222f 3e0a 3c74 6578 7420 7465 7874  37\"/>.<text text\n+00003c90: 2d61 6e63 686f 723d 226d 6964 646c 6522  -anchor=\"middle\"\n+00003ca0: 2078 3d22 3137 3939 2220 793d 222d 3231   x=\"1799\" y=\"-21\n+00003cb0: 352e 3535 2220 666f 6e74 2d66 616d 696c  5.55\" font-famil\n+00003cc0: 793d 2246 7265 6553 616e 7322 2066 6f6e  y=\"FreeSans\" fon\n+00003cd0: 742d 7369 7a65 3d22 3130 2e30 3022 3e72  t-size=\"10.00\">r\n+00003ce0: 616e 646f 6d3c 2f74 6578 743e 0a3c 2f61  andom</text>.</a\n+00003cf0: 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d  >.</g>.</g>.<!--\n+00003d00: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00003d10: 6163 735f 7365 6c65 6374 696f 6e26 2334  acs_selection&#4\n+00003d20: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00003d30: 5f67 726f 6d61 6373 5f72 616e 646f 6d20  _gromacs_random \n+00003d40: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n+00003d50: 3022 2063 6c61 7373 3d22 6564 6765 223e  0\" class=\"edge\">\n+00003d60: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00003d70: 7263 5f67 726f 6d61 6373 5f73 656c 6563  rc_gromacs_selec\n+00003d80: 7469 6f6e 2623 3435 3b26 6774 3b6d 6f64  tion&#45;&gt;mod\n+00003d90: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00003da0: 7261 6e64 6f6d 3c2f 7469 746c 653e 0a3c  random</title>.<\n+00003db0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00003dc0: 2073 7472 6f6b 653d 2223 3263 6363 3238   stroke=\"#2ccc28\n+00003dd0: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+00003de0: 6179 3d22 352c 3222 2064 3d22 4d38 3530  ay=\"5,2\" d=\"M850\n+00003df0: 2e33 2c2d 3130 352e 3637 4338 3631 2e34  .3,-105.67C861.4\n+00003e00: 382c 2d31 3233 2e32 3920 3838 342e 3637  8,-123.29 884.67\n+00003e10: 2c2d 3135 342e 3939 2039 3134 2c2d 3136  ,-154.99 914,-16\n+00003e20: 382e 3631 2039 3532 2e34 342c 2d31 3836  8.61 952.44,-186\n+00003e30: 2e34 3620 3135 3830 2e35 312c 2d32 3039  .46 1580.51,-209\n+00003e40: 2e34 3720 3137 3534 2e35 382c 2d32 3135  .47 1754.58,-215\n+00003e50: 2e35 3322 2f3e 0a3c 706f 6c79 676f 6e20  .53\"/>.<polygon \n+00003e60: 6669 6c6c 3d22 2332 6363 6332 3822 2073  fill=\"#2ccc28\" s\n+00003e70: 7472 6f6b 653d 2223 3263 6363 3238 2220  troke=\"#2ccc28\" \n+00003e80: 706f 696e 7473 3d22 3137 3534 2e35 362c  points=\"1754.56,\n+00003e90: 2d32 3139 2e30 3320 3137 3634 2e36 372c  -219.03 1764.67,\n+00003ea0: 2d32 3135 2e38 3820 3137 3534 2e38 2c2d  -215.88 1754.8,-\n+00003eb0: 3231 322e 3033 2031 3735 342e 3536 2c2d  212.03 1754.56,-\n+00003ec0: 3231 392e 3033 222f 3e0a 3c2f 673e 0a3c  219.03\"/>.</g>.<\n+00003ed0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00003ee0: 726f 6d61 6373 5f6f 6e6c 696e 6568 656c  romacs_onlinehel\n+00003ef0: 7020 2d2d 3e0a 3c67 2069 643d 226e 6f64  p -->.<g id=\"nod\n+00003f00: 6533 3622 2063 6c61 7373 3d22 6e6f 6465  e36\" class=\"node\n+00003f10: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00003f20: 5f73 7263 5f67 726f 6d61 6373 5f6f 6e6c  _src_gromacs_onl\n+00003f30: 696e 6568 656c 703c 2f74 6974 6c65 3e0a  inehelp</title>.\n+00003f40: 3c67 2069 643d 2261 5f6e 6f64 6533 3622  <g id=\"a_node36\"\n+00003f50: 3e3c 6120 786c 696e 6b3a 6872 6566 3d22  ><a xlink:href=\"\n+00003f60: 6772 6f75 705f 5f6d 6f64 756c 655f 5f6f  group__module__o\n+00003f70: 6e6c 696e 6568 656c 702e 7868 746d 6c22  nlinehelp.xhtml\"\n+00003f80: 2074 6172 6765 743d 225f 746f 7022 2078   target=\"_top\" x\n+00003f90: 6c69 6e6b 3a74 6974 6c65 3d22 6f6e 6c69  link:title=\"onli\n+00003fa0: 6e65 6865 6c70 223e 0a3c 656c 6c69 7073  nehelp\">.<ellips\n+00003fb0: 6520 6669 6c6c 3d22 2366 6665 3463 6322  e fill=\"#ffe4cc\"\n+00003fc0: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n+00003fd0: 6378 3d22 3939 3222 2063 793d 222d 3239  cx=\"992\" cy=\"-29\n+00003fe0: 2e34 3422 2072 783d 2234 322e 3335 2220  .44\" rx=\"42.35\" \n+00003ff0: 7279 3d22 3133 2e33 3722 2f3e 0a3c 7465  ry=\"13.37\"/>.<te\n+00004000: 7874 2074 6578 742d 616e 6368 6f72 3d22  xt text-anchor=\"\n+00004010: 6d69 6464 6c65 2220 783d 2239 3932 2220  middle\" x=\"992\" \n+00004020: 793d 222d 3236 2e39 3422 2066 6f6e 742d  y=\"-26.94\" font-\n+00004030: 6661 6d69 6c79 3d22 4672 6565 5361 6e73  family=\"FreeSans\n+00004040: 2220 666f 6e74 2d73 697a 653d 2231 302e  \" font-size=\"10.\n+00004050: 3030 223e 6f6e 6c69 6e65 6865 6c70 3c2f  00\">onlinehelp</\n+00004060: 7465 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a  text>.</a>.</g>.\n+00004070: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+00004080: 5f73 7263 5f67 726f 6d61 6373 5f73 656c  _src_gromacs_sel\n+00004090: 6563 7469 6f6e 2623 3435 3b26 6774 3b6d  ection&#45;&gt;m\n+000040a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000040b0: 735f 6f6e 6c69 6e65 6865 6c70 202d 2d3e  s_onlinehelp -->\n+000040c0: 0a3c 6720 6964 3d22 6564 6765 3139 2220  .<g id=\"edge19\" \n+000040d0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+000040e0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+000040f0: 6772 6f6d 6163 735f 7365 6c65 6374 696f  gromacs_selectio\n+00004100: 6e26 2334 353b 2667 743b 6d6f 6475 6c65  n&#45;&gt;module\n+00004110: 5f73 7263 5f67 726f 6d61 6373 5f6f 6e6c  _src_gromacs_onl\n+00004120: 696e 6568 656c 703c 2f74 6974 6c65 3e0a  inehelp</title>.\n+00004130: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00004140: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+00004150: 6322 2064 3d22 4d38 3636 2e39 342c 2d38  c\" d=\"M866.94,-8\n+00004160: 312e 3533 4338 3931 2e35 392c 2d37 312e  1.53C891.59,-71.\n+00004170: 3435 2039 3330 2e32 332c 2d35 352e 3637  45 930.23,-55.67\n+00004180: 2039 3538 2e30 332c 2d34 342e 3331 222f   958.03,-44.31\"/\n+00004190: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+000041a0: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+000041b0: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n+000041c0: 733d 2239 3539 2e34 342c 2d34 372e 3532  s=\"959.44,-47.52\n+000041d0: 2039 3637 2e33 382c 2d34 302e 3439 2039   967.38,-40.49 9\n+000041e0: 3536 2e38 2c2d 3431 2e30 3420 3935 392e  56.8,-41.04 959.\n+000041f0: 3434 2c2d 3437 2e35 3222 2f3e 0a3c 2f67  44,-47.52\"/>.</g\n+00004200: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00004210: 635f 6772 6f6d 6163 735f 6f70 7469 6f6e  c_gromacs_option\n+00004220: 7320 2d2d 3e0a 3c67 2069 643d 226e 6f64  s -->.<g id=\"nod\n+00004230: 6533 3722 2063 6c61 7373 3d22 6e6f 6465  e37\" class=\"node\n+00004240: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00004250: 5f73 7263 5f67 726f 6d61 6373 5f6f 7074  _src_gromacs_opt\n+00004260: 696f 6e73 3c2f 7469 746c 653e 0a3c 6720  ions</title>.<g \n+00004270: 6964 3d22 615f 6e6f 6465 3337 223e 3c61  id=\"a_node37\"><a\n+00004280: 2078 6c69 6e6b 3a68 7265 663d 2267 726f   xlink:href=\"gro\n+00004290: 7570 5f5f 6d6f 6475 6c65 5f5f 6f70 7469  up__module__opti\n+000042a0: 6f6e 732e 7868 746d 6c22 2074 6172 6765  ons.xhtml\" targe\n+000042b0: 743d 225f 746f 7022 2078 6c69 6e6b 3a74  t=\"_top\" xlink:t\n+000042c0: 6974 6c65 3d22 6f70 7469 6f6e 7322 3e0a  itle=\"options\">.\n+000042d0: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223  <ellipse fill=\"#\n+000042e0: 6666 6534 6363 2220 7374 726f 6b65 3d22  ffe4cc\" stroke=\"\n+000042f0: 626c 6163 6b22 2063 783d 2236 3537 2220  black\" cx=\"657\" \n+00004300: 6379 3d22 2d32 392e 3434 2220 7278 3d22  cy=\"-29.44\" rx=\"\n+00004310: 3333 2e38 3822 2072 793d 2231 332e 3337  33.88\" ry=\"13.37\n+00004320: 222f 3e0a 3c74 6578 7420 7465 7874 2d61  \"/>.<text text-a\n+00004330: 6e63 686f 723d 226d 6964 646c 6522 2078  nchor=\"middle\" x\n+00004340: 3d22 3635 3722 2079 3d22 2d32 362e 3934  =\"657\" y=\"-26.94\n+00004350: 2220 666f 6e74 2d66 616d 696c 793d 2246  \" font-family=\"F\n+00004360: 7265 6553 616e 7322 2066 6f6e 742d 7369  reeSans\" font-si\n+00004370: 7a65 3d22 3130 2e30 3022 3e6f 7074 696f  ze=\"10.00\">optio\n+00004380: 6e73 3c2f 7465 7874 3e0a 3c2f 613e 0a3c  ns</text>.</a>.<\n+00004390: 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  /g>.</g>.<!-- mo\n+000043a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000043b0: 5f73 656c 6563 7469 6f6e 2623 3435 3b26  _selection&#45;&\n+000043c0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+000043d0: 6f6d 6163 735f 6f70 7469 6f6e 7320 2d2d  omacs_options --\n+000043e0: 3e0a 3c67 2069 643d 2265 6467 6531 3822  >.<g id=\"edge18\"\n+000043f0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00004400: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00004410: 5f67 726f 6d61 6373 5f73 656c 6563 7469  _gromacs_selecti\n+00004420: 6f6e 2623 3435 3b26 6774 3b6d 6f64 756c  on&#45;&gt;modul\n+00004430: 655f 7372 635f 6772 6f6d 6163 735f 6f70  e_src_gromacs_op\n+00004440: 7469 6f6e 733c 2f74 6974 6c65 3e0a 3c70  tions</title>.<p\n+00004450: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00004460: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00004470: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n+00004480: 793d 2235 2c32 2220 643d 224d 3831 352e  y=\"5,2\" d=\"M815.\n+00004490: 3935 2c2d 3832 2e34 3543 3738 332e 3038  95,-82.45C783.08\n+000044a0: 2c2d 3731 2e36 3920 3732 372e 3534 2c2d  ,-71.69 727.54,-\n+000044b0: 3533 2e35 3220 3639 312e 3538 2c2d 3431  53.52 691.58,-41\n+000044c0: 2e37 3522 2f3e 0a3c 706f 6c79 676f 6e20  .75\"/>.<polygon \n+000044d0: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n+000044e0: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+000044f0: 706f 696e 7473 3d22 3639 322e 3539 2c2d  points=\"692.59,-\n+00004500: 3338 2e34 2036 3831 2e39 392c 2d33 382e  38.4 681.99,-38.\n+00004510: 3631 2036 3930 2e34 312c 2d34 352e 3035  61 690.41,-45.05\n+00004520: 2036 3932 2e35 392c 2d33 382e 3422 2f3e   692.59,-38.4\"/>\n+00004530: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+00004540: 655f 7372 635f 6772 6f6d 6163 735f 6861  e_src_gromacs_ha\n+00004550: 7264 7761 7265 2623 3435 3b26 6774 3b6d  rdware&#45;&gt;m\n+00004560: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00004570: 735f 6770 755f 7574 696c 7320 2d2d 3e0a  s_gpu_utils -->.\n+00004580: 3c67 2069 643d 2265 6467 6532 3122 2063  <g id=\"edge21\" c\n+00004590: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+000045a0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+000045b0: 726f 6d61 6373 5f68 6172 6477 6172 6526  romacs_hardware&\n+000045c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+000045d0: 7263 5f67 726f 6d61 6373 5f67 7075 5f75  rc_gromacs_gpu_u\n+000045e0: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061  tils</title>.<pa\n+000045f0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+00004600: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+00004610: 643d 224d 3437 352e 3437 2c2d 3833 362e  d=\"M475.47,-836.\n+00004620: 3337 4335 3039 2e31 362c 2d38 3235 2e33  37C509.16,-825.3\n+00004630: 3320 3536 382e 3536 2c2d 3830 372e 3035  3 568.56,-807.05\n+00004640: 2036 3038 2e31 382c 2d37 3935 2e35 222f   608.18,-795.5\"/\n+00004650: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00004660: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n+00004670: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n+00004680: 733d 2236 3039 2e31 362c 2d37 3938 2e38  s=\"609.16,-798.8\n+00004690: 3620 3631 372e 382c 2d37 3932 2e37 3120  6 617.8,-792.71 \n+000046a0: 3630 372e 3232 2c2d 3739 322e 3133 2036  607.22,-792.13 6\n+000046b0: 3039 2e31 362c 2d37 3938 2e38 3622 2f3e  09.16,-798.86\"/>\n+000046c0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+000046d0: 655f 7372 635f 6772 6f6d 6163 735f 7265  e_src_gromacs_re\n+000046e0: 7374 7261 696e 7420 2d2d 3e0a 3c67 2069  straint -->.<g i\n+000046f0: 643d 226e 6f64 6538 2220 636c 6173 733d  d=\"node8\" class=\n+00004700: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d  \"node\">.<title>m\n+00004710: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00004720: 735f 7265 7374 7261 696e 743c 2f74 6974  s_restraint</tit\n+00004730: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64  le>.<g id=\"a_nod\n+00004740: 6538 223e 3c61 2078 6c69 6e6b 3a68 7265  e8\"><a xlink:hre\n+00004750: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65  f=\"group__module\n+00004760: 5f5f 7265 7374 7261 696e 742e 7868 746d  __restraint.xhtm\n+00004770: 6c22 2074 6172 6765 743d 225f 746f 7022  l\" target=\"_top\"\n+00004780: 2078 6c69 6e6b 3a74 6974 6c65 3d22 7265   xlink:title=\"re\n+00004790: 7374 7261 696e 7422 3e0a 3c65 6c6c 6970  straint\">.<ellip\n+000047a0: 7365 2066 696c 6c3d 226e 6f6e 6522 2073  se fill=\"none\" s\n+000047b0: 7472 6f6b 653d 2262 6c61 636b 2220 6378  troke=\"black\" cx\n+000047c0: 3d22 3131 3235 2220 6379 3d22 2d35 3332  =\"1125\" cy=\"-532\n+000047d0: 2e34 2220 7278 3d22 3336 2e35 3422 2072  .4\" rx=\"36.54\" r\n+000047e0: 793d 2231 332e 3337 222f 3e0a 3c74 6578  y=\"13.37\"/>.<tex\n+000047f0: 7420 7465 7874 2d61 6e63 686f 723d 226d  t text-anchor=\"m\n+00004800: 6964 646c 6522 2078 3d22 3131 3235 2220  iddle\" x=\"1125\" \n+00004810: 793d 222d 3532 392e 3922 2066 6f6e 742d  y=\"-529.9\" font-\n+00004820: 6661 6d69 6c79 3d22 4672 6565 5361 6e73  family=\"FreeSans\n+00004830: 2220 666f 6e74 2d73 697a 653d 2231 302e  \" font-size=\"10.\n+00004840: 3030 223e 7265 7374 7261 696e 743c 2f74  00\">restraint</t\n+00004850: 6578 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c  ext>.</a>.</g>.<\n+00004860: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00004870: 7372 635f 6772 6f6d 6163 735f 7265 7374  src_gromacs_rest\n+00004880: 7261 696e 7426 2334 353b 2667 743b 6d6f  raint&#45;&gt;mo\n+00004890: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000048a0: 5f67 6d78 6c69 6220 2d2d 3e0a 3c67 2069  _gmxlib -->.<g i\n+000048b0: 643d 2265 6467 6532 3322 2063 6c61 7373  d=\"edge23\" class\n+000048c0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+000048d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000048e0: 6373 5f72 6573 7472 6169 6e74 2623 3435  cs_restraint&#45\n+000048f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00004900: 6772 6f6d 6163 735f 676d 786c 6962 3c2f  gromacs_gmxlib</\n+00004910: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00004920: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00004930: 2223 6266 6266 6266 2220 643d 224d 3131  \"#bfbfbf\" d=\"M11\n+00004940: 3134 2e37 392c 2d35 3435 2e35 3743 3130  14.79,-545.57C10\n+00004950: 3832 2e32 332c 2d35 3835 2e36 3520 3938  82.23,-585.65 98\n+00004960: 332c 2d37 3138 2e32 3720 3938 332c 2d38  3,-718.27 983,-8\n+00004970: 3435 2e37 3520 3938 332c 2d39 3733 2e34  45.75 983,-973.4\n+00004980: 3920 3938 332c 2d39 3733 2e34 3920 3938  9 983,-973.49 98\n+00004990: 332c 2d39 3733 2e34 3920 3938 332c 2d31  3,-973.49 983,-1\n+000049a0: 3030 372e 3631 2039 3836 2e37 332c 2d31  007.61 986.73,-1\n+000049b0: 3031 362e 3538 2039 3938 2c2d 3130 3438  016.58 998,-1048\n+000049c0: 2e37 3920 3130 3031 2e32 332c 2d31 3035  .79 1001.23,-105\n+000049d0: 382e 3034 2031 3030 352e 3934 2c2d 3130  8.04 1005.94,-10\n+000049e0: 3637 2e37 3220 3130 3130 2e34 2c2d 3130  67.72 1010.4,-10\n+000049f0: 3735 2e39 3822 2f3e 0a3c 706f 6c79 676f  75.98\"/>.<polygo\n+00004a00: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n+00004a10: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+00004a20: 2220 706f 696e 7473 3d22 3130 3037 2e34  \" points=\"1007.4\n+00004a30: 372c 2d31 3037 372e 3931 2031 3031 352e  7,-1077.91 1015.\n+00004a40: 3432 2c2d 3130 3834 2e39 3120 3130 3133  42,-1084.91 1013\n+00004a50: 2e35 372c 2d31 3037 342e 3438 2031 3030  .57,-1074.48 100\n+00004a60: 372e 3437 2c2d 3130 3737 2e39 3122 2f3e  7.47,-1077.91\"/>\n+00004a70: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+00004a80: 655f 7372 635f 6772 6f6d 6163 735f 7265  e_src_gromacs_re\n+00004a90: 7374 7261 696e 7426 2334 353b 2667 743b  straint&#45;&gt;\n+00004aa0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00004ab0: 6373 5f6d 6474 7970 6573 202d 2d3e 0a3c  cs_mdtypes -->.<\n+00004ac0: 6720 6964 3d22 6564 6765 3234 2220 636c  g id=\"edge24\" cl\n+00004ad0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00004ae0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00004af0: 6f6d 6163 735f 7265 7374 7261 696e 7426  omacs_restraint&\n+00004b00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00004b10: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n+00004b20: 6573 3c2f 7469 746c 653e 0a3c 7061 7468  es</title>.<path\n+00004b30: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00004b40: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n+00004b50: 224d 3131 3539 2e35 322c 2d35 3337 2e32  \"M1159.52,-537.2\n+00004b60: 3143 3131 3839 2e39 2c2d 3534 322e 3334  1C1189.9,-542.34\n+00004b70: 2031 3233 332e 3334 2c2d 3535 342e 3237   1233.34,-554.27\n+00004b80: 2031 3236 302c 2d35 3831 2e38 3320 3133   1260,-581.83 13\n+00004b90: 3931 2e31 372c 2d37 3137 2e34 3320 3132  91.17,-717.43 12\n+00004ba0: 3934 2e36 332c 2d38 3233 2e31 3420 3133  94.63,-823.14 13\n+00004bb0: 3930 2c2d 3938 352e 3932 2031 3339 362e  90,-985.92 1396.\n+00004bc0: 3331 2c2d 3939 362e 3639 2031 3430 352e  31,-996.69 1405.\n+00004bd0: 3337 2c2d 3130 3037 2e30 3520 3134 3133  37,-1007.05 1413\n+00004be0: 2e37 322c 2d31 3031 352e 3422 2f3e 0a3c  .72,-1015.4\"/>.<\n+00004bf0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n+00004c00: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n+00004c10: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n+00004c20: 3134 3131 2e34 342c 2d31 3031 382e 3036  1411.44,-1018.06\n+00004c30: 2031 3432 312e 3038 2c2d 3130 3232 2e34   1421.08,-1022.4\n+00004c40: 3620 3134 3136 2e32 392c 2d31 3031 332e  6 1416.29,-1013.\n+00004c50: 3031 2031 3431 312e 3434 2c2d 3130 3138  01 1411.44,-1018\n+00004c60: 2e30 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .06\"/>.</g>.<!--\n+00004c70: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00004c80: 6163 735f 7265 7374 7261 696e 7426 2334  acs_restraint&#4\n+00004c90: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00004ca0: 5f67 726f 6d61 6373 5f64 6f6d 6465 6320  _gromacs_domdec \n+00004cb0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n+00004cc0: 3222 2063 6c61 7373 3d22 6564 6765 223e  2\" class=\"edge\">\n+00004cd0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00004ce0: 7263 5f67 726f 6d61 6373 5f72 6573 7472  rc_gromacs_restr\n+00004cf0: 6169 6e74 2623 3435 3b26 6774 3b6d 6f64  aint&#45;&gt;mod\n+00004d00: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00004d10: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c  domdec</title>.<\n+00004d20: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00004d30: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+00004d40: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+00004d50: 6179 3d22 352c 3222 2064 3d22 4d31 3130  ay=\"5,2\" d=\"M110\n+00004d60: 372e 3539 2c2d 3534 342e 3538 4331 3038  7.59,-544.58C108\n+00004d70: 302e 3137 2c2d 3536 312e 3539 2031 3032  0.17,-561.59 102\n+00004d80: 342e 3732 2c2d 3539 332e 3536 2039 3733  4.72,-593.56 973\n+00004d90: 2c2d 3630 382e 3720 3833 332e 3633 2c2d  ,-608.7 833.63,-\n+00004da0: 3634 392e 3439 2036 3630 2e33 352c 2d36  649.49 660.35,-6\n+00004db0: 3536 2e34 3720 3537 382e 372c 2d36 3537  56.47 578.7,-657\n+00004dc0: 2e33 3122 2f3e 0a3c 706f 6c79 676f 6e20  .31\"/>.<polygon \n+00004dd0: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n+00004de0: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+00004df0: 706f 696e 7473 3d22 3537 382e 3234 2c2d  points=\"578.24,-\n+00004e00: 3635 332e 3832 2035 3638 2e32 372c 2d36  653.82 568.27,-6\n+00004e10: 3537 2e33 3920 3537 382e 332c 2d36 3630  57.39 578.3,-660\n+00004e20: 2e38 3220 3537 382e 3234 2c2d 3635 332e  .82 578.24,-653.\n+00004e30: 3832 222f 3e0a 3c2f 673e 0a3c 212d 2d20  82\"/>.</g>.<!-- \n+00004e40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00004e50: 6373 5f6d 6474 7970 6573 2623 3435 3b26  cs_mdtypes&#45;&\n+00004e60: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00004e70: 6f6d 6163 735f 6669 6c65 696f 202d 2d3e  omacs_fileio -->\n+00004e80: 0a3c 6720 6964 3d22 6564 6765 3330 2220  .<g id=\"edge30\" \n+00004e90: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+00004ea0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00004eb0: 6772 6f6d 6163 735f 6d64 7479 7065 7326  gromacs_mdtypes&\n+00004ec0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00004ed0: 7263 5f67 726f 6d61 6373 5f66 696c 6569  rc_gromacs_filei\n+00004ee0: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820  o</title>.<path \n+00004ef0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00004f00: 6b65 3d22 2332 6363 6332 3822 2073 7472  ke=\"#2ccc28\" str\n+00004f10: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n+00004f20: 2c32 2220 643d 224d 3134 3638 2e36 382c  ,2\" d=\"M1468.68,\n+00004f30: 2d31 3032 382e 3932 4331 3439 352e 3032  -1028.92C1495.02\n+00004f40: 2c2d 3130 3233 2e30 3520 3135 3330 2e32  ,-1023.05 1530.2\n+00004f50: 382c 2d31 3031 302e 3931 2031 3535 312c  8,-1010.91 1551,\n+00004f60: 2d39 3835 2e39 3220 3135 3636 2e35 342c  -985.92 1566.54,\n+00004f70: 2d39 3637 2e31 3820 3135 3833 2e38 352c  -967.18 1583.85,\n+00004f80: 2d37 3933 2e37 3220 3135 3931 2c2d 3737  -793.72 1591,-77\n+00004f90: 302e 3434 2031 3630 382e 3931 2c2d 3731  0.44 1608.91,-71\n+00004fa0: 322e 3133 2031 3631 372e 3831 2c2d 3639  2.13 1617.81,-69\n+00004fb0: 382e 3739 2031 3634 362c 2d36 3434 2e37  8.79 1646,-644.7\n+00004fc0: 2031 3635 342e 3637 2c2d 3632 382e 3037   1654.67,-628.07\n+00004fd0: 2031 3636 322e 3932 2c2d 3632 362e 3735   1662.92,-626.75\n+00004fe0: 2031 3636 382c 2d36 3038 2e37 2031 3637   1668,-608.7 167\n+00004ff0: 312e 3233 2c2d 3539 372e 3220 3136 3734  1.23,-597.2 1674\n+00005000: 2e32 382c 2d35 3931 2e39 3920 3136 3638  .28,-591.99 1668\n+00005010: 2c2d 3538 312e 3833 2031 3634 392e 3139  ,-581.83 1649.19\n+00005020: 2c2d 3535 312e 3420 3136 3134 2e38 312c  ,-551.4 1614.81,\n+00005030: 2d35 3736 2e32 3620 3135 3936 2c2d 3534  -576.26 1596,-54\n+00005040: 352e 3833 2031 3538 352e 3738 2c2d 3532  5.83 1585.78,-52\n+00005050: 392e 3239 2031 3539 302e 3634 2c2d 3530  9.29 1590.64,-50\n+00005060: 362e 3833 2031 3539 382e 3333 2c2d 3439  6.83 1598.33,-49\n+00005070: 302e 3735 222f 3e0a 3c70 6f6c 7967 6f6e  0.75\"/>.<polygon\n+00005080: 2066 696c 6c3d 2223 3263 6363 3238 2220   fill=\"#2ccc28\" \n+00005090: 7374 726f 6b65 3d22 2332 6363 6332 3822  stroke=\"#2ccc28\"\n+000050a0: 2070 6f69 6e74 733d 2231 3630 312e 3537   points=\"1601.57\n+000050b0: 2c2d 3439 322e 3132 2031 3630 332e 3337  ,-492.12 1603.37\n+000050c0: 2c2d 3438 312e 3638 2031 3539 352e 3435  ,-481.68 1595.45\n+000050d0: 2c2d 3438 382e 3732 2031 3630 312e 3537  ,-488.72 1601.57\n+000050e0: 2c2d 3439 322e 3132 222f 3e0a 3c2f 673e  ,-492.12\"/>.</g>\n+000050f0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00005100: 5f67 726f 6d61 6373 5f6d 6474 7970 6573  _gromacs_mdtypes\n+00005110: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00005120: 7372 635f 6772 6f6d 6163 735f 6577 616c  src_gromacs_ewal\n+00005130: 6420 2d2d 3e0a 3c67 2069 643d 2265 6467  d -->.<g id=\"edg\n+00005140: 6532 3722 2063 6c61 7373 3d22 6564 6765  e27\" class=\"edge\n+00005150: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00005160: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474  _src_gromacs_mdt\n+00005170: 7970 6573 2623 3435 3b26 6774 3b6d 6f64  ypes&#45;&gt;mod\n+00005180: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00005190: 6577 616c 643c 2f74 6974 6c65 3e0a 3c70  ewald</title>.<p\n+000051a0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+000051b0: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+000051c0: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n+000051d0: 793d 2235 2c32 2220 643d 224d 3133 3937  y=\"5,2\" d=\"M1397\n+000051e0: 2e36 392c 2d31 3033 322e 3343 3132 3337  .69,-1032.3C1237\n+000051f0: 2e37 382c 2d31 3032 332e 3131 2036 3131  .78,-1023.11 611\n+00005200: 2e38 372c 2d39 3835 2e39 3120 3434 392e  .87,-985.91 449.\n+00005210: 3536 2c2d 3937 352e 3935 222f 3e0a 3c70  56,-975.95\"/>.<p\n+00005220: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n+00005230: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n+00005240: 3832 6663 6322 2070 6f69 6e74 733d 2234  82fcc\" points=\"4\n+00005250: 3439 2e37 342c 2d39 3732 2e34 3520 3433  49.74,-972.45 43\n+00005260: 392e 3535 2c2d 3937 352e 3333 2034 3439  9.55,-975.33 449\n+00005270: 2e33 312c 2d39 3739 2e34 3420 3434 392e  .31,-979.44 449.\n+00005280: 3734 2c2d 3937 322e 3435 222f 3e0a 3c2f  74,-972.45\"/>.</\n+00005290: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+000052a0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n+000052b0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c  es&#45;&gt;modul\n+000052c0: 655f 7372 635f 6772 6f6d 6163 735f 6770  e_src_gromacs_gp\n+000052d0: 755f 7574 696c 7320 2d2d 3e0a 3c67 2069  u_utils -->.<g i\n+000052e0: 643d 2265 6467 6532 3622 2063 6c61 7373  d=\"edge26\" class\n+000052f0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00005300: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00005310: 6373 5f6d 6474 7970 6573 2623 3435 3b26  cs_mdtypes&#45;&\n+00005320: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00005330: 6f6d 6163 735f 6770 755f 7574 696c 733c  omacs_gpu_utils<\n+00005340: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00005350: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00005360: 3d22 2332 3832 6663 6322 2064 3d22 4d31  =\"#282fcc\" d=\"M1\n+00005370: 3339 362e 3832 2c2d 3130 3334 2e35 3143  396.82,-1034.51C\n+00005380: 3133 3530 2e34 332c 2d31 3033 332e 3132  1350.43,-1033.12\n+00005390: 2031 3237 322e 3439 2c2d 3130 3234 2e38   1272.49,-1024.8\n+000053a0: 3520 3132 3231 2c2d 3938 352e 3932 2031  5 1221,-985.92 1\n+000053b0: 3135 392e 3037 2c2d 3933 392e 3120 3132  159.07,-939.1 12\n+000053c0: 3030 2e39 352c 2d38 3735 2e38 3520 3131  00.95,-875.85 11\n+000053d0: 3336 2c2d 3833 332e 3331 2031 3039 392e  36,-833.31 1099.\n+000053e0: 3533 2c2d 3830 392e 3432 2038 3133 2e34  53,-809.42 813.4\n+000053f0: 352c 2d37 3933 2e31 3720 3639 362e 3936  5,-793.17 696.96\n+00005400: 2c2d 3738 372e 3322 2f3e 0a3c 706f 6c79  ,-787.3\"/>.<poly\n+00005410: 676f 6e20 6669 6c6c 3d22 2332 3832 6663  gon fill=\"#282fc\n+00005420: 6322 2073 7472 6f6b 653d 2223 3238 3266  c\" stroke=\"#282f\n+00005430: 6363 2220 706f 696e 7473 3d22 3639 372e  cc\" points=\"697.\n+00005440: 3035 2c2d 3738 332e 3820 3638 362e 3839  05,-783.8 686.89\n+00005450: 2c2d 3738 362e 3820 3639 362e 3731 2c2d  ,-786.8 696.71,-\n+00005460: 3739 302e 3739 2036 3937 2e30 352c 2d37  790.79 697.05,-7\n+00005470: 3833 2e38 222f 3e0a 3c2f 673e 0a3c 212d  83.8\"/>.</g>.<!-\n+00005480: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+00005490: 6d61 6373 5f6d 6474 7970 6573 2623 3435  macs_mdtypes&#45\n+000054a0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+000054b0: 6772 6f6d 6163 735f 6d64 6c69 6220 2d2d  gromacs_mdlib --\n+000054c0: 3e0a 3c67 2069 643d 2265 6467 6532 3822  >.<g id=\"edge28\"\n+000054d0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+000054e0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+000054f0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573  _gromacs_mdtypes\n+00005500: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00005510: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n+00005520: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n+00005530: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00005540: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n+00005550: 4d31 3433 332e 3031 2c2d 3130 3231 2e38  M1433.01,-1021.8\n+00005560: 3243 3134 3335 2e31 2c2d 3939 392e 3539  2C1435.1,-999.59\n+00005570: 2031 3434 362c 2d39 3531 2e37 3420 3134   1446,-951.74 14\n+00005580: 3436 2c2d 3931 302e 3632 2031 3434 362c  46,-910.62 1446,\n+00005590: 2d39 3130 2e36 3220 3134 3436 2c2d 3931  -910.62 1446,-91\n+000055a0: 302e 3632 2031 3434 362c 2d35 3331 2e34  0.62 1446,-531.4\n+000055b0: 2031 3434 362c 2d34 3936 2e35 3320 3134   1446,-496.53 14\n+000055c0: 3430 2e32 362c 2d34 3836 2e39 3320 3134  40.26,-486.93 14\n+000055d0: 3234 2c2d 3435 362e 3039 2031 3339 302e  24,-456.09 1390.\n+000055e0: 332c 2d33 3932 2e31 3920 3133 3832 2e33  3,-392.19 1382.3\n+000055f0: 362c 2d33 3638 2e34 3820 3133 3231 2c2d  6,-368.48 1321,-\n+00005600: 3333 302e 3335 2031 3237 302e 3535 2c2d  330.35 1270.55,-\n+00005610: 3239 382e 3939 2031 3230 312e 3834 2c2d  298.99 1201.84,-\n+00005620: 3238 372e 3931 2031 3135 392e 3338 2c2d  287.91 1159.38,-\n+00005630: 3238 342e 3031 222f 3e0a 3c70 6f6c 7967  284.01\"/>.<polyg\n+00005640: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n+00005650: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+00005660: 6622 2070 6f69 6e74 733d 2231 3135 392e  f\" points=\"1159.\n+00005670: 3434 2c2d 3238 302e 3520 3131 3439 2e31  44,-280.5 1149.1\n+00005680: 382c 2d32 3833 2e31 3620 3131 3538 2e38  8,-283.16 1158.8\n+00005690: 362c 2d32 3837 2e34 3720 3131 3539 2e34  6,-287.47 1159.4\n+000056a0: 342c 2d32 3830 2e35 222f 3e0a 3c2f 673e  4,-280.5\"/>.</g>\n+000056b0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+000056c0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573  _gromacs_mdtypes\n+000056d0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+000056e0: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n+000056f0: 6563 202d 2d3e 0a3c 6720 6964 3d22 6564  ec -->.<g id=\"ed\n+00005700: 6765 3235 2220 636c 6173 733d 2265 6467  ge25\" class=\"edg\n+00005710: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00005720: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+00005730: 7479 7065 7326 2334 353b 2667 743b 6d6f  types&#45;&gt;mo\n+00005740: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00005750: 5f64 6f6d 6465 633c 2f74 6974 6c65 3e0a  _domdec</title>.\n+00005760: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00005770: 2220 7374 726f 6b65 3d22 7265 6422 2064  \" stroke=\"red\" d\n+00005780: 3d22 4d31 3339 372e 3734 2c2d 3130 3332  =\"M1397.74,-1032\n+00005790: 2e31 3843 3133 3539 2e34 362c 2d31 3032  .18C1359.46,-102\n+000057a0: 382e 3233 2031 3330 302e 3436 2c2d 3130  8.23 1300.46,-10\n+000057b0: 3137 2e31 3220 3132 3631 2c2d 3938 352e  17.12 1261,-985.\n+000057c0: 3932 2031 3139 392e 3736 2c2d 3933 372e  92 1199.76,-937.\n+000057d0: 3439 2031 3233 322e 3836 2c2d 3838 342e  49 1232.86,-884.\n+000057e0: 3620 3131 3734 2c2d 3833 332e 3331 2039  6 1174,-833.31 9\n+000057f0: 3935 2e38 372c 2d36 3738 2e30 3920 3639  95.87,-678.09 69\n+00005800: 332e 3637 2c2d 3635 392e 3338 2035 3738  3.67,-659.38 578\n+00005810: 2e34 312c 2d36 3538 2e33 3922 2f3e 0a3c  .41,-658.39\"/>.<\n+00005820: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265  polygon fill=\"re\n+00005830: 6422 2073 7472 6f6b 653d 2272 6564 2220  d\" stroke=\"red\" \n+00005840: 706f 696e 7473 3d22 3537 382e 3139 2c2d  points=\"578.19,-\n+00005850: 3635 342e 3839 2035 3638 2e31 372c 2d36  654.89 568.17,-6\n+00005860: 3538 2e33 3520 3537 382e 3136 2c2d 3636  58.35 578.16,-66\n+00005870: 312e 3839 2035 3738 2e31 392c 2d36 3534  1.89 578.19,-654\n+00005880: 2e38 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .89\"/>.</g>.<!--\n+00005890: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+000058a0: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n+000058b0: 6573 5f61 7768 202d 2d3e 0a3c 6720 6964  es_awh -->.<g id\n+000058c0: 3d22 6e6f 6465 3438 2220 636c 6173 733d  =\"node48\" class=\n+000058d0: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d  \"node\">.<title>m\n+000058e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000058f0: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n+00005900: 5f61 7768 3c2f 7469 746c 653e 0a3c 6720  _awh</title>.<g \n+00005910: 6964 3d22 615f 6e6f 6465 3438 223e 3c61  id=\"a_node48\"><a\n+00005920: 2078 6c69 6e6b 3a68 7265 663d 2267 726f   xlink:href=\"gro\n+00005930: 7570 5f5f 6d6f 6475 6c65 5f5f 6177 682e  up__module__awh.\n+00005940: 7868 746d 6c22 2074 6172 6765 743d 225f  xhtml\" target=\"_\n+00005950: 746f 7022 2078 6c69 6e6b 3a74 6974 6c65  top\" xlink:title\n+00005960: 3d22 6177 6822 3e0a 3c65 6c6c 6970 7365  =\"awh\">.<ellipse\n+00005970: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00005980: 6f6b 653d 2262 6c61 636b 2220 6378 3d22  oke=\"black\" cx=\"\n+00005990: 3136 3431 2220 6379 3d22 2d35 3332 2e34  1641\" cy=\"-532.4\n+000059a0: 2220 7278 3d22 3237 2220 7279 3d22 3133  \" rx=\"27\" ry=\"13\n+000059b0: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n+000059c0: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n+000059d0: 2220 783d 2231 3634 3122 2079 3d22 2d35  \" x=\"1641\" y=\"-5\n+000059e0: 3239 2e39 2220 666f 6e74 2d66 616d 696c  29.9\" font-famil\n+000059f0: 793d 2246 7265 6553 616e 7322 2066 6f6e  y=\"FreeSans\" fon\n+00005a00: 742d 7369 7a65 3d22 3130 2e30 3022 3e61  t-size=\"10.00\">a\n+00005a10: 7768 3c2f 7465 7874 3e0a 3c2f 613e 0a3c  wh</text>.</a>.<\n+00005a20: 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  /g>.</g>.<!-- mo\n+00005a30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00005a40: 5f6d 6474 7970 6573 2623 3435 3b26 6774  _mdtypes&#45;&gt\n+00005a50: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00005a60: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n+00005a70: 6573 5f61 7768 202d 2d3e 0a3c 6720 6964  es_awh -->.<g id\n+00005a80: 3d22 6564 6765 3239 2220 636c 6173 733d  =\"edge29\" class=\n+00005a90: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+00005aa0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00005ab0: 735f 6d64 7479 7065 7326 2334 353b 2667  s_mdtypes&#45;&g\n+00005ac0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00005ad0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n+00005ae0: 6365 735f 6177 683c 2f74 6974 6c65 3e0a  ces_awh</title>.\n+00005af0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00005b00: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+00005b10: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n+00005b20: 7261 793d 2235 2c32 2220 643d 224d 3134  ray=\"5,2\" d=\"M14\n+00005b30: 3732 2e33 372c 2d31 3033 322e 3239 4331  72.37,-1032.29C1\n+00005b40: 3534 302e 3635 2c2d 3130 3236 2e32 3820  540.65,-1026.28 \n+00005b50: 3136 3738 2c2d 3130 3032 2e37 3320 3136  1678,-1002.73 16\n+00005b60: 3738 2c2d 3931 302e 3632 2031 3637 382c  78,-910.62 1678,\n+00005b70: 2d39 3130 2e36 3220 3136 3738 2c2d 3931  -910.62 1678,-91\n+00005b80: 302e 3632 2031 3637 382c 2d37 3832 2e38  0.62 1678,-782.8\n+00005b90: 3820 3136 3738 2c2d 3639 322e 3833 2031  8 1678,-692.83 1\n+00005ba0: 3734 352e 3036 2c2d 3636 312e 3434 2031  745.06,-661.44 1\n+00005bb0: 3730 332c 2d35 3831 2e38 3320 3136 3935  703,-581.83 1695\n+00005bc0: 2e30 372c 2d35 3636 2e38 3220 3136 3830  .07,-566.82 1680\n+00005bd0: 2e31 372c 2d35 3535 2e35 3920 3136 3636  .17,-555.59 1666\n+00005be0: 2e38 352c 2d35 3437 2e37 3422 2f3e 0a3c  .85,-547.74\"/>.<\n+00005bf0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n+00005c00: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n+00005c10: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n+00005c20: 3136 3638 2e34 332c 2d35 3434 2e36 3120  1668.43,-544.61 \n+00005c30: 3136 3537 2e39 382c 2d35 3432 2e38 3420  1657.98,-542.84 \n+00005c40: 3136 3635 2e30 342c 2d35 3530 2e37 3420  1665.04,-550.74 \n+00005c50: 3136 3638 2e34 332c 2d35 3434 2e36 3122  1668.43,-544.61\"\n+00005c60: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00005c70: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00005c80: 6c69 7374 6564 5f66 6f72 6365 7326 2334  listed_forces&#4\n+00005c90: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00005ca0: 5f67 726f 6d61 6373 5f67 6d78 6c69 6220  _gromacs_gmxlib \n+00005cb0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6533  -->.<g id=\"edge3\n+00005cc0: 3222 2063 6c61 7373 3d22 6564 6765 223e  2\" class=\"edge\">\n+00005cd0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00005ce0: 7263 5f67 726f 6d61 6373 5f6c 6973 7465  rc_gromacs_liste\n+00005cf0: 645f 666f 7263 6573 2623 3435 3b26 6774  d_forces&#45;&gt\n+00005d00: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00005d10: 6163 735f 676d 786c 6962 3c2f 7469 746c  acs_gmxlib</titl\n+00005d20: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+00005d30: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n+00005d40: 6266 6266 2220 643d 224d 3338 362e 3933  bfbf\" d=\"M386.93\n+00005d50: 2c2d 3233 312e 3839 4333 3836 2e37 332c  ,-231.89C386.73,\n+00005d60: 2d32 3637 2e35 2033 3836 2e31 382c 2d33  -267.5 386.18,-3\n+00005d70: 3730 2e34 3920 3338 362c 2d34 3536 2e30  70.49 386,-456.0\n+00005d80: 3920 3338 352e 3932 2c2d 3439 362e 3237  9 385.92,-496.27\n+00005d90: 2033 3834 2e39 2c2d 3530 372e 3531 2033   384.9,-507.51 3\n+00005da0: 3937 2c2d 3534 352e 3833 2034 3437 2e34  97,-545.83 447.4\n+00005db0: 2c2d 3730 352e 3339 2035 3332 2e32 372c  ,-705.39 532.27,\n+00005dc0: 2d38 3439 2e30 3320 3534 362c 2d38 3630  -849.03 546,-860\n+00005dd0: 2e31 3820 3539 352e 3837 2c2d 3930 302e  .18 595.87,-900.\n+00005de0: 3639 2036 3431 2e36 2c2d 3834 392e 3734  69 641.6,-849.74\n+00005df0: 2036 3836 2c2d 3839 362e 3138 2037 3333   686,-896.18 733\n+00005e00: 2e38 392c 2d39 3436 2e32 3720 3636 372e  .89,-946.27 667.\n+00005e10: 3831 2c2d 3130 3031 2e30 3120 3731 382c  81,-1001.01 718,\n+00005e20: 2d31 3034 382e 3739 2037 3535 2e30 312c  -1048.79 755.01,\n+00005e30: 2d31 3038 342e 3033 2039 3036 2e30 322c  -1084.03 906.02,\n+00005e40: 2d31 3039 332e 3634 2039 3830 2e37 332c  -1093.64 980.73,\n+00005e50: 2d31 3039 362e 3236 222f 3e0a 3c70 6f6c  -1096.26\"/>.<pol\n+00005e60: 7967 6f6e 2066 696c 6c3d 2223 6266 6266  ygon fill=\"#bfbf\n+00005e70: 6266 2220 7374 726f 6b65 3d22 2362 6662  bf\" stroke=\"#bfb\n+00005e80: 6662 6622 2070 6f69 6e74 733d 2239 3831  fbf\" points=\"981\n+00005e90: 2e30 372c 2d31 3039 392e 3737 2039 3931  .07,-1099.77 991\n+00005ea0: 2e31 382c 2d31 3039 362e 3539 2039 3831  .18,-1096.59 981\n+00005eb0: 2e32 392c 2d31 3039 322e 3737 2039 3831  .29,-1092.77 981\n+00005ec0: 2e30 372c 2d31 3039 392e 3737 222f 3e0a  .07,-1099.77\"/>.\n+00005ed0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+00005ee0: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973  _src_gromacs_lis\n+00005ef0: 7465 645f 666f 7263 6573 2623 3435 3b26  ted_forces&#45;&\n+00005f00: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00005f10: 6f6d 6163 735f 6e62 6e78 6d20 2d2d 3e0a  omacs_nbnxm -->.\n+00005f20: 3c67 2069 643d 2265 6467 6533 3922 2063  <g id=\"edge39\" c\n+00005f30: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00005f40: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00005f50: 726f 6d61 6373 5f6c 6973 7465 645f 666f  romacs_listed_fo\n+00005f60: 7263 6573 2623 3435 3b26 6774 3b6d 6f64  rces&#45;&gt;mod\n+00005f70: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00005f80: 6e62 6e78 6d3c 2f74 6974 6c65 3e0a 3c70  nbnxm</title>.<p\n+00005f90: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00005fa0: 7374 726f 6b65 3d22 7265 6422 2064 3d22  stroke=\"red\" d=\"\n+00005fb0: 4d33 3531 2e33 322c 2d32 3237 2e37 3343  M351.32,-227.73C\n+00005fc0: 3332 392e 3339 2c2d 3233 342e 3631 2033  329.39,-234.61 3\n+00005fd0: 3032 2e37 342c 2d32 3436 2e36 3720 3238  02.74,-246.67 28\n+00005fe0: 372c 2d32 3637 2e34 3820 3232 382e 3832  7,-267.48 228.82\n+00005ff0: 2c2d 3334 342e 3432 2032 3435 2e35 322c  ,-344.42 245.52,\n+00006000: 2d33 3837 2e37 3520 3236 312c 2d34 3832  -387.75 261,-482\n+00006010: 2e39 3620 3237 352e 3138 2c2d 3537 302e  .96 275.18,-570.\n+00006020: 3139 2032 3730 2e39 342c 2d36 3030 2e38  19 270.94,-600.8\n+00006030: 3920 3332 342c 2d36 3731 2e35 3720 3333  9 324,-671.57 33\n+00006040: 332e 3835 2c2d 3638 342e 3720 3334 382e  3.85,-684.7 348.\n+00006050: 3333 2c2d 3639 352e 3535 2033 3630 2e38  33,-695.55 360.8\n+00006060: 332c 2d37 3033 2e36 3322 2f3e 0a3c 706f  3,-703.63\"/>.<po\n+00006070: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422  lygon fill=\"red\"\n+00006080: 2073 7472 6f6b 653d 2272 6564 2220 706f   stroke=\"red\" po\n+00006090: 696e 7473 3d22 3335 392e 3135 2c2d 3730  ints=\"359.15,-70\n+000060a0: 362e 3720 3336 392e 3439 2c2d 3730 392e  6.7 369.49,-709.\n+000060b0: 3032 2033 3632 2e38 352c 2d37 3030 2e37  02 362.85,-700.7\n+000060c0: 3620 3335 392e 3135 2c2d 3730 362e 3722  6 359.15,-706.7\"\n+000060d0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+000060e0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000060f0: 6c69 7374 6564 5f66 6f72 6365 7326 2334  listed_forces&#4\n+00006100: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00006110: 5f67 726f 6d61 6373 5f68 6172 6477 6172  _gromacs_hardwar\n+00006120: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467  e -->.<g id=\"edg\n+00006130: 6533 3722 2063 6c61 7373 3d22 6564 6765  e37\" class=\"edge\n+00006140: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00006150: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973  _src_gromacs_lis\n+00006160: 7465 645f 666f 7263 6573 2623 3435 3b26  ted_forces&#45;&\n+00006170: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00006180: 6f6d 6163 735f 6861 7264 7761 7265 3c2f  omacs_hardware</\n+00006190: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+000061a0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+000061b0: 2272 6564 2220 643d 224d 3334 342e 3132  \"red\" d=\"M344.12\n+000061c0: 2c2d 3232 352e 3337 4333 3135 2e39 362c  ,-225.37C315.96,\n+000061d0: 2d32 3331 2e36 3120 3238 302e 3138 2c2d  -231.61 280.18,-\n+000061e0: 3234 332e 3833 2032 3537 2c2d 3236 372e  243.83 257,-267.\n+000061f0: 3438 2032 3131 2e37 332c 2d33 3133 2e36  48 211.73,-313.6\n+00006200: 3720 3136 342e 3434 2c2d 3438 312e 3620  7 164.44,-481.6 \n+00006210: 3137 322c 2d35 3435 2e38 3320 3138 352e  172,-545.83 185.\n+00006220: 3433 2c2d 3635 392e 3935 2031 3530 2e31  43,-659.95 150.1\n+00006230: 322c 2d37 3136 2e37 2032 3332 2c2d 3739  2,-716.7 232,-79\n+00006240: 372e 3331 2032 3535 2e37 332c 2d38 3230  7.31 255.73,-820\n+00006250: 2e36 3820 3334 352e 382c 2d38 3334 2e35  .68 345.8,-834.5\n+00006260: 2034 3032 2e34 372c 2d38 3431 2e30 3622   402.47,-841.06\"\n+00006270: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00006280: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n+00006290: 6564 2220 706f 696e 7473 3d22 3430 322e  ed\" points=\"402.\n+000062a0: 3331 2c2d 3834 342e 3536 2034 3132 2e36  31,-844.56 412.6\n+000062b0: 342c 2d38 3432 2e32 2034 3033 2e31 2c2d  4,-842.2 403.1,-\n+000062c0: 3833 372e 3620 3430 322e 3331 2c2d 3834  837.6 402.31,-84\n+000062d0: 342e 3536 222f 3e0a 3c2f 673e 0a3c 212d  4.56\"/>.</g>.<!-\n+000062e0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+000062f0: 6d61 6373 5f6c 6973 7465 645f 666f 7263  macs_listed_forc\n+00006300: 6573 2623 3435 3b26 6774 3b6d 6f64 756c  es&#45;&gt;modul\n+00006310: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+00006320: 7479 7065 7320 2d2d 3e0a 3c67 2069 643d  types -->.<g id=\n+00006330: 2265 6467 6533 3422 2063 6c61 7373 3d22  \"edge34\" class=\"\n+00006340: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00006350: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00006360: 5f6c 6973 7465 645f 666f 7263 6573 2623  _listed_forces&#\n+00006370: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00006380: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n+00006390: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820  s</title>.<path \n+000063a0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+000063b0: 6b65 3d22 7265 6422 2064 3d22 4d34 3337  ke=\"red\" d=\"M437\n+000063c0: 2e32 312c 2d32 3230 2e35 3843 3538 352e  .21,-220.58C585.\n+000063d0: 3335 2c2d 3232 352e 3335 2031 3031 382e  35,-225.35 1018.\n+000063e0: 3936 2c2d 3234 312e 3233 2031 3135 382c  96,-241.23 1158,\n+000063f0: 2d32 3637 2e34 3820 3132 3437 2e39 2c2d  -267.48 1247.9,-\n+00006400: 3238 342e 3435 2031 3237 362e 3838 2c2d  284.45 1276.88,-\n+00006410: 3238 312e 3133 2031 3335 342c 2d33 3330  281.13 1354,-330\n+00006420: 2e33 3520 3133 3937 2e39 362c 2d33 3538  .35 1397.96,-358\n+00006430: 2e34 2031 3437 352c 2d34 3739 2e32 3520  .4 1475,-479.25 \n+00006440: 3134 3735 2c2d 3533 312e 3420 3134 3735  1475,-531.4 1475\n+00006450: 2c2d 3539 362e 3237 2031 3437 352c 2d35  ,-596.27 1475,-5\n+00006460: 3936 2e32 3720 3134 3735 2c2d 3539 362e  96.27 1475,-596.\n+00006470: 3237 2031 3437 352c 2d36 3739 2e36 3820  27 1475,-679.68 \n+00006480: 3134 3935 2c2d 3639 392e 3436 2031 3439  1495,-699.46 149\n+00006490: 352c 2d37 3832 2e38 3820 3134 3935 2c2d  5,-782.88 1495,-\n+000064a0: 3931 302e 3632 2031 3439 352c 2d39 3130  910.62 1495,-910\n+000064b0: 2e36 3220 3134 3935 2c2d 3931 302e 3632  .62 1495,-910.62\n+000064c0: 2031 3439 352c 2d39 3530 2e34 3220 3134   1495,-950.42 14\n+000064d0: 3639 2e35 362c 2d39 3930 2e38 3520 3134  69.56,-990.85 14\n+000064e0: 3531 2e38 312c 2d31 3031 342e 3232 222f  51.81,-1014.22\"/\n+000064f0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00006500: 2272 6564 2220 7374 726f 6b65 3d22 7265  \"red\" stroke=\"re\n+00006510: 6422 2070 6f69 6e74 733d 2231 3434 382e  d\" points=\"1448.\n+00006520: 3838 2c2d 3130 3132 2e32 3820 3134 3435  88,-1012.28 1445\n+00006530: 2e34 352c 2d31 3032 322e 3320 3134 3534  .45,-1022.3 1454\n+00006540: 2e33 382c 2d31 3031 362e 3631 2031 3434  .38,-1016.61 144\n+00006550: 382e 3838 2c2d 3130 3132 2e32 3822 2f3e  8.88,-1012.28\"/>\n+00006560: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+00006570: 655f 7372 635f 6772 6f6d 6163 735f 6c69  e_src_gromacs_li\n+00006580: 7374 6564 5f66 6f72 6365 7326 2334 353b  sted_forces&#45;\n+00006590: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+000065a0: 726f 6d61 6373 5f67 7075 5f75 7469 6c73  romacs_gpu_utils\n+000065b0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+000065c0: 3336 2220 636c 6173 733d 2265 6467 6522  36\" class=\"edge\"\n+000065d0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+000065e0: 7372 635f 6772 6f6d 6163 735f 6c69 7374  src_gromacs_list\n+000065f0: 6564 5f66 6f72 6365 7326 2334 353b 2667  ed_forces&#45;&g\n+00006600: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00006610: 6d61 6373 5f67 7075 5f75 7469 6c73 3c2f  macs_gpu_utils</\n+00006620: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00006630: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00006640: 2272 6564 2220 643d 224d 3338 392e 3934  \"red\" d=\"M389.94\n+00006650: 2c2d 3233 312e 3536 4333 3939 2e32 372c  ,-231.56C399.27,\n+00006660: 2d32 3730 2e32 2034 3330 2e31 382c 2d33  -270.2 430.18,-3\n+00006670: 3930 2e35 3420 3437 342c 2d34 3832 2e39  90.54 474,-482.9\n+00006680: 3620 3531 302e 3531 2c2d 3535 392e 3937  6 510.51,-559.97\n+00006690: 2035 3334 2e35 392c 2d35 3730 2e37 3820   534.59,-570.78 \n+000066a0: 3537 372c 2d36 3434 2e37 2036 3030 2e31  577,-644.7 600.1\n+000066b0: 392c 2d36 3835 2e31 3220 3632 342e 3432  9,-685.12 624.42\n+000066c0: 2c2d 3733 332e 3932 2036 3337 2e37 322c  ,-733.92 637.72,\n+000066d0: 2d37 3631 2e33 3822 2f3e 0a3c 706f 6c79  -761.38\"/>.<poly\n+000066e0: 676f 6e20 6669 6c6c 3d22 7265 6422 2073  gon fill=\"red\" s\n+000066f0: 7472 6f6b 653d 2272 6564 2220 706f 696e  troke=\"red\" poin\n+00006700: 7473 3d22 3633 342e 3631 2c2d 3736 322e  ts=\"634.61,-762.\n+00006710: 3939 2036 3432 2e31 312c 2d37 3730 2e34  99 642.11,-770.4\n+00006720: 3720 3634 302e 3932 2c2d 3735 392e 3935  7 640.92,-759.95\n+00006730: 2036 3334 2e36 312c 2d37 3632 2e39 3922   634.61,-762.99\"\n+00006740: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00006750: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00006760: 6c69 7374 6564 5f66 6f72 6365 7326 2334  listed_forces&#4\n+00006770: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00006780: 5f67 726f 6d61 6373 5f74 6162 6c65 7320  _gromacs_tables \n+00006790: 2d2d 3e0a 3c67 2069 643d 2265 6467 6533  -->.<g id=\"edge3\n+000067a0: 3522 2063 6c61 7373 3d22 6564 6765 223e  5\" class=\"edge\">\n+000067b0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+000067c0: 7263 5f67 726f 6d61 6373 5f6c 6973 7465  rc_gromacs_liste\n+000067d0: 645f 666f 7263 6573 2623 3435 3b26 6774  d_forces&#45;&gt\n+000067e0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+000067f0: 6163 735f 7461 626c 6573 3c2f 7469 746c  acs_tables</titl\n+00006800: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+00006810: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n+00006820: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n+00006830: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n+00006840: 4d34 3335 2e39 342c 2d32 3134 2e31 3543  M435.94,-214.15C\n+00006850: 3631 322e 3431 2c2d 3230 332e 3731 2031  612.41,-203.71 1\n+00006860: 3231 342e 3139 2c2d 3136 382e 3131 2031  214.19,-168.11 1\n+00006870: 3337 352e 3738 2c2d 3135 382e 3535 222f  375.78,-158.55\"/\n+00006880: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00006890: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+000068a0: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n+000068b0: 733d 2231 3337 362e 3434 2c2d 3136 322e  s=\"1376.44,-162.\n+000068c0: 3032 2031 3338 362e 3231 2c2d 3135 372e  02 1386.21,-157.\n+000068d0: 3934 2031 3337 362e 3033 2c2d 3135 352e  94 1376.03,-155.\n+000068e0: 3033 2031 3337 362e 3434 2c2d 3136 322e  03 1376.44,-162.\n+000068f0: 3032 222f 3e0a 3c2f 673e 0a3c 212d 2d20  02\"/>.</g>.<!-- \n+00006900: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00006910: 6373 5f6c 6973 7465 645f 666f 7263 6573  cs_listed_forces\n+00006920: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00006930: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n+00006940: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467  b -->.<g id=\"edg\n+00006950: 6533 3822 2063 6c61 7373 3d22 6564 6765  e38\" class=\"edge\n+00006960: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00006970: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973  _src_gromacs_lis\n+00006980: 7465 645f 666f 7263 6573 2623 3435 3b26  ted_forces&#45;&\n+00006990: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+000069a0: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974  omacs_mdlib</tit\n+000069b0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+000069c0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n+000069d0: 6662 6662 6622 2064 3d22 4d34 3334 2e39  fbfbf\" d=\"M434.9\n+000069e0: 362c 2d32 3232 2e37 3443 3537 312e 3535  6,-222.74C571.55\n+000069f0: 2c2d 3233 332e 3720 3936 302e 322c 2d32  ,-233.7 960.2,-2\n+00006a00: 3635 2e39 3320 3130 3833 2e32 342c 2d32  65.93 1083.24,-2\n+00006a10: 3736 2e35 3122 2f3e 0a3c 706f 6c79 676f  76.51\"/>.<polygo\n+00006a20: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n+00006a30: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+00006a40: 2220 706f 696e 7473 3d22 3130 3833 2e30  \" points=\"1083.0\n+00006a50: 342c 2d32 3830 2031 3039 332e 3331 2c2d  4,-280 1093.31,-\n+00006a60: 3237 372e 3338 2031 3038 332e 3635 2c2d  277.38 1083.65,-\n+00006a70: 3237 332e 3033 2031 3038 332e 3034 2c2d  273.03 1083.04,-\n+00006a80: 3238 3022 2f3e 0a3c 2f67 3e0a 3c21 2d2d  280\"/>.</g>.<!--\n+00006a90: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00006aa0: 6163 735f 6d64 7275 6e75 7469 6c69 7479  acs_mdrunutility\n+00006ab0: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465   -->.<g id=\"node\n+00006ac0: 3236 2220 636c 6173 733d 226e 6f64 6522  26\" class=\"node\"\n+00006ad0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00006ae0: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n+00006af0: 6e75 7469 6c69 7479 3c2f 7469 746c 653e  nutility</title>\n+00006b00: 0a3c 6720 6964 3d22 615f 6e6f 6465 3236  .<g id=\"a_node26\n+00006b10: 223e 3c61 2078 6c69 6e6b 3a68 7265 663d  \"><a xlink:href=\n+00006b20: 2267 726f 7570 5f5f 6d6f 6475 6c65 5f5f  \"group__module__\n+00006b30: 6d64 7275 6e75 7469 6c69 7479 2e78 6874  mdrunutility.xht\n+00006b40: 6d6c 2220 7461 7267 6574 3d22 5f74 6f70  ml\" target=\"_top\n+00006b50: 2220 786c 696e 6b3a 7469 746c 653d 226d  \" xlink:title=\"m\n+00006b60: 6472 756e 7574 696c 6974 7922 3e0a 3c65  drunutility\">.<e\n+00006b70: 6c6c 6970 7365 2066 696c 6c3d 2223 6535  llipse fill=\"#e5\n+00006b80: 6363 6666 2220 7374 726f 6b65 3d22 626c  ccff\" stroke=\"bl\n+00006b90: 6163 6b22 2063 783d 2231 3038 3122 2063  ack\" cx=\"1081\" c\n+00006ba0: 793d 222d 3135 352e 3138 2220 7278 3d22  y=\"-155.18\" rx=\"\n+00006bb0: 3437 2e32 3522 2072 793d 2231 332e 3337  47.25\" ry=\"13.37\n+00006bc0: 222f 3e0a 3c74 6578 7420 7465 7874 2d61  \"/>.<text text-a\n+00006bd0: 6e63 686f 723d 226d 6964 646c 6522 2078  nchor=\"middle\" x\n+00006be0: 3d22 3130 3831 2220 793d 222d 3135 322e  =\"1081\" y=\"-152.\n+00006bf0: 3638 2220 666f 6e74 2d66 616d 696c 793d  68\" font-family=\n+00006c00: 2246 7265 6553 616e 7322 2066 6f6e 742d  \"FreeSans\" font-\n+00006c10: 7369 7a65 3d22 3130 2e30 3022 3e6d 6472  size=\"10.00\">mdr\n+00006c20: 756e 7574 696c 6974 793c 2f74 6578 743e  unutility</text>\n+00006c30: 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a  .</a>.</g>.</g>.\n+00006c40: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00006c50: 6772 6f6d 6163 735f 6c69 7374 6564 5f66  gromacs_listed_f\n+00006c60: 6f72 6365 7326 2334 353b 2667 743b 6d6f  orces&#45;&gt;mo\n+00006c70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00006c80: 5f6d 6472 756e 7574 696c 6974 7920 2d2d  _mdrunutility --\n+00006c90: 3e0a 3c67 2069 643d 2265 6467 6533 3322  >.<g id=\"edge33\"\n+00006ca0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00006cb0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00006cc0: 5f67 726f 6d61 6373 5f6c 6973 7465 645f  _gromacs_listed_\n+00006cd0: 666f 7263 6573 2623 3435 3b26 6774 3b6d  forces&#45;&gt;m\n+00006ce0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00006cf0: 735f 6d64 7275 6e75 7469 6c69 7479 3c2f  s_mdrunutility</\n+00006d00: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00006d10: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00006d20: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+00006d30: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+00006d40: 2064 3d22 4d34 3335 2e36 2c2d 3231 332e   d=\"M435.6,-213.\n+00006d50: 3933 4335 3337 2e36 392c 2d32 3037 2e32  93C537.69,-207.2\n+00006d60: 3220 3738 312e 3837 2c2d 3139 302e 3231  2 781.87,-190.21\n+00006d70: 2039 3836 2c2d 3136 382e 3631 2031 3030   986,-168.61 100\n+00006d80: 302e 3234 2c2d 3136 372e 3120 3130 3135  0.24,-167.1 1015\n+00006d90: 2e36 352c 2d31 3635 2e32 2031 3032 392e  .65,-165.2 1029.\n+00006da0: 3833 2c2d 3136 332e 3335 222f 3e0a 3c70  83,-163.35\"/>.<p\n+00006db0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n+00006dc0: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n+00006dd0: 3832 6663 6322 2070 6f69 6e74 733d 2231  82fcc\" points=\"1\n+00006de0: 3033 302e 3435 2c2d 3136 362e 3739 2031  030.45,-166.79 1\n+00006df0: 3033 392e 392c 2d31 3632 2e30 3120 3130  039.9,-162.01 10\n+00006e00: 3239 2e35 332c 2d31 3539 2e38 3520 3130  29.53,-159.85 10\n+00006e10: 3330 2e34 352c 2d31 3636 2e37 3922 2f3e  30.45,-166.79\"/>\n+00006e20: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+00006e30: 655f 7372 635f 6772 6f6d 6163 735f 6c69  e_src_gromacs_li\n+00006e40: 7374 6564 5f66 6f72 6365 7326 2334 353b  sted_forces&#45;\n+00006e50: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00006e60: 726f 6d61 6373 5f64 6f6d 6465 6320 2d2d  romacs_domdec --\n+00006e70: 3e0a 3c67 2069 643d 2265 6467 6533 3122  >.<g id=\"edge31\"\n+00006e80: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00006e90: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00006ea0: 5f67 726f 6d61 6373 5f6c 6973 7465 645f  _gromacs_listed_\n+00006eb0: 666f 7263 6573 2623 3435 3b26 6774 3b6d  forces&#45;&gt;m\n+00006ec0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00006ed0: 735f 646f 6d64 6563 3c2f 7469 746c 653e  s_domdec</title>\n+00006ee0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+00006ef0: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n+00006f00: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n+00006f10: 7272 6179 3d22 352c 3222 2064 3d22 4d33  rray=\"5,2\" d=\"M3\n+00006f20: 3535 2e32 382c 2d32 3238 2e36 3143 3333  55.28,-228.61C33\n+00006f30: 362e 3032 2c2d 3233 352e 3734 2033 3133  6.02,-235.74 313\n+00006f40: 2e30 392c 2d32 3437 2e37 3520 3330 312c  .09,-247.75 301,\n+00006f50: 2d32 3637 2e34 3820 3236 312e 3132 2c2d  -267.48 261.12,-\n+00006f60: 3333 322e 3538 2032 3835 2e31 352c 2d35  332.58 285.15,-5\n+00006f70: 3536 2e36 3520 3334 312c 2d36 3038 2e37  56.65 341,-608.7\n+00006f80: 2033 3632 2e35 392c 2d36 3238 2e38 3320   362.59,-628.83 \n+00006f90: 3433 392e 3634 2c2d 3634 332e 3135 2034  439.64,-643.15 4\n+00006fa0: 3839 2e31 342c 2d36 3530 2e37 3822 2f3e  89.14,-650.78\"/>\n+00006fb0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00006fc0: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n+00006fd0: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n+00006fe0: 3d22 3438 382e 3834 2c2d 3635 342e 3237  =\"488.84,-654.27\n+00006ff0: 2034 3939 2e32 352c 2d36 3532 2e33 2034   499.25,-652.3 4\n+00007000: 3839 2e38 382c 2d36 3437 2e33 3520 3438  89.88,-647.35 48\n+00007010: 382e 3834 2c2d 3635 342e 3237 222f 3e0a  8.84,-654.27\"/>.\n+00007020: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+00007030: 5f73 7263 5f67 726f 6d61 6373 5f65 6e65  _src_gromacs_ene\n+00007040: 7267 7961 6e61 6c79 7369 7320 2d2d 3e0a  rgyanalysis -->.\n+00007050: 3c67 2069 643d 226e 6f64 6531 3122 2063  <g id=\"node11\" c\n+00007060: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469  lass=\"node\">.<ti\n+00007070: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00007080: 726f 6d61 6373 5f65 6e65 7267 7961 6e61  romacs_energyana\n+00007090: 6c79 7369 733c 2f74 6974 6c65 3e0a 3c67  lysis</title>.<g\n+000070a0: 2069 643d 2261 5f6e 6f64 6531 3122 3e3c   id=\"a_node11\"><\n+000070b0: 6120 786c 696e 6b3a 6872 6566 3d22 6772  a xlink:href=\"gr\n+000070c0: 6f75 705f 5f6d 6f64 756c 655f 5f65 6e65  oup__module__ene\n+000070d0: 7267 7961 6e61 6c79 7369 732e 7868 746d  rgyanalysis.xhtm\n+000070e0: 6c22 2074 6172 6765 743d 225f 746f 7022  l\" target=\"_top\"\n+000070f0: 2078 6c69 6e6b 3a74 6974 6c65 3d22 656e   xlink:title=\"en\n+00007100: 6572 6779 616e 616c 7973 6973 223e 0a3c  ergyanalysis\">.<\n+00007110: 656c 6c69 7073 6520 6669 6c6c 3d22 2366  ellipse fill=\"#f\n+00007120: 6663 6363 6322 2073 7472 6f6b 653d 2262  fcccc\" stroke=\"b\n+00007130: 6c61 636b 2220 6378 3d22 3136 3131 2220  lack\" cx=\"1611\" \n+00007140: 6379 3d22 2d35 3935 2e32 3722 2072 783d  cy=\"-595.27\" rx=\n+00007150: 2235 362e 3634 2220 7279 3d22 3133 2e33  \"56.64\" ry=\"13.3\n+00007160: 3722 2f3e 0a3c 7465 7874 2074 6578 742d  7\"/>.<text text-\n+00007170: 616e 6368 6f72 3d22 6d69 6464 6c65 2220  anchor=\"middle\" \n+00007180: 783d 2231 3631 3122 2079 3d22 2d35 3932  x=\"1611\" y=\"-592\n+00007190: 2e37 3722 2066 6f6e 742d 6661 6d69 6c79  .77\" font-family\n+000071a0: 3d22 4672 6565 5361 6e73 2220 666f 6e74  =\"FreeSans\" font\n+000071b0: 2d73 697a 653d 2231 302e 3030 223e 656e  -size=\"10.00\">en\n+000071c0: 6572 6779 616e 616c 7973 6973 3c2f 7465  ergyanalysis</te\n+000071d0: 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f  xt>.</a>.</g>.</\n+000071e0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+000071f0: 7263 5f67 726f 6d61 6373 5f65 6e65 7267  rc_gromacs_energ\n+00007200: 7961 6e61 6c79 7369 7326 2334 353b 2667  yanalysis&#45;&g\n+00007210: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00007220: 6d61 6373 5f66 696c 6569 6f20 2d2d 3e0a  macs_fileio -->.\n+00007230: 3c67 2069 643d 2265 6467 6534 3122 2063  <g id=\"edge41\" c\n+00007240: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00007250: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00007260: 726f 6d61 6373 5f65 6e65 7267 7961 6e61  romacs_energyana\n+00007270: 6c79 7369 7326 2334 353b 2667 743b 6d6f  lysis&#45;&gt;mo\n+00007280: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00007290: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a  _fileio</title>.\n+000072a0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+000072b0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+000072c0: 6622 2064 3d22 4d31 3630 332e 352c 2d35  f\" d=\"M1603.5,-5\n+000072d0: 3831 2e38 3143 3135 3935 2e34 372c 2d35  81.81C1595.47,-5\n+000072e0: 3636 2e39 3320 3135 3834 2e35 392c 2d35  66.93 1584.59,-5\n+000072f0: 3431 2e32 3520 3135 3930 2c2d 3531 382e  41.25 1590,-518.\n+00007300: 3936 2031 3539 322e 3331 2c2d 3530 392e  96 1592.31,-509.\n+00007310: 3434 2031 3539 362e 3834 2c2d 3439 392e  44 1596.84,-499.\n+00007320: 3720 3136 3031 2e34 322c 2d34 3931 2e34  7 1601.42,-491.4\n+00007330: 3822 2f3e 0a3c 706f 6c79 676f 6e20 6669  8\"/>.<polygon fi\n+00007340: 6c6c 3d22 2362 6662 6662 6622 2073 7472  ll=\"#bfbfbf\" str\n+00007350: 6f6b 653d 2223 6266 6266 6266 2220 706f  oke=\"#bfbfbf\" po\n+00007360: 696e 7473 3d22 3136 3034 2e35 382c 2d34  ints=\"1604.58,-4\n+00007370: 3933 2e30 3120 3136 3036 2e36 382c 2d34  93.01 1606.68,-4\n+00007380: 3832 2e36 3220 3135 3938 2e35 362c 2d34  82.62 1598.56,-4\n+00007390: 3839 2e34 3320 3136 3034 2e35 382c 2d34  89.43 1604.58,-4\n+000073a0: 3933 2e30 3122 2f3e 0a3c 2f67 3e0a 3c21  93.01\"/>.</g>.<!\n+000073b0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+000073c0: 6f6d 6163 735f 656e 6572 6779 616e 616c  omacs_energyanal\n+000073d0: 7973 6973 2623 3435 3b26 6774 3b6d 6f64  ysis&#45;&gt;mod\n+000073e0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000073f0: 636f 6d6d 616e 646c 696e 6520 2d2d 3e0a  commandline -->.\n+00007400: 3c67 2069 643d 2265 6467 6534 3022 2063  <g id=\"edge40\" c\n+00007410: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00007420: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00007430: 726f 6d61 6373 5f65 6e65 7267 7961 6e61  romacs_energyana\n+00007440: 6c79 7369 7326 2334 353b 2667 743b 6d6f  lysis&#45;&gt;mo\n+00007450: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00007460: 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f 7469  _commandline</ti\n+00007470: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+00007480: 226e 6f6e 6522 2073 7472 6f6b 653d 2262  \"none\" stroke=\"b\n+00007490: 6c61 636b 2220 7374 726f 6b65 2d64 6173  lack\" stroke-das\n+000074a0: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n+000074b0: 4d31 3630 322e 3432 2c2d 3538 312e 3834  M1602.42,-581.84\n+000074c0: 4331 3537 392e 3232 2c2d 3534 382e 3035  C1579.22,-548.05\n+000074d0: 2031 3531 362e 3134 2c2d 3435 342e 3638   1516.14,-454.68\n+000074e0: 2031 3530 332c 2d34 3230 2e30 3920 3134   1503,-420.09 14\n+000074f0: 3538 2e34 342c 2d33 3032 2e37 3320 3135  58.44,-302.73 15\n+00007500: 3436 2e36 372c 2d32 3237 2e35 3120 3134  46.67,-227.51 14\n+00007510: 3535 2c2d 3134 312e 3734 2031 3434 372e  55,-141.74 1447.\n+00007520: 3637 2c2d 3133 342e 3838 2031 3137 322e  67,-134.88 1172.\n+00007530: 3838 2c2d 3130 392e 3520 3130 3530 2e31  88,-109.5 1050.1\n+00007540: 372c 2d39 382e 3437 222f 3e0a 3c70 6f6c  7,-98.47\"/>.<pol\n+00007550: 7967 6f6e 2066 696c 6c3d 2262 6c61 636b  ygon fill=\"black\n+00007560: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n+00007570: 2070 6f69 6e74 733d 2231 3035 302e 3436   points=\"1050.46\n+00007580: 2c2d 3934 2e39 3920 3130 3430 2e31 392c  ,-94.99 1040.19,\n+00007590: 2d39 372e 3538 2031 3034 392e 3833 2c2d  -97.58 1049.83,-\n+000075a0: 3130 312e 3936 2031 3035 302e 3436 2c2d  101.96 1050.46,-\n+000075b0: 3934 2e39 3922 2f3e 0a3c 2f67 3e0a 3c21  94.99\"/>.</g>.<!\n+000075c0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+000075d0: 6f6d 6163 735f 676d 7861 6e61 202d 2d3e  omacs_gmxana -->\n+000075e0: 0a3c 6720 6964 3d22 6e6f 6465 3333 2220  .<g id=\"node33\" \n+000075f0: 636c 6173 733d 226e 6f64 6522 3e0a 3c74  class=\"node\">.<t\n+00007600: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00007610: 6772 6f6d 6163 735f 676d 7861 6e61 3c2f  gromacs_gmxana</\n+00007620: 7469 746c 653e 0a3c 656c 6c69 7073 6520  title>.<ellipse \n+00007630: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n+00007640: 7472 6f6b 653d 2262 6c61 636b 2220 6378  troke=\"black\" cx\n+00007650: 3d22 3139 3834 2220 6379 3d22 2d31 3136  =\"1984\" cy=\"-116\n+00007660: 312e 3122 2072 783d 2233 352e 3231 2220  1.1\" rx=\"35.21\" \n+00007670: 7279 3d22 3133 2e33 3722 2f3e 0a3c 7465  ry=\"13.37\"/>.<te\n+00007680: 7874 2074 6578 742d 616e 6368 6f72 3d22  xt text-anchor=\"\n+00007690: 6d69 6464 6c65 2220 783d 2231 3938 3422  middle\" x=\"1984\"\n+000076a0: 2079 3d22 2d31 3135 382e 3622 2066 6f6e   y=\"-1158.6\" fon\n+000076b0: 742d 6661 6d69 6c79 3d22 4672 6565 5361  t-family=\"FreeSa\n+000076c0: 6e73 2220 666f 6e74 2d73 697a 653d 2231  ns\" font-size=\"1\n+000076d0: 302e 3030 223e 676d 7861 6e61 3c2f 7465  0.00\">gmxana</te\n+000076e0: 7874 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  xt>.</g>.<!-- mo\n+000076f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00007700: 5f65 6e65 7267 7961 6e61 6c79 7369 7326  _energyanalysis&\n+00007710: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00007720: 7263 5f67 726f 6d61 6373 5f67 6d78 616e  rc_gromacs_gmxan\n+00007730: 6120 2d2d 3e0a 3c67 2069 643d 2265 6467  a -->.<g id=\"edg\n+00007740: 6534 3322 2063 6c61 7373 3d22 6564 6765  e43\" class=\"edge\n+00007750: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00007760: 5f73 7263 5f67 726f 6d61 6373 5f65 6e65  _src_gromacs_ene\n+00007770: 7267 7961 6e61 6c79 7369 7326 2334 353b  rgyanalysis&#45;\n+00007780: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00007790: 726f 6d61 6373 5f67 6d78 616e 613c 2f74  romacs_gmxana</t\n+000077a0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+000077b0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+000077c0: 2332 6363 6332 3822 2073 7472 6f6b 652d  #2ccc28\" stroke-\n+000077d0: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+000077e0: 643d 224d 3136 3437 2e39 382c 2d36 3035  d=\"M1647.98,-605\n+000077f0: 2e35 3343 3137 3134 2e38 312c 2d36 3234  .53C1714.81,-624\n+00007800: 2e33 3320 3138 3535 2e31 372c 2d36 3733  .33 1855.17,-673\n+00007810: 2e36 3420 3139 3234 2c2d 3737 302e 3434  .64 1924,-770.44\n+00007820: 2031 3936 362e 3534 2c2d 3833 302e 3236   1966.54,-830.26\n+00007830: 2031 3937 392e 3931 2c2d 3130 3633 2e33   1979.91,-1063.3\n+00007840: 3820 3139 3833 2e31 332c 2d31 3133 372e  8 1983.13,-1137.\n+00007850: 3422 2f3e 0a3c 706f 6c79 676f 6e20 6669  4\"/>.<polygon fi\n+00007860: 6c6c 3d22 2332 6363 6332 3822 2073 7472  ll=\"#2ccc28\" str\n+00007870: 6f6b 653d 2223 3263 6363 3238 2220 706f  oke=\"#2ccc28\" po\n+00007880: 696e 7473 3d22 3139 3739 2e36 342c 2d31  ints=\"1979.64,-1\n+00007890: 3133 372e 3635 2031 3938 332e 3535 2c2d  137.65 1983.55,-\n+000078a0: 3131 3437 2e35 2031 3938 362e 3634 2c2d  1147.5 1986.64,-\n+000078b0: 3131 3337 2e33 3620 3139 3739 2e36 342c  1137.36 1979.64,\n+000078c0: 2d31 3133 372e 3635 222f 3e0a 3c2f 673e  -1137.65\"/>.</g>\n+000078d0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+000078e0: 5f67 726f 6d61 6373 5f73 7461 7469 7374  _gromacs_statist\n+000078f0: 6963 7320 2d2d 3e0a 3c67 2069 643d 226e  ics -->.<g id=\"n\n+00007900: 6f64 6534 3222 2063 6c61 7373 3d22 6e6f  ode42\" class=\"no\n+00007910: 6465 223e 0a3c 7469 746c 653e 6d6f 6475  de\">.<title>modu\n+00007920: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73  le_src_gromacs_s\n+00007930: 7461 7469 7374 6963 733c 2f74 6974 6c65  tatistics</title\n+00007940: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d  >.<ellipse fill=\n+00007950: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n+00007960: 3d22 626c 6163 6b22 2063 783d 2231 3736  =\"black\" cx=\"176\n+00007970: 3622 2063 793d 222d 3533 322e 3422 2072  6\" cy=\"-532.4\" r\n+00007980: 783d 2233 392e 3722 2072 793d 2231 332e  x=\"39.7\" ry=\"13.\n+00007990: 3337 222f 3e0a 3c74 6578 7420 7465 7874  37\"/>.<text text\n+000079a0: 2d61 6e63 686f 723d 226d 6964 646c 6522  -anchor=\"middle\"\n+000079b0: 2078 3d22 3137 3636 2220 793d 222d 3532   x=\"1766\" y=\"-52\n+000079c0: 392e 3922 2066 6f6e 742d 6661 6d69 6c79  9.9\" font-family\n+000079d0: 3d22 4672 6565 5361 6e73 2220 666f 6e74  =\"FreeSans\" font\n+000079e0: 2d73 697a 653d 2231 302e 3030 223e 7374  -size=\"10.00\">st\n+000079f0: 6174 6973 7469 6373 3c2f 7465 7874 3e0a  atistics</text>.\n+00007a00: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+00007a10: 5f73 7263 5f67 726f 6d61 6373 5f65 6e65  _src_gromacs_ene\n+00007a20: 7267 7961 6e61 6c79 7369 7326 2334 353b  rgyanalysis&#45;\n+00007a30: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00007a40: 726f 6d61 6373 5f73 7461 7469 7374 6963  romacs_statistic\n+00007a50: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467  s -->.<g id=\"edg\n+00007a60: 6534 3222 2063 6c61 7373 3d22 6564 6765  e42\" class=\"edge\n+00007a70: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00007a80: 5f73 7263 5f67 726f 6d61 6373 5f65 6e65  _src_gromacs_ene\n+00007a90: 7267 7961 6e61 6c79 7369 7326 2334 353b  rgyanalysis&#45;\n+00007aa0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00007ab0: 726f 6d61 6373 5f73 7461 7469 7374 6963  romacs_statistic\n+00007ac0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820  s</title>.<path \n+00007ad0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00007ae0: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n+00007af0: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n+00007b00: 2c32 2220 643d 224d 3136 3338 2e37 312c  ,2\" d=\"M1638.71,\n+00007b10: 2d35 3833 2e33 3843 3136 3634 2e38 382c  -583.38C1664.88,\n+00007b20: 2d35 3733 2e31 3120 3137 3034 2e31 392c  -573.11 1704.19,\n+00007b30: 2d35 3537 2e36 3720 3137 3332 2e32 2c2d  -557.67 1732.2,-\n+00007b40: 3534 362e 3637 222f 3e0a 3c70 6f6c 7967  546.67\"/>.<polyg\n+00007b50: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n+00007b60: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+00007b70: 6322 2070 6f69 6e74 733d 2231 3733 332e  c\" points=\"1733.\n+00007b80: 3536 2c2d 3534 392e 3839 2031 3734 312e  56,-549.89 1741.\n+00007b90: 3539 2c2d 3534 322e 3938 2031 3733 312c  59,-542.98 1731,\n+00007ba0: 2d35 3433 2e33 3820 3137 3333 2e35 362c  -543.38 1733.56,\n+00007bb0: 2d35 3439 2e38 3922 2f3e 0a3c 2f67 3e0a  -549.89\"/>.</g>.\n+00007bc0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00007bd0: 6772 6f6d 6163 735f 6573 7365 6e74 6961  gromacs_essentia\n+00007be0: 6c64 796e 616d 6963 7320 2d2d 3e0a 3c67  ldynamics -->.<g\n+00007bf0: 2069 643d 226e 6f64 6531 3222 2063 6c61   id=\"node12\" cla\n+00007c00: 7373 3d22 6e6f 6465 223e 0a3c 7469 746c  ss=\"node\">.<titl\n+00007c10: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+00007c20: 6d61 6373 5f65 7373 656e 7469 616c 6479  macs_essentialdy\n+00007c30: 6e61 6d69 6373 3c2f 7469 746c 653e 0a3c  namics</title>.<\n+00007c40: 656c 6c69 7073 6520 6669 6c6c 3d22 2362  ellipse fill=\"#b\n+00007c50: 6662 6662 6622 2073 7472 6f6b 653d 2262  fbfbf\" stroke=\"b\n+00007c60: 6c61 636b 2220 6378 3d22 3935 3322 2063  lack\" cx=\"953\" c\n+00007c70: 793d 222d 3231 382e 3035 2220 7278 3d22  y=\"-218.05\" rx=\"\n+00007c80: 3639 2e30 3922 2072 793d 2231 332e 3337  69.09\" ry=\"13.37\n+00007c90: 222f 3e0a 3c74 6578 7420 7465 7874 2d61  \"/>.<text text-a\n+00007ca0: 6e63 686f 723d 226d 6964 646c 6522 2078  nchor=\"middle\" x\n+00007cb0: 3d22 3935 3322 2079 3d22 2d32 3135 2e35  =\"953\" y=\"-215.5\n+00007cc0: 3522 2066 6f6e 742d 6661 6d69 6c79 3d22  5\" font-family=\"\n+00007cd0: 4672 6565 5361 6e73 2220 666f 6e74 2d73  FreeSans\" font-s\n+00007ce0: 697a 653d 2231 302e 3030 223e 6573 7365  ize=\"10.00\">esse\n+00007cf0: 6e74 6961 6c64 796e 616d 6963 733c 2f74  ntialdynamics</t\n+00007d00: 6578 743e 0a3c 2f67 3e0a 3c21 2d2d 206d  ext>.</g>.<!-- m\n+00007d10: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00007d20: 735f 6573 7365 6e74 6961 6c64 796e 616d  s_essentialdynam\n+00007d30: 6963 7326 2334 353b 2667 743b 6d6f 6475  ics&#45;&gt;modu\n+00007d40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+00007d50: 6d78 6c69 6220 2d2d 3e0a 3c67 2069 643d  mxlib -->.<g id=\n+00007d60: 2265 6467 6534 3722 2063 6c61 7373 3d22  \"edge47\" class=\"\n+00007d70: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00007d80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00007d90: 5f65 7373 656e 7469 616c 6479 6e61 6d69  _essentialdynami\n+00007da0: 6373 2623 3435 3b26 6774 3b6d 6f64 756c  cs&#45;&gt;modul\n+00007db0: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+00007dc0: 786c 6962 3c2f 7469 746c 653e 0a3c 7061  xlib</title>.<pa\n+00007dd0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+00007de0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+00007df0: 643d 224d 3930 372e 3632 2c2d 3232 382e  d=\"M907.62,-228.\n+00007e00: 3233 4338 3632 2e30 392c 2d32 3337 2e35  23C862.09,-237.5\n+00007e10: 3820 3739 302e 3031 2c2d 3235 322e 3736  8 790.01,-252.76\n+00007e20: 2037 3238 2c2d 3236 372e 3438 2037 3030   728,-267.48 700\n+00007e30: 2e39 372c 2d32 3733 2e39 2035 3036 2e38  .97,-273.9 506.8\n+00007e40: 372c 2d33 3132 2e30 3120 3438 362c 2d33  7,-312.01 486,-3\n+00007e50: 3330 2e33 3520 3336 372e 3934 2c2d 3433  30.35 367.94,-43\n+00007e60: 342e 3039 2033 3830 2e34 322c 2d34 3638  4.09 380.42,-468\n+00007e70: 2e30 3320 3431 302c 2d35 3435 2e38 3320  .03 410,-545.83 \n+00007e80: 3431 372e 3631 2c2d 3536 352e 3834 2034  417.61,-565.84 4\n+00007e90: 3331 2e30 392c 2d35 3633 2e34 3120 3434  31.09,-563.41 44\n+00007ea0: 322c 2d35 3831 2e38 3320 3436 332e 3537  2,-581.83 463.57\n+00007eb0: 2c2d 3631 382e 3237 2034 3537 2e35 2c2d  ,-618.27 457.5,-\n+00007ec0: 3633 322e 3537 2034 3734 2c2d 3637 312e  632.57 474,-671.\n+00007ed0: 3537 2034 3833 2e31 312c 2d36 3933 2e30  57 483.11,-693.0\n+00007ee0: 3920 3534 382e 3835 2c2d 3834 352e 3436  9 548.85,-845.46\n+00007ef0: 2035 3637 2c2d 3836 302e 3138 2036 3137   567,-860.18 617\n+00007f00: 2e32 342c 2d39 3030 2e39 3220 3636 332e  .24,-900.92 663.\n+00007f10: 3536 2c2d 3834 392e 3139 2037 3038 2c2d  56,-849.19 708,-\n+00007f20: 3839 362e 3138 2037 3535 2e34 392c 2d39  896.18 755.49,-9\n+00007f30: 3436 2e34 3120 3638 382e 352c 2d31 3030  46.41 688.5,-100\n+00007f40: 302e 3535 2037 3338 2c2d 3130 3438 2e37  0.55 738,-1048.7\n+00007f50: 3920 3737 312e 3835 2c2d 3130 3831 2e37  9 771.85,-1081.7\n+00007f60: 3820 3931 302e 3134 2c2d 3130 3932 2e34  8 910.14,-1092.4\n+00007f70: 3420 3938 302e 3838 2c2d 3130 3935 2e37  4 980.88,-1095.7\n+00007f80: 3822 2f3e 0a3c 706f 6c79 676f 6e20 6669  8\"/>.<polygon fi\n+00007f90: 6c6c 3d22 2362 6662 6662 6622 2073 7472  ll=\"#bfbfbf\" str\n+00007fa0: 6f6b 653d 2223 6266 6266 6266 2220 706f  oke=\"#bfbfbf\" po\n+00007fb0: 696e 7473 3d22 3938 312e 3038 2c2d 3130  ints=\"981.08,-10\n+00007fc0: 3939 2e32 3920 3939 312e 3232 2c2d 3130  99.29 991.22,-10\n+00007fd0: 3936 2e32 3320 3938 312e 3339 2c2d 3130  96.23 981.39,-10\n+00007fe0: 3932 2e33 2039 3831 2e30 382c 2d31 3039  92.3 981.08,-109\n+00007ff0: 392e 3239 222f 3e0a 3c2f 673e 0a3c 212d  9.29\"/>.</g>.<!-\n+00008000: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+00008010: 6d61 6373 5f65 7373 656e 7469 616c 6479  macs_essentialdy\n+00008020: 6e61 6d69 6373 2623 3435 3b26 6774 3b6d  namics&#45;&gt;m\n+00008030: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00008040: 735f 6d64 7479 7065 7320 2d2d 3e0a 3c67  s_mdtypes -->.<g\n+00008050: 2069 643d 2265 6467 6535 3022 2063 6c61   id=\"edge50\" cla\n+00008060: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+00008070: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+00008080: 6d61 6373 5f65 7373 656e 7469 616c 6479  macs_essentialdy\n+00008090: 6e61 6d69 6373 2623 3435 3b26 6774 3b6d  namics&#45;&gt;m\n+000080a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000080b0: 735f 6d64 7479 7065 733c 2f74 6974 6c65  s_mdtypes</title\n+000080c0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+000080d0: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n+000080e0: 6662 6622 2064 3d22 4d31 3031 382e 342c  fbf\" d=\"M1018.4,\n+000080f0: 2d32 3232 2e37 3543 3131 3332 2e39 332c  -222.75C1132.93,\n+00008100: 2d32 3239 2e37 3720 3133 3630 2e35 332c  -229.77 1360.53,\n+00008110: 2d32 3436 2e31 3920 3133 3930 2c2d 3236  -246.19 1390,-26\n+00008120: 372e 3438 2031 3435 302e 3439 2c2d 3331  7.48 1450.49,-31\n+00008130: 312e 3138 2031 3432 362e 332c 2d33 3533  1.18 1426.3,-353\n+00008140: 2e35 3120 3134 3630 2c2d 3432 302e 3039  .51 1460,-420.09\n+00008150: 2031 3436 382e 3237 2c2d 3433 362e 3432   1468.27,-436.42\n+00008160: 2031 3437 332e 3632 2c2d 3433 382e 3934   1473.62,-438.94\n+00008170: 2031 3438 302c 2d34 3536 2e30 3920 3135   1480,-456.09 15\n+00008180: 3030 2e39 2c2d 3531 322e 3234 2031 3533  00.9,-512.24 153\n+00008190: 352c 2d36 3630 2e31 2031 3533 352c 2d37  5,-660.1 1535,-7\n+000081a0: 3230 2e30 3120 3135 3335 2c2d 3931 302e  20.01 1535,-910.\n+000081b0: 3632 2031 3533 352c 2d39 3130 2e36 3220  62 1535,-910.62 \n+000081c0: 3135 3335 2c2d 3931 302e 3632 2031 3533  1535,-910.62 153\n+000081d0: 352c 2d39 3437 2e35 3220 3135 3233 2e32  5,-947.52 1523.2\n+000081e0: 392c 2d39 3537 2e32 3920 3135 3030 2c2d  9,-957.29 1500,-\n+000081f0: 3938 352e 3932 2031 3438 392e 3731 2c2d  985.92 1489.71,-\n+00008200: 3939 382e 3537 2031 3437 352e 3432 2c2d  998.57 1475.42,-\n+00008210: 3130 3039 2e36 3920 3134 3632 2e38 362c  1009.69 1462.86,\n+00008220: 2d31 3031 382e 3038 222f 3e0a 3c70 6f6c  -1018.08\"/>.<pol\n+00008230: 7967 6f6e 2066 696c 6c3d 2223 6266 6266  ygon fill=\"#bfbf\n+00008240: 6266 2220 7374 726f 6b65 3d22 2362 6662  bf\" stroke=\"#bfb\n+00008250: 6662 6622 2070 6f69 6e74 733d 2231 3436  fbf\" points=\"146\n+00008260: 302e 3633 2c2d 3130 3135 2e33 3520 3134  0.63,-1015.35 14\n+00008270: 3534 2e31 2c2d 3130 3233 2e36 3820 3134  54.1,-1023.68 14\n+00008280: 3634 2e34 312c 2d31 3032 312e 3234 2031  64.41,-1021.24 1\n+00008290: 3436 302e 3633 2c2d 3130 3135 2e33 3522  460.63,-1015.35\"\n+000082a0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+000082b0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000082c0: 6573 7365 6e74 6961 6c64 796e 616d 6963  essentialdynamic\n+000082d0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+000082e0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c  _src_gromacs_fil\n+000082f0: 6569 6f20 2d2d 3e0a 3c67 2069 643d 2265  eio -->.<g id=\"e\n+00008300: 6467 6534 3622 2063 6c61 7373 3d22 6564  dge46\" class=\"ed\n+00008310: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+00008320: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n+00008330: 7373 656e 7469 616c 6479 6e61 6d69 6373  ssentialdynamics\n+00008340: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00008350: 7372 635f 6772 6f6d 6163 735f 6669 6c65  src_gromacs_file\n+00008360: 696f 3c2f 7469 746c 653e 0a3c 7061 7468  io</title>.<path\n+00008370: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00008380: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n+00008390: 224d 3130 3139 2e30 322c 2d32 3232 2e31  \"M1019.02,-222.1\n+000083a0: 3343 3131 3733 2e39 372c 2d32 3239 2e36  3C1173.97,-229.6\n+000083b0: 3520 3135 3439 2e34 322c 2d32 3439 2e36  5 1549.42,-249.6\n+000083c0: 3320 3135 3730 2c2d 3236 372e 3438 2031  3 1570,-267.48 1\n+000083d0: 3632 312e 3936 2c2d 3331 322e 3535 2031  621.96,-312.55 1\n+000083e0: 3632 312e 3235 2c2d 3430 332e 3336 2031  621.25,-403.36 1\n+000083f0: 3631 372e 3638 2c2d 3434 352e 3736 222f  617.68,-445.76\"/\n+00008400: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00008410: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n+00008420: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n+00008430: 733d 2231 3631 342e 3138 2c2d 3434 352e  s=\"1614.18,-445.\n+00008440: 3620 3136 3136 2e36 392c 2d34 3535 2e39  6 1616.69,-455.9\n+00008450: 2031 3632 312e 3134 2c2d 3434 362e 3238   1621.14,-446.28\n+00008460: 2031 3631 342e 3138 2c2d 3434 352e 3622   1614.18,-445.6\"\n+00008470: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00008480: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00008490: 6573 7365 6e74 6961 6c64 796e 616d 6963  essentialdynamic\n+000084a0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+000084b0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c  _src_gromacs_mdl\n+000084c0: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564  ib -->.<g id=\"ed\n+000084d0: 6765 3438 2220 636c 6173 733d 2265 6467  ge48\" class=\"edg\n+000084e0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+000084f0: 655f 7372 635f 6772 6f6d 6163 735f 6573  e_src_gromacs_es\n+00008500: 7365 6e74 6961 6c64 796e 616d 6963 7326  sentialdynamics&\n+00008510: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00008520: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n+00008530: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00008540: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00008550: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n+00008560: 3938 372e 3834 2c2d 3232 392e 3735 4331  987.84,-229.75C1\n+00008570: 3031 382e 3638 2c2d 3234 302e 3236 2031  018.68,-240.26 1\n+00008580: 3036 322e 3936 2c2d 3235 362e 3237 2031  062.96,-256.27 1\n+00008590: 3039 312e 3934 2c2d 3236 372e 3336 222f  091.94,-267.36\"/\n+000085a0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+000085b0: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n+000085c0: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n+000085d0: 733d 2231 3039 302e 3931 2c2d 3237 302e  s=\"1090.91,-270.\n+000085e0: 3732 2031 3130 312e 352c 2d32 3731 2e30  72 1101.5,-271.0\n+000085f0: 3620 3130 3933 2e34 342c 2d32 3634 2e31  6 1093.44,-264.1\n+00008600: 3920 3130 3930 2e39 312c 2d32 3730 2e37  9 1090.91,-270.7\n+00008610: 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  2\"/>.</g>.<!-- m\n+00008620: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00008630: 735f 6573 7365 6e74 6961 6c64 796e 616d  s_essentialdynam\n+00008640: 6963 7326 2334 353b 2667 743b 6d6f 6475  ics&#45;&gt;modu\n+00008650: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00008660: 6472 756e 7574 696c 6974 7920 2d2d 3e0a  drunutility -->.\n+00008670: 3c67 2069 643d 2265 6467 6534 3922 2063  <g id=\"edge49\" c\n+00008680: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00008690: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+000086a0: 726f 6d61 6373 5f65 7373 656e 7469 616c  romacs_essential\n+000086b0: 6479 6e61 6d69 6373 2623 3435 3b26 6774  dynamics&#45;&gt\n+000086c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+000086d0: 6163 735f 6d64 7275 6e75 7469 6c69 7479  acs_mdrunutility\n+000086e0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+000086f0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00008700: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n+00008710: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+00008720: 3222 2064 3d22 4d39 3737 2e33 382c 2d32  2\" d=\"M977.38,-2\n+00008730: 3035 2e34 3543 3939 372e 3639 2c2d 3139  05.45C997.69,-19\n+00008740: 352e 3739 2031 3032 362e 3737 2c2d 3138  5.79 1026.77,-18\n+00008750: 312e 3936 2031 3034 382e 3936 2c2d 3137  1.96 1048.96,-17\n+00008760: 312e 3431 222f 3e0a 3c70 6f6c 7967 6f6e  1.41\"/>.<polygon\n+00008770: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n+00008780: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00008790: 2070 6f69 6e74 733d 2231 3035 302e 3438   points=\"1050.48\n+000087a0: 2c2d 3137 342e 3537 2031 3035 382e 3031  ,-174.57 1058.01\n+000087b0: 2c2d 3136 372e 3131 2031 3034 372e 3437  ,-167.11 1047.47\n+000087c0: 2c2d 3136 382e 3234 2031 3035 302e 3438  ,-168.24 1050.48\n+000087d0: 2c2d 3137 342e 3537 222f 3e0a 3c2f 673e  ,-174.57\"/>.</g>\n+000087e0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+000087f0: 5f67 726f 6d61 6373 5f65 7373 656e 7469  _gromacs_essenti\n+00008800: 616c 6479 6e61 6d69 6373 2623 3435 3b26  aldynamics&#45;&\n+00008810: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00008820: 6f6d 6163 735f 636f 6d6d 616e 646c 696e  omacs_commandlin\n+00008830: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467  e -->.<g id=\"edg\n+00008840: 6534 3422 2063 6c61 7373 3d22 6564 6765  e44\" class=\"edge\n+00008850: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00008860: 5f73 7263 5f67 726f 6d61 6373 5f65 7373  _src_gromacs_ess\n+00008870: 656e 7469 616c 6479 6e61 6d69 6373 2623  entialdynamics&#\n+00008880: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00008890: 635f 6772 6f6d 6163 735f 636f 6d6d 616e  c_gromacs_comman\n+000088a0: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70  dline</title>.<p\n+000088b0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+000088c0: 7374 726f 6b65 3d22 626c 6163 6b22 2073  stroke=\"black\" s\n+000088d0: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n+000088e0: 2235 2c32 2220 643d 224d 3933 382e 3633  \"5,2\" d=\"M938.63\n+000088f0: 2c2d 3230 342e 3637 4339 3233 2e30 322c  ,-204.67C923.02,\n+00008900: 2d31 3839 2e36 3420 3930 312e 3833 2c2d  -189.64 901.83,-\n+00008910: 3136 332e 3631 2039 3134 2c2d 3134 312e  163.61 914,-141.\n+00008920: 3734 2039 3232 2e34 372c 2d31 3236 2e35  74 922.47,-126.5\n+00008930: 3120 3933 372e 3933 2c2d 3131 352e 3436  1 937.93,-115.46\n+00008940: 2039 3532 2e38 362c 2d31 3037 2e37 3922   952.86,-107.79\"\n+00008950: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00008960: 3d22 626c 6163 6b22 2073 7472 6f6b 653d  =\"black\" stroke=\n+00008970: 2262 6c61 636b 2220 706f 696e 7473 3d22  \"black\" points=\"\n+00008980: 3935 342e 3439 2c2d 3131 302e 3839 2039  954.49,-110.89 9\n+00008990: 3632 2e30 332c 2d31 3033 2e34 3420 3935  62.03,-103.44 95\n+000089a0: 312e 3439 2c2d 3130 342e 3537 2039 3534  1.49,-104.57 954\n+000089b0: 2e34 392c 2d31 3130 2e38 3922 2f3e 0a3c  .49,-110.89\"/>.<\n+000089c0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+000089d0: 7372 635f 6772 6f6d 6163 735f 6573 7365  src_gromacs_esse\n+000089e0: 6e74 6961 6c64 796e 616d 6963 7326 2334  ntialdynamics&#4\n+000089f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00008a00: 5f67 726f 6d61 6373 5f64 6f6d 6465 6320  _gromacs_domdec \n+00008a10: 2d2d 3e0a 3c67 2069 643d 2265 6467 6534  -->.<g id=\"edge4\n+00008a20: 3522 2063 6c61 7373 3d22 6564 6765 223e  5\" class=\"edge\">\n+00008a30: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00008a40: 7263 5f67 726f 6d61 6373 5f65 7373 656e  rc_gromacs_essen\n+00008a50: 7469 616c 6479 6e61 6d69 6373 2623 3435  tialdynamics&#45\n+00008a60: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00008a70: 6772 6f6d 6163 735f 646f 6d64 6563 3c2f  gromacs_domdec</\n+00008a80: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00008a90: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00008aa0: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+00008ab0: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+00008ac0: 2064 3d22 4d38 3935 2e39 332c 2d32 3235   d=\"M895.93,-225\n+00008ad0: 2e37 3243 3833 352e 3033 2c2d 3233 332e  .72C835.03,-233.\n+00008ae0: 3433 2037 3335 2e39 362c 2d32 3437 2e36  43 735.96,-247.6\n+00008af0: 3420 3635 322c 2d32 3637 2e34 3820 3536  4 652,-267.48 56\n+00008b00: 312e 3332 2c2d 3238 382e 3931 2035 3334  1.32,-288.91 534\n+00008b10: 2e34 322c 2d32 3836 2e38 3820 3435 322c  .42,-286.88 452,\n+00008b20: 2d33 3330 2e33 3520 3431 322c 2d33 3531  -330.35 412,-351\n+00008b30: 2e34 3520 3339 312e 3737 2c2d 3335 322e  .45 391.77,-352.\n+00008b40: 3535 2033 3732 2c2d 3339 332e 3232 2033  55 372,-393.22 3\n+00008b50: 3234 2e36 352c 2d34 3930 2e36 3620 3435  24.65,-490.66 45\n+00008b60: 312e 3839 2c2d 3539 382e 3820 3530 372e  1.89,-598.8 507.\n+00008b70: 3438 2c2d 3633 392e 3937 222f 3e0a 3c70  48,-639.97\"/>.<p\n+00008b80: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n+00008b90: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n+00008ba0: 3832 6663 6322 2070 6f69 6e74 733d 2235  82fcc\" points=\"5\n+00008bb0: 3035 2e36 312c 2d36 3432 2e39 3320 3531  05.61,-642.93 51\n+00008bc0: 352e 3735 2c2d 3634 352e 3939 2035 3039  5.75,-645.99 509\n+00008bd0: 2e37 332c 2d36 3337 2e32 3720 3530 352e  .73,-637.27 505.\n+00008be0: 3631 2c2d 3634 322e 3933 222f 3e0a 3c2f  61,-642.93\"/>.</\n+00008bf0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00008c00: 7263 5f67 726f 6d61 6373 5f66 696c 6569  rc_gromacs_filei\n+00008c10: 6f26 2334 353b 2667 743b 6d6f 6475 6c65  o&#45;&gt;module\n+00008c20: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n+00008c30: 6c69 6220 2d2d 3e0a 3c67 2069 643d 2265  lib -->.<g id=\"e\n+00008c40: 6467 6535 3422 2063 6c61 7373 3d22 6564  dge54\" class=\"ed\n+00008c50: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+00008c60: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66  le_src_gromacs_f\n+00008c70: 696c 6569 6f26 2334 353b 2667 743b 6d6f  ileio&#45;&gt;mo\n+00008c80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00008c90: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a  _gmxlib</title>.\n+00008ca0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00008cb0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+00008cc0: 6622 2064 3d22 4d31 3630 362e 3439 2c2d  f\" d=\"M1606.49,-\n+00008cd0: 3438 322e 3543 3135 3533 2e30 372c 2d35  482.5C1553.07,-5\n+00008ce0: 3537 2e34 2031 3236 322e 3436 2c2d 3936  57.4 1262.46,-96\n+00008cf0: 302e 3934 2031 3134 302c 2d31 3034 382e  0.94 1140,-1048.\n+00008d00: 3739 2031 3131 352e 3139 2c2d 3130 3636  79 1115.19,-1066\n+00008d10: 2e35 3920 3130 3832 2e38 372c 2d31 3037  .59 1082.87,-107\n+00008d20: 392e 3333 2031 3035 382e 3439 2c2d 3130  9.33 1058.49,-10\n+00008d30: 3837 2e32 3622 2f3e 0a3c 706f 6c79 676f  87.26\"/>.<polygo\n+00008d40: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n+00008d50: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+00008d60: 2220 706f 696e 7473 3d22 3130 3537 2e34  \" points=\"1057.4\n+00008d70: 2c2d 3130 3833 2e39 3420 3130 3438 2e39  ,-1083.94 1048.9\n+00008d80: 2c2d 3130 3930 2e32 3720 3130 3539 2e34  ,-1090.27 1059.4\n+00008d90: 392c 2d31 3039 302e 3631 2031 3035 372e  9,-1090.61 1057.\n+00008da0: 342c 2d31 3038 332e 3934 222f 3e0a 3c2f  4,-1083.94\"/>.</\n+00008db0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00008dc0: 7263 5f67 726f 6d61 6373 5f66 696c 6569  rc_gromacs_filei\n+00008dd0: 6f26 2334 353b 2667 743b 6d6f 6475 6c65  o&#45;&gt;module\n+00008de0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474  _src_gromacs_mdt\n+00008df0: 7970 6573 202d 2d3e 0a3c 6720 6964 3d22  ypes -->.<g id=\"\n+00008e00: 6564 6765 3533 2220 636c 6173 733d 2265  edge53\" class=\"e\n+00008e10: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00008e20: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00008e30: 6669 6c65 696f 2623 3435 3b26 6774 3b6d  fileio&#45;&gt;m\n+00008e40: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00008e50: 735f 6d64 7479 7065 733c 2f74 6974 6c65  s_mdtypes</title\n+00008e60: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+00008e70: 6e65 2220 7374 726f 6b65 3d22 7265 6422  ne\" stroke=\"red\"\n+00008e80: 2064 3d22 4d31 3631 342e 3937 2c2d 3438   d=\"M1614.97,-48\n+00008e90: 332e 3032 4331 3631 302e 3739 2c2d 3439  3.02C1610.79,-49\n+00008ea0: 382e 3835 2031 3630 322c 2d35 3236 2e34  8.85 1602,-526.4\n+00008eb0: 3220 3136 3134 2c2d 3534 352e 3833 2031  2 1614,-545.83 1\n+00008ec0: 3633 322e 3831 2c2d 3537 362e 3236 2031  632.81,-576.26 1\n+00008ed0: 3636 372e 3139 2c2d 3535 312e 3420 3136  667.19,-551.4 16\n+00008ee0: 3836 2c2d 3538 312e 3833 2031 3639 322e  86,-581.83 1692.\n+00008ef0: 3238 2c2d 3539 312e 3939 2031 3638 392e  28,-591.99 1689.\n+00008f00: 3233 2c2d 3539 372e 3220 3136 3836 2c2d  23,-597.2 1686,-\n+00008f10: 3630 382e 3720 3136 3830 2e39 322c 2d36  608.7 1680.92,-6\n+00008f20: 3236 2e37 3520 3136 3732 2e36 372c 2d36  26.75 1672.67,-6\n+00008f30: 3238 2e30 3720 3136 3634 2c2d 3634 342e  28.07 1664,-644.\n+00008f40: 3720 3136 3335 2e38 312c 2d36 3938 2e37  7 1635.81,-698.7\n+00008f50: 3920 3136 3236 2e39 312c 2d37 3132 2e31  9 1626.91,-712.1\n+00008f60: 3320 3136 3039 2c2d 3737 302e 3434 2031  3 1609,-770.44 1\n+00008f70: 3630 312e 3835 2c2d 3739 332e 3732 2031  601.85,-793.72 1\n+00008f80: 3538 342e 3534 2c2d 3936 372e 3138 2031  584.54,-967.18 1\n+00008f90: 3536 392c 2d39 3835 2e39 3220 3135 3437  569,-985.92 1547\n+00008fa0: 2e37 342c 2d31 3031 312e 3536 2031 3531  .74,-1011.56 151\n+00008fb0: 312e 3138 2c2d 3130 3233 2e36 3720 3134  1.18,-1023.67 14\n+00008fc0: 3831 2e35 2c2d 3130 3239 2e33 3722 2f3e  81.5,-1029.37\"/>\n+00008fd0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00008fe0: 7265 6422 2073 7472 6f6b 653d 2272 6564  red\" stroke=\"red\n+00008ff0: 2220 706f 696e 7473 3d22 3134 3830 2e35  \" points=\"1480.5\n+00009000: 382c 2d31 3032 352e 3937 2031 3437 312e  8,-1025.97 1471.\n+00009010: 3333 2c2d 3130 3331 2e31 3220 3134 3831  33,-1031.12 1481\n+00009020: 2e37 382c 2d31 3033 322e 3837 2031 3438  .78,-1032.87 148\n+00009030: 302e 3538 2c2d 3130 3235 2e39 3722 2f3e  0.58,-1025.97\"/>\n+00009040: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+00009050: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n+00009060: 6d70 6174 202d 2d3e 0a3c 6720 6964 3d22  mpat -->.<g id=\"\n+00009070: 6e6f 6465 3134 2220 636c 6173 733d 226e  node14\" class=\"n\n+00009080: 6f64 6522 3e0a 3c74 6974 6c65 3e6d 6f64  ode\">.<title>mod\n+00009090: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000090a0: 636f 6d70 6174 3c2f 7469 746c 653e 0a3c  compat</title>.<\n+000090b0: 656c 6c69 7073 6520 6669 6c6c 3d22 2362  ellipse fill=\"#b\n+000090c0: 6662 6662 6622 2073 7472 6f6b 653d 2262  fbfbf\" stroke=\"b\n+000090d0: 6c61 636b 2220 6378 3d22 3739 3122 2063  lack\" cx=\"791\" c\n+000090e0: 793d 222d 3231 382e 3035 2220 7278 3d22  y=\"-218.05\" rx=\"\n+000090f0: 3334 2e38 2220 7279 3d22 3133 2e33 3722  34.8\" ry=\"13.37\"\n+00009100: 2f3e 0a3c 7465 7874 2074 6578 742d 616e  />.<text text-an\n+00009110: 6368 6f72 3d22 6d69 6464 6c65 2220 783d  chor=\"middle\" x=\n+00009120: 2237 3931 2220 793d 222d 3231 352e 3535  \"791\" y=\"-215.55\n+00009130: 2220 666f 6e74 2d66 616d 696c 793d 2246  \" font-family=\"F\n+00009140: 7265 6553 616e 7322 2066 6f6e 742d 7369  reeSans\" font-si\n+00009150: 7a65 3d22 3130 2e30 3022 3e63 6f6d 7061  ze=\"10.00\">compa\n+00009160: 743c 2f74 6578 743e 0a3c 2f67 3e0a 3c21  t</text>.</g>.<!\n+00009170: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00009180: 6f6d 6163 735f 6669 6c65 696f 2623 3435  omacs_fileio&#45\n+00009190: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+000091a0: 6772 6f6d 6163 735f 636f 6d70 6174 202d  gromacs_compat -\n+000091b0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3537  ->.<g id=\"edge57\n+000091c0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+000091d0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+000091e0: 635f 6772 6f6d 6163 735f 6669 6c65 696f  c_gromacs_fileio\n+000091f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00009200: 7372 635f 6772 6f6d 6163 735f 636f 6d70  src_gromacs_comp\n+00009210: 6174 3c2f 7469 746c 653e 0a3c 7061 7468  at</title>.<path\n+00009220: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00009230: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n+00009240: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+00009250: 352c 3222 2064 3d22 4d31 3630 362e 3431  5,2\" d=\"M1606.41\n+00009260: 2c2d 3435 362e 3538 4331 3537 392e 3437  ,-456.58C1579.47\n+00009270: 2c2d 3432 302e 3220 3134 3932 2e33 312c  ,-420.2 1492.31,\n+00009280: 2d33 3130 2e36 3820 3133 3930 2c2d 3236  -310.68 1390,-26\n+00009290: 372e 3438 2031 3238 342e 3331 2c2d 3232  7.48 1284.31,-22\n+000092a0: 322e 3836 2039 3839 2e30 352c 2d32 3433  2.86 989.05,-243\n+000092b0: 2e38 3920 3837 352c 2d32 3331 2e34 3820  .89 875,-231.48 \n+000092c0: 3836 302e 3939 2c2d 3232 392e 3936 2038  860.99,-229.96 8\n+000092d0: 3435 2e37 322c 2d32 3237 2e38 3320 3833  45.72,-227.83 83\n+000092e0: 322e 3039 2c2d 3232 352e 3738 222f 3e0a  2.09,-225.78\"/>.\n+000092f0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+00009300: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n+00009310: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n+00009320: 2238 3332 2e34 362c 2d32 3232 2e32 3920  \"832.46,-222.29 \n+00009330: 3832 322e 3034 2c2d 3232 342e 3232 2038  822.04,-224.22 8\n+00009340: 3331 2e33 392c 2d32 3239 2e32 3120 3833  31.39,-229.21 83\n+00009350: 322e 3436 2c2d 3232 322e 3239 222f 3e0a  2.46,-222.29\"/>.\n+00009360: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+00009370: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64  _src_gromacs_mod\n+00009380: 756c 6172 7369 6d75 6c61 746f 7220 2d2d  ularsimulator --\n+00009390: 3e0a 3c67 2069 643d 226e 6f64 6531 3622  >.<g id=\"node16\"\n+000093a0: 2063 6c61 7373 3d22 6e6f 6465 223e 0a3c   class=\"node\">.<\n+000093b0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+000093c0: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172  _gromacs_modular\n+000093d0: 7369 6d75 6c61 746f 723c 2f74 6974 6c65  simulator</title\n+000093e0: 3e0a 3c67 2069 643d 2261 5f6e 6f64 6531  >.<g id=\"a_node1\n+000093f0: 3622 3e3c 6120 786c 696e 6b3a 6872 6566  6\"><a xlink:href\n+00009400: 3d22 6772 6f75 705f 5f6d 6f64 756c 655f  =\"group__module_\n+00009410: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f  _modularsimulato\n+00009420: 722e 7868 746d 6c22 2074 6172 6765 743d  r.xhtml\" target=\n+00009430: 225f 746f 7022 2078 6c69 6e6b 3a74 6974  \"_top\" xlink:tit\n+00009440: 6c65 3d22 6d6f 6475 6c61 7273 696d 756c  le=\"modularsimul\n+00009450: 6174 6f72 223e 0a3c 656c 6c69 7073 6520  ator\">.<ellipse \n+00009460: 6669 6c6c 3d22 2365 3563 6366 6622 2073  fill=\"#e5ccff\" s\n+00009470: 7472 6f6b 653d 2262 6c61 636b 2220 6378  troke=\"black\" cx\n+00009480: 3d22 3934 3122 2063 793d 222d 3430 362e  =\"941\" cy=\"-406.\n+00009490: 3636 2220 7278 3d22 3635 2e31 3122 2072  66\" rx=\"65.11\" r\n+000094a0: 793d 2231 332e 3337 222f 3e0a 3c74 6578  y=\"13.37\"/>.<tex\n+000094b0: 7420 7465 7874 2d61 6e63 686f 723d 226d  t text-anchor=\"m\n+000094c0: 6964 646c 6522 2078 3d22 3934 3122 2079  iddle\" x=\"941\" y\n+000094d0: 3d22 2d34 3034 2e31 3622 2066 6f6e 742d  =\"-404.16\" font-\n+000094e0: 6661 6d69 6c79 3d22 4672 6565 5361 6e73  family=\"FreeSans\n+000094f0: 2220 666f 6e74 2d73 697a 653d 2231 302e  \" font-size=\"10.\n+00009500: 3030 223e 6d6f 6475 6c61 7273 696d 756c  00\">modularsimul\n+00009510: 6174 6f72 3c2f 7465 7874 3e0a 3c2f 613e  ator</text>.</a>\n+00009520: 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d 2d20  .</g>.</g>.<!-- \n+00009530: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00009540: 6373 5f66 696c 6569 6f26 2334 353b 2667  cs_fileio&#45;&g\n+00009550: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00009560: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75  macs_modularsimu\n+00009570: 6c61 746f 7220 2d2d 3e0a 3c67 2069 643d  lator -->.<g id=\n+00009580: 2265 6467 6535 3622 2063 6c61 7373 3d22  \"edge56\" class=\"\n+00009590: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+000095a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000095b0: 5f66 696c 6569 6f26 2334 353b 2667 743b  _fileio&#45;&gt;\n+000095c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000095d0: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61  cs_modularsimula\n+000095e0: 746f 723c 2f74 6974 6c65 3e0a 3c70 6174  tor</title>.<pat\n+000095f0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00009600: 726f 6b65 3d22 7265 6422 2064 3d22 4d31  roke=\"red\" d=\"M1\n+00009610: 3538 382e 3732 2c2d 3436 362e 3339 4331  588.72,-466.39C1\n+00009620: 3439 312e 3834 2c2d 3435 382e 3038 2031  491.84,-458.08 1\n+00009630: 3135 332e 3735 2c2d 3432 372e 3539 2031  153.75,-427.59 1\n+00009640: 3030 382e 3239 2c2d 3431 342e 3133 222f  008.29,-414.13\"/\n+00009650: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00009660: 2272 6564 2220 7374 726f 6b65 3d22 7265  \"red\" stroke=\"re\n+00009670: 6422 2070 6f69 6e74 733d 2231 3030 382e  d\" points=\"1008.\n+00009680: 3434 2c2d 3431 302e 3633 2039 3938 2e31  44,-410.63 998.1\n+00009690: 362c 2d34 3133 2e31 3920 3130 3037 2e37  6,-413.19 1007.7\n+000096a0: 392c 2d34 3137 2e36 2031 3030 382e 3434  9,-417.6 1008.44\n+000096b0: 2c2d 3431 302e 3633 222f 3e0a 3c2f 673e  ,-410.63\"/>.</g>\n+000096c0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+000096d0: 5f67 726f 6d61 6373 5f66 696c 6569 6f26  _gromacs_fileio&\n+000096e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+000096f0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n+00009700: 7574 696c 6974 7920 2d2d 3e0a 3c67 2069  utility -->.<g i\n+00009710: 643d 2265 6467 6535 3522 2063 6c61 7373  d=\"edge55\" class\n+00009720: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00009730: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00009740: 6373 5f66 696c 6569 6f26 2334 353b 2667  cs_fileio&#45;&g\n+00009750: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00009760: 6d61 6373 5f6d 6472 756e 7574 696c 6974  macs_mdrunutilit\n+00009770: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820  y</title>.<path \n+00009780: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00009790: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n+000097a0: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n+000097b0: 2c32 2220 643d 224d 3136 3137 2e33 382c  ,2\" d=\"M1617.38,\n+000097c0: 2d34 3536 2e31 4331 3632 322e 3739 2c2d  -456.1C1622.79,-\n+000097d0: 3434 362e 3732 2031 3633 312e 3736 2c2d  446.72 1631.76,-\n+000097e0: 3433 332e 3236 2031 3633 372c 2d34 3230  433.26 1637,-420\n+000097f0: 2e30 3920 3136 3632 2e31 2c2d 3335 372e  .09 1662.1,-357.\n+00009800: 3036 2031 3637 382e 3039 2c2d 3331 392e  06 1678.09,-319.\n+00009810: 3034 2031 3633 342c 2d32 3637 2e34 3820  04 1634,-267.48 \n+00009820: 3135 3639 2e36 322c 2d31 3932 2e32 3120  1569.62,-192.21 \n+00009830: 3132 3635 2e33 2c2d 3136 362e 3639 2031  1265.3,-166.69 1\n+00009840: 3133 372e 3535 2c2d 3135 392e 3037 222f  137.55,-159.07\"/\n+00009850: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00009860: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+00009870: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n+00009880: 733d 2231 3133 372e 3339 2c2d 3135 352e  s=\"1137.39,-155.\n+00009890: 3535 2031 3132 372e 322c 2d31 3538 2e34  55 1127.2,-158.4\n+000098a0: 3720 3131 3336 2e39 382c 2d31 3632 2e35  7 1136.98,-162.5\n+000098b0: 3420 3131 3337 2e33 392c 2d31 3535 2e35  4 1137.39,-155.5\n+000098c0: 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  5\"/>.</g>.<!-- m\n+000098d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000098e0: 735f 6669 6c65 696f 2623 3435 3b26 6774  s_fileio&#45;&gt\n+000098f0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00009900: 6163 735f 6d64 7370 616e 202d 2d3e 0a3c  acs_mdspan -->.<\n+00009910: 6720 6964 3d22 6564 6765 3531 2220 636c  g id=\"edge51\" cl\n+00009920: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00009930: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00009940: 6f6d 6163 735f 6669 6c65 696f 2623 3435  omacs_fileio&#45\n+00009950: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00009960: 6772 6f6d 6163 735f 6d64 7370 616e 3c2f  gromacs_mdspan</\n+00009970: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00009980: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00009990: 2272 6564 2220 643d 224d 3135 3936 2e36  \"red\" d=\"M1596.6\n+000099a0: 352c 2d34 3539 2e33 3943 3135 3832 2c2d  5,-459.39C1582,-\n+000099b0: 3435 312e 3134 2031 3536 322e 3135 2c2d  451.14 1562.15,-\n+000099c0: 3433 372e 3620 3135 3531 2c2d 3432 302e  437.6 1551,-420.\n+000099d0: 3039 2031 3534 322e 3636 2c2d 3430 3720  09 1542.66,-407 \n+000099e0: 3134 3939 2e33 342c 2d31 3837 2e34 3120  1499.34,-187.41 \n+000099f0: 3134 3835 2e33 362c 2d31 3135 2e37 3422  1485.36,-115.74\"\n+00009a00: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00009a10: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n+00009a20: 6564 2220 706f 696e 7473 3d22 3134 3838  ed\" points=\"1488\n+00009a30: 2e37 392c 2d31 3135 2e30 3620 3134 3833  .79,-115.06 1483\n+00009a40: 2e34 352c 2d31 3035 2e39 3120 3134 3831  .45,-105.91 1481\n+00009a50: 2e39 322c 2d31 3136 2e34 2031 3438 382e  .92,-116.4 1488.\n+00009a60: 3739 2c2d 3131 352e 3036 222f 3e0a 3c2f  79,-115.06\"/>.</\n+00009a70: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00009a80: 7263 5f67 726f 6d61 6373 5f74 7261 6a65  rc_gromacs_traje\n+00009a90: 6374 6f72 7920 2d2d 3e0a 3c67 2069 643d  ctory -->.<g id=\n+00009aa0: 226e 6f64 6534 3722 2063 6c61 7373 3d22  \"node47\" class=\"\n+00009ab0: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f  node\">.<title>mo\n+00009ac0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00009ad0: 5f74 7261 6a65 6374 6f72 793c 2f74 6974  _trajectory</tit\n+00009ae0: 6c65 3e0a 3c65 6c6c 6970 7365 2066 696c  le>.<ellipse fil\n+00009af0: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n+00009b00: 6b65 3d22 626c 6163 6b22 2063 783d 2231  ke=\"black\" cx=\"1\n+00009b10: 3931 3322 2063 793d 222d 3231 382e 3035  913\" cy=\"-218.05\n+00009b20: 2220 7278 3d22 3431 2e30 3222 2072 793d  \" rx=\"41.02\" ry=\n+00009b30: 2231 332e 3337 222f 3e0a 3c74 6578 7420  \"13.37\"/>.<text \n+00009b40: 7465 7874 2d61 6e63 686f 723d 226d 6964  text-anchor=\"mid\n+00009b50: 646c 6522 2078 3d22 3139 3133 2220 793d  dle\" x=\"1913\" y=\n+00009b60: 222d 3231 352e 3535 2220 666f 6e74 2d66  \"-215.55\" font-f\n+00009b70: 616d 696c 793d 2246 7265 6553 616e 7322  amily=\"FreeSans\"\n+00009b80: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30   font-size=\"10.0\n+00009b90: 3022 3e74 7261 6a65 6374 6f72 793c 2f74  0\">trajectory</t\n+00009ba0: 6578 743e 0a3c 2f67 3e0a 3c21 2d2d 206d  ext>.</g>.<!-- m\n+00009bb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00009bc0: 735f 6669 6c65 696f 2623 3435 3b26 6774  s_fileio&#45;&gt\n+00009bd0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00009be0: 6163 735f 7472 616a 6563 746f 7279 202d  acs_trajectory -\n+00009bf0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3538  ->.<g id=\"edge58\n+00009c00: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+00009c10: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+00009c20: 635f 6772 6f6d 6163 735f 6669 6c65 696f  c_gromacs_fileio\n+00009c30: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00009c40: 7372 635f 6772 6f6d 6163 735f 7472 616a  src_gromacs_traj\n+00009c50: 6563 746f 7279 3c2f 7469 746c 653e 0a3c  ectory</title>.<\n+00009c60: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00009c70: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+00009c80: 2220 643d 224d 3136 3331 2e36 362c 2d34  \" d=\"M1631.66,-4\n+00009c90: 3538 2e39 3343 3136 3437 2e32 342c 2d34  58.93C1647.24,-4\n+00009ca0: 3439 2e36 3820 3136 3730 2e39 322c 2d34  49.68 1670.92,-4\n+00009cb0: 3334 2e39 3420 3136 3930 2c2d 3432 302e  34.94 1690,-420.\n+00009cc0: 3039 2031 3736 382e 3537 2c2d 3335 382e  09 1768.57,-358.\n+00009cd0: 3933 2031 3737 392e 3034 2c2d 3333 332e  93 1779.04,-333.\n+00009ce0: 3031 2031 3835 342c 2d32 3637 2e34 3820  01 1854,-267.48 \n+00009cf0: 3138 3635 2e37 372c 2d32 3537 2e31 3920  1865.77,-257.19 \n+00009d00: 3138 3739 2e32 312c 2d32 3436 2e31 2031  1879.21,-246.1 1\n+00009d10: 3839 302e 332c 2d32 3337 2e31 3422 2f3e  890.3,-237.14\"/>\n+00009d20: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00009d30: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n+00009d40: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n+00009d50: 3d22 3138 3932 2e36 352c 2d32 3339 2e37  =\"1892.65,-239.7\n+00009d60: 3420 3138 3938 2e32 342c 2d32 3330 2e37  4 1898.24,-230.7\n+00009d70: 3420 3138 3838 2e32 362c 2d32 3334 2e32  4 1888.26,-234.2\n+00009d80: 3820 3138 3932 2e36 352c 2d32 3339 2e37  8 1892.65,-239.7\n+00009d90: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  4\"/>.</g>.<!-- m\n+00009da0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00009db0: 735f 6669 6c65 696f 2623 3435 3b26 6774  s_fileio&#45;&gt\n+00009dc0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00009dd0: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n+00009de0: 6573 5f61 7768 202d 2d3e 0a3c 6720 6964  es_awh -->.<g id\n+00009df0: 3d22 6564 6765 3532 2220 636c 6173 733d  =\"edge52\" class=\n+00009e00: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+00009e10: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00009e20: 735f 6669 6c65 696f 2623 3435 3b26 6774  s_fileio&#45;&gt\n+00009e30: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00009e40: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n+00009e50: 6573 5f61 7768 3c2f 7469 746c 653e 0a3c  es_awh</title>.<\n+00009e60: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00009e70: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+00009e80: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+00009e90: 6179 3d22 352c 3222 2064 3d22 4d31 3632  ay=\"5,2\" d=\"M162\n+00009ea0: 352e 3439 2c2d 3438 322e 3343 3136 3239  5.49,-482.3C1629\n+00009eb0: 2e39 362c 2d34 3839 2e39 3120 3136 3334  .96,-489.91 1634\n+00009ec0: 2e36 352c 2d35 3030 2e30 3620 3136 3338  .65,-500.06 1638\n+00009ed0: 2e30 332c 2d35 3039 2e31 3522 2f3e 0a3c  .03,-509.15\"/>.<\n+00009ee0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n+00009ef0: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n+00009f00: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n+00009f10: 3136 3334 2e37 352c 2d35 3130 2e33 3820  1634.75,-510.38 \n+00009f20: 3136 3431 2e32 312c 2d35 3138 2e37 3820  1641.21,-518.78 \n+00009f30: 3136 3431 2e33 392c 2d35 3038 2e31 3920  1641.39,-508.19 \n+00009f40: 3136 3334 2e37 352c 2d35 3130 2e33 3822  1634.75,-510.38\"\n+00009f50: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00009f60: 756c 655f 7372 635f 7465 7374 7574 696c  ule_src_testutil\n+00009f70: 7320 2d2d 3e0a 3c67 2069 643d 226e 6f64  s -->.<g id=\"nod\n+00009f80: 6535 3022 2063 6c61 7373 3d22 6e6f 6465  e50\" class=\"node\n+00009f90: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00009fa0: 5f73 7263 5f74 6573 7475 7469 6c73 3c2f  _src_testutils</\n+00009fb0: 7469 746c 653e 0a3c 6720 6964 3d22 615f  title>.<g id=\"a_\n+00009fc0: 6e6f 6465 3530 223e 3c61 2078 6c69 6e6b  node50\"><a xlink\n+00009fd0: 3a68 7265 663d 2267 726f 7570 5f5f 6d6f  :href=\"group__mo\n+00009fe0: 6475 6c65 5f5f 7465 7374 7574 696c 732e  dule__testutils.\n+00009ff0: 7868 746d 6c22 2074 6172 6765 743d 225f  xhtml\" target=\"_\n+0000a000: 746f 7022 2078 6c69 6e6b 3a74 6974 6c65  top\" xlink:title\n+0000a010: 3d22 7465 7374 7574 696c 7322 3e0a 3c65  =\"testutils\">.<e\n+0000a020: 6c6c 6970 7365 2066 696c 6c3d 2223 6666  llipse fill=\"#ff\n+0000a030: 6534 6363 2220 7374 726f 6b65 3d22 626c  e4cc\" stroke=\"bl\n+0000a040: 6163 6b22 2063 783d 2232 3538 3322 2063  ack\" cx=\"2583\" c\n+0000a050: 793d 222d 3930 392e 3632 2220 7278 3d22  y=\"-909.62\" rx=\"\n+0000a060: 3336 2e31 3222 2072 793d 2231 332e 3337  36.12\" ry=\"13.37\n+0000a070: 222f 3e0a 3c74 6578 7420 7465 7874 2d61  \"/>.<text text-a\n+0000a080: 6e63 686f 723d 226d 6964 646c 6522 2078  nchor=\"middle\" x\n+0000a090: 3d22 3235 3833 2220 793d 222d 3930 372e  =\"2583\" y=\"-907.\n+0000a0a0: 3132 2220 666f 6e74 2d66 616d 696c 793d  12\" font-family=\n+0000a0b0: 2246 7265 6553 616e 7322 2066 6f6e 742d  \"FreeSans\" font-\n+0000a0c0: 7369 7a65 3d22 3130 2e30 3022 3e74 6573  size=\"10.00\">tes\n+0000a0d0: 7475 7469 6c73 3c2f 7465 7874 3e0a 3c2f  tutils</text>.</\n+0000a0e0: 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d  a>.</g>.</g>.<!-\n+0000a0f0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+0000a100: 6d61 6373 5f66 696c 6569 6f26 2334 353b  macs_fileio&#45;\n+0000a110: 2667 743b 6d6f 6475 6c65 5f73 7263 5f74  &gt;module_src_t\n+0000a120: 6573 7475 7469 6c73 202d 2d3e 0a3c 6720  estutils -->.<g \n+0000a130: 6964 3d22 6564 6765 3539 2220 636c 6173  id=\"edge59\" clas\n+0000a140: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+0000a150: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+0000a160: 6163 735f 6669 6c65 696f 2623 3435 3b26  acs_fileio&#45;&\n+0000a170: 6774 3b6d 6f64 756c 655f 7372 635f 7465  gt;module_src_te\n+0000a180: 7374 7574 696c 733c 2f74 6974 6c65 3e0a  stutils</title>.\n+0000a190: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+0000a1a0: 2220 7374 726f 6b65 3d22 2332 6363 6332  \" stroke=\"#2ccc2\n+0000a1b0: 3822 2073 7472 6f6b 652d 6461 7368 6172  8\" stroke-dashar\n+0000a1c0: 7261 793d 2235 2c32 2220 643d 224d 3136  ray=\"5,2\" d=\"M16\n+0000a1d0: 3431 2e38 372c 2d34 3731 2e31 3343 3137  41.87,-471.13C17\n+0000a1e0: 3936 2e33 312c 2d34 3734 2e39 3320 3235  96.31,-474.93 25\n+0000a1f0: 3634 2c2d 3439 382e 3632 2032 3536 342c  64,-498.62 2564,\n+0000a200: 2d35 3934 2e32 3720 3235 3634 2c2d 3732  -594.27 2564,-72\n+0000a210: 322e 3031 2032 3536 342c 2d37 3232 2e30  2.01 2564,-722.0\n+0000a220: 3120 3235 3634 2c2d 3732 322e 3031 2032  1 2564,-722.01 2\n+0000a230: 3536 342c 2d37 3831 2e33 3620 3235 3733  564,-781.36 2573\n+0000a240: 2e36 332c 2d38 3530 2e38 2032 3537 392e  .63,-850.8 2579.\n+0000a250: 3138 2c2d 3838 352e 3837 222f 3e0a 3c70  18,-885.87\"/>.<p\n+0000a260: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3263  olygon fill=\"#2c\n+0000a270: 6363 3238 2220 7374 726f 6b65 3d22 2332  cc28\" stroke=\"#2\n+0000a280: 6363 6332 3822 2070 6f69 6e74 733d 2232  ccc28\" points=\"2\n+0000a290: 3537 352e 3737 2c2d 3838 362e 3638 2032  575.77,-886.68 2\n+0000a2a0: 3538 302e 3832 2c2d 3839 352e 3939 2032  580.82,-895.99 2\n+0000a2b0: 3538 322e 3638 2c2d 3838 352e 3536 2032  582.68,-885.56 2\n+0000a2c0: 3537 352e 3737 2c2d 3838 362e 3638 222f  575.77,-886.68\"/\n+0000a2d0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+0000a2e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n+0000a2f0: 7761 6c64 2623 3435 3b26 6774 3b6d 6f64  wald&#45;&gt;mod\n+0000a300: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000a310: 676d 786c 6962 202d 2d3e 0a3c 6720 6964  gmxlib -->.<g id\n+0000a320: 3d22 6564 6765 3633 2220 636c 6173 733d  =\"edge63\" class=\n+0000a330: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+0000a340: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000a350: 735f 6577 616c 6426 2334 353b 2667 743b  s_ewald&#45;&gt;\n+0000a360: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000a370: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65  cs_gmxlib</title\n+0000a380: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+0000a390: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n+0000a3a0: 6662 6622 2064 3d22 4d34 3335 2e32 382c  fbf\" d=\"M435.28,\n+0000a3b0: 2d39 3739 2e39 3843 3438 332e 3334 2c2d  -979.98C483.34,-\n+0000a3c0: 3939 342e 3333 2035 3932 2e39 372c 2d31  994.33 592.97,-1\n+0000a3d0: 3032 392e 3033 2036 3837 2c2d 3130 3438  029.03 687,-1048\n+0000a3e0: 2e37 3920 3739 322e 3937 2c2d 3130 3731  .79 792.97,-1071\n+0000a3f0: 2e30 3720 3931 392e 3436 2c2d 3130 3835  .07 919.46,-1085\n+0000a400: 2e38 3720 3938 322e 3835 2c2d 3130 3932  .87 982.85,-1092\n+0000a410: 2e37 3622 2f3e 0a3c 706f 6c79 676f 6e20  .76\"/>.<polygon \n+0000a420: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n+0000a430: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+0000a440: 706f 696e 7473 3d22 3938 322e 3532 2c2d  points=\"982.52,-\n+0000a450: 3130 3936 2e32 3520 3939 322e 3834 2c2d  1096.25 992.84,-\n+0000a460: 3130 3933 2e38 3420 3938 332e 3237 2c2d  1093.84 983.27,-\n+0000a470: 3130 3839 2e32 3920 3938 322e 3532 2c2d  1089.29 982.52,-\n+0000a480: 3130 3936 2e32 3522 2f3e 0a3c 2f67 3e0a  1096.25\"/>.</g>.\n+0000a490: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+0000a4a0: 6772 6f6d 6163 735f 6577 616c 6426 2334  gromacs_ewald&#4\n+0000a4b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0000a4c0: 5f67 726f 6d61 6373 5f6e 626e 786d 202d  _gromacs_nbnxm -\n+0000a4d0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3636  ->.<g id=\"edge66\n+0000a4e0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+0000a4f0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+0000a500: 635f 6772 6f6d 6163 735f 6577 616c 6426  c_gromacs_ewald&\n+0000a510: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0000a520: 7263 5f67 726f 6d61 6373 5f6e 626e 786d  rc_gromacs_nbnxm\n+0000a530: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+0000a540: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+0000a550: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n+0000a560: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+0000a570: 3222 2064 3d22 4d33 3936 2e32 342c 2d39  2\" d=\"M396.24,-9\n+0000a580: 3630 2e35 3443 3338 382e 3339 2c2d 3935  60.54C388.39,-95\n+0000a590: 312e 3120 3338 302e 3338 2c2d 3933 362e  1.1 380.38,-936.\n+0000a5a0: 3834 2033 3737 2c2d 3932 332e 3035 2033  84 377,-923.05 3\n+0000a5b0: 3631 2e34 372c 2d38 3539 2e38 2033 3638  61.47,-859.8 368\n+0000a5c0: 2e30 352c 2d37 3831 2e39 3520 3337 362e  .05,-781.95 376.\n+0000a5d0: 3234 2c2d 3734 342e 3339 222f 3e0a 3c70  24,-744.39\"/>.<p\n+0000a5e0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n+0000a5f0: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n+0000a600: 3832 6663 6322 2070 6f69 6e74 733d 2233  82fcc\" points=\"3\n+0000a610: 3739 2e36 382c 2d37 3435 2e30 3420 3337  79.68,-745.04 37\n+0000a620: 382e 3639 2c2d 3733 342e 3439 2033 3732  8.69,-734.49 372\n+0000a630: 2e38 392c 2d37 3433 2e33 3520 3337 392e  .89,-743.35 379.\n+0000a640: 3638 2c2d 3734 352e 3034 222f 3e0a 3c2f  68,-745.04\"/>.</\n+0000a650: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0000a660: 7263 5f67 726f 6d61 6373 5f65 7761 6c64  rc_gromacs_ewald\n+0000a670: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0000a680: 7372 635f 6772 6f6d 6163 735f 6861 7264  src_gromacs_hard\n+0000a690: 7761 7265 202d 2d3e 0a3c 6720 6964 3d22  ware -->.<g id=\"\n+0000a6a0: 6564 6765 3637 2220 636c 6173 733d 2265  edge67\" class=\"e\n+0000a6b0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+0000a6c0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000a6d0: 6577 616c 6426 2334 353b 2667 743b 6d6f  ewald&#45;&gt;mo\n+0000a6e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000a6f0: 5f68 6172 6477 6172 653c 2f74 6974 6c65  _hardware</title\n+0000a700: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+0000a710: 6e65 2220 7374 726f 6b65 3d22 7265 6422  ne\" stroke=\"red\"\n+0000a720: 2064 3d22 4d34 3134 2e38 382c 2d39 3539   d=\"M414.88,-959\n+0000a730: 2e31 3743 3432 312e 3432 2c2d 3933 382e  .17C421.42,-938.\n+0000a740: 3433 2034 3334 2e37 312c 2d38 3936 2e32  43 434.71,-896.2\n+0000a750: 3520 3434 322e 3934 2c2d 3837 302e 3136  5 442.94,-870.16\n+0000a760: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+0000a770: 6c3d 2272 6564 2220 7374 726f 6b65 3d22  l=\"red\" stroke=\"\n+0000a780: 7265 6422 2070 6f69 6e74 733d 2234 3436  red\" points=\"446\n+0000a790: 2e33 352c 2d38 3730 2e39 3720 3434 362e  .35,-870.97 446.\n+0000a7a0: 3032 2c2d 3836 302e 3338 2034 3339 2e36  02,-860.38 439.6\n+0000a7b0: 372c 2d38 3638 2e38 3720 3434 362e 3335  7,-868.87 446.35\n+0000a7c0: 2c2d 3837 302e 3937 222f 3e0a 3c2f 673e  ,-870.97\"/>.</g>\n+0000a7d0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+0000a7e0: 5f67 726f 6d61 6373 5f65 7761 6c64 2623  _gromacs_ewald&#\n+0000a7f0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0000a800: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n+0000a810: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467  s -->.<g id=\"edg\n+0000a820: 6536 3522 2063 6c61 7373 3d22 6564 6765  e65\" class=\"edge\n+0000a830: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+0000a840: 5f73 7263 5f67 726f 6d61 6373 5f65 7761  _src_gromacs_ewa\n+0000a850: 6c64 2623 3435 3b26 6774 3b6d 6f64 756c  ld&#45;&gt;modul\n+0000a860: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+0000a870: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70  types</title>.<p\n+0000a880: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+0000a890: 7374 726f 6b65 3d22 7265 6422 2064 3d22  stroke=\"red\" d=\"\n+0000a8a0: 4d34 3339 2e35 392c 2d39 3735 2e30 3543  M439.59,-975.05C\n+0000a8b0: 3538 312e 3534 2c2d 3938 332e 3135 2031  581.54,-983.15 1\n+0000a8c0: 3230 392e 3837 2c2d 3130 3230 2e34 3920  209.87,-1020.49 \n+0000a8d0: 3133 3837 2e39 2c2d 3130 3331 2e33 3722  1387.9,-1031.37\"\n+0000a8e0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+0000a8f0: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n+0000a900: 6564 2220 706f 696e 7473 3d22 3133 3837  ed\" points=\"1387\n+0000a910: 2e38 2c2d 3130 3334 2e38 3720 3133 3938  .8,-1034.87 1398\n+0000a920: 2c2d 3130 3331 2e39 3920 3133 3838 2e32  ,-1031.99 1388.2\n+0000a930: 332c 2d31 3032 372e 3838 2031 3338 372e  3,-1027.88 1387.\n+0000a940: 382c 2d31 3033 342e 3837 222f 3e0a 3c2f  8,-1034.87\"/>.</\n+0000a950: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0000a960: 7263 5f67 726f 6d61 6373 5f65 7761 6c64  rc_gromacs_ewald\n+0000a970: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0000a980: 7372 635f 6772 6f6d 6163 735f 6770 755f  src_gromacs_gpu_\n+0000a990: 7574 696c 7320 2d2d 3e0a 3c67 2069 643d  utils -->.<g id=\n+0000a9a0: 2265 6467 6536 3022 2063 6c61 7373 3d22  \"edge60\" class=\"\n+0000a9b0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+0000a9c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000a9d0: 5f65 7761 6c64 2623 3435 3b26 6774 3b6d  _ewald&#45;&gt;m\n+0000a9e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000a9f0: 735f 6770 755f 7574 696c 733c 2f74 6974  s_gpu_utils</tit\n+0000aa00: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+0000aa10: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265  none\" stroke=\"re\n+0000aa20: 6422 2064 3d22 4d34 3237 2e31 322c 2d39  d\" d=\"M427.12,-9\n+0000aa30: 3631 2e32 4334 3531 2e39 342c 2d39 3435  61.2C451.94,-945\n+0000aa40: 2e36 3720 3530 312e 3334 2c2d 3931 352e  .67 501.34,-915.\n+0000aa50: 3935 2035 3436 2c2d 3839 362e 3138 2035  95 546,-896.18 5\n+0000aa60: 3931 2e38 382c 2d38 3735 2e38 3720 3632  91.88,-875.87 62\n+0000aa70: 332e 3732 2c2d 3930 302e 3933 2036 3533  3.72,-900.93 653\n+0000aa80: 2c2d 3836 302e 3138 2036 3633 2e39 312c  ,-860.18 663.91,\n+0000aa90: 2d38 3434 2e39 3920 3636 312e 312c 2d38  -844.99 661.1,-8\n+0000aaa0: 3233 2e33 3320 3635 362e 3438 2c2d 3830  23.33 656.48,-80\n+0000aab0: 372e 3134 222f 3e0a 3c70 6f6c 7967 6f6e  7.14\"/>.<polygon\n+0000aac0: 2066 696c 6c3d 2272 6564 2220 7374 726f   fill=\"red\" stro\n+0000aad0: 6b65 3d22 7265 6422 2070 6f69 6e74 733d  ke=\"red\" points=\n+0000aae0: 2236 3539 2e37 332c 2d38 3035 2e38 3320  \"659.73,-805.83 \n+0000aaf0: 3635 332e 3331 2c2d 3739 372e 3431 2036  653.31,-797.41 6\n+0000ab00: 3533 2e30 382c 2d38 3038 2036 3539 2e37  53.08,-808 659.7\n+0000ab10: 332c 2d38 3035 2e38 3322 2f3e 0a3c 2f67  3,-805.83\"/>.</g\n+0000ab20: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+0000ab30: 635f 6772 6f6d 6163 735f 6577 616c 6426  c_gromacs_ewald&\n+0000ab40: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0000ab50: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n+0000ab60: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+0000ab70: 3634 2220 636c 6173 733d 2265 6467 6522  64\" class=\"edge\"\n+0000ab80: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+0000ab90: 7372 635f 6772 6f6d 6163 735f 6577 616c  src_gromacs_ewal\n+0000aba0: 6426 2334 353b 2667 743b 6d6f 6475 6c65  d&#45;&gt;module\n+0000abb0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c  _src_gromacs_mdl\n+0000abc0: 6962 3c2f 7469 746c 653e 0a3c 7061 7468  ib</title>.<path\n+0000abd0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+0000abe0: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n+0000abf0: 224d 3339 322e 3435 2c2d 3936 312e 3935  \"M392.45,-961.95\n+0000ac00: 4333 3335 2e33 362c 2d39 3237 2e38 2031  C335.36,-927.8 1\n+0000ac10: 3638 2c2d 3830 352e 3833 2031 3638 2c2d  68,-805.83 168,-\n+0000ac20: 3635 392e 3134 2031 3638 2c2d 3635 392e  659.14 168,-659.\n+0000ac30: 3134 2031 3638 2c2d 3635 392e 3134 2031  14 168,-659.14 1\n+0000ac40: 3638 2c2d 3539 342e 3237 2031 3638 2c2d  68,-594.27 168,-\n+0000ac50: 3434 302e 3720 3235 312e 3636 2c2d 3339  440.7 251.66,-39\n+0000ac60: 342e 3839 2033 3931 2c2d 3333 302e 3335  4.89 391,-330.35\n+0000ac70: 2034 3533 2e35 352c 2d33 3031 2e33 3820   453.55,-301.38 \n+0000ac80: 3934 302e 3039 2c2d 3238 362e 3435 2031  940.09,-286.45 1\n+0000ac90: 3038 322e 3233 2c2d 3238 322e 3831 222f  082.23,-282.81\"/\n+0000aca0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+0000acb0: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n+0000acc0: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n+0000acd0: 733d 2231 3038 322e 3731 2c2d 3238 362e  s=\"1082.71,-286.\n+0000ace0: 3320 3130 3932 2e36 322c 2d32 3832 2e35  3 1092.62,-282.5\n+0000acf0: 3520 3130 3832 2e35 332c 2d32 3739 2e33  5 1082.53,-279.3\n+0000ad00: 2031 3038 322e 3731 2c2d 3238 362e 3322   1082.71,-286.3\"\n+0000ad10: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+0000ad20: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000ad30: 6577 616c 6426 2334 353b 2667 743b 6d6f  ewald&#45;&gt;mo\n+0000ad40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000ad50: 5f64 6f6d 6465 6320 2d2d 3e0a 3c67 2069  _domdec -->.<g i\n+0000ad60: 643d 2265 6467 6536 3222 2063 6c61 7373  d=\"edge62\" class\n+0000ad70: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+0000ad80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000ad90: 6373 5f65 7761 6c64 2623 3435 3b26 6774  cs_ewald&#45;&gt\n+0000ada0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0000adb0: 6163 735f 646f 6d64 6563 3c2f 7469 746c  acs_domdec</titl\n+0000adc0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+0000add0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n+0000ade0: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n+0000adf0: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n+0000ae00: 4d34 3032 2e31 392c 2d39 3539 2e36 3443  M402.19,-959.64C\n+0000ae10: 3339 302e 3836 2c2d 3933 352e 3237 2033  390.86,-935.27 3\n+0000ae20: 3737 2e30 362c 2d38 3738 2e30 3220 3339  77.06,-878.02 39\n+0000ae30: 322c 2d38 3333 2e33 3120 3431 342e 3131  2,-833.31 414.11\n+0000ae40: 2c2d 3736 372e 3134 2034 3732 2e33 322c  ,-767.14 472.32,\n+0000ae50: 2d37 3035 2e39 3420 3530 362e 3533 2c2d  -705.94 506.53,-\n+0000ae60: 3637 362e 3837 222f 3e0a 3c70 6f6c 7967  676.87\"/>.<polyg\n+0000ae70: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n+0000ae80: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+0000ae90: 6322 2070 6f69 6e74 733d 2235 3039 2e31  c\" points=\"509.1\n+0000aea0: 362c 2d36 3739 2e32 3420 3531 342e 3637  6,-679.24 514.67\n+0000aeb0: 2c2d 3637 302e 3139 2035 3034 2e37 322c  ,-670.19 504.72,\n+0000aec0: 2d36 3733 2e38 3320 3530 392e 3136 2c2d  -673.83 509.16,-\n+0000aed0: 3637 392e 3234 222f 3e0a 3c2f 673e 0a3c  679.24\"/>.</g>.<\n+0000aee0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+0000aef0: 726f 6d61 6373 5f65 7761 6c64 2623 3435  romacs_ewald&#45\n+0000af00: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0000af10: 6772 6f6d 6163 735f 6666 7420 2d2d 3e0a  gromacs_fft -->.\n+0000af20: 3c67 2069 643d 2265 6467 6536 3122 2063  <g id=\"edge61\" c\n+0000af30: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+0000af40: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+0000af50: 726f 6d61 6373 5f65 7761 6c64 2623 3435  romacs_ewald&#45\n+0000af60: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0000af70: 6772 6f6d 6163 735f 6666 743c 2f74 6974  gromacs_fft</tit\n+0000af80: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+0000af90: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265  none\" stroke=\"re\n+0000afa0: 6422 2064 3d22 4d34 3334 2e36 322c 2d39  d\" d=\"M434.62,-9\n+0000afb0: 3634 2e35 4334 3430 2e39 2c2d 3936 322e  64.5C440.9,-962.\n+0000afc0: 3639 2034 3437 2e37 2c2d 3936 302e 3736  69 447.7,-960.76\n+0000afd0: 2034 3534 2c2d 3935 392e 3035 2035 3136   454,-959.05 516\n+0000afe0: 2e38 342c 2d39 3432 2035 3333 2e32 382c  .84,-942 533.28,\n+0000aff0: 2d39 3430 2e35 2035 3936 2c2d 3932 332e  -940.5 596,-923.\n+0000b000: 3035 2035 3938 2e39 392c 2d39 3232 2e32  05 598.99,-922.2\n+0000b010: 3220 3630 322e 3038 2c2d 3932 312e 3333  2 602.08,-921.33\n+0000b020: 2036 3035 2e31 382c 2d39 3230 2e34 3222   605.18,-920.42\"\n+0000b030: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+0000b040: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n+0000b050: 6564 2220 706f 696e 7473 3d22 3630 362e  ed\" points=\"606.\n+0000b060: 3334 2c2d 3932 332e 3733 2036 3134 2e39  34,-923.73 614.9\n+0000b070: 332c 2d39 3137 2e35 3220 3630 342e 3334  3,-917.52 604.34\n+0000b080: 2c2d 3931 372e 3032 2036 3036 2e33 342c  ,-917.02 606.34,\n+0000b090: 2d39 3233 2e37 3322 2f3e 0a3c 2f67 3e0a  -923.73\"/>.</g>.\n+0000b0a0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+0000b0b0: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273  gromacs_modulars\n+0000b0c0: 696d 756c 6174 6f72 2623 3435 3b26 6774  imulator&#45;&gt\n+0000b0d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0000b0e0: 6163 735f 676d 786c 6962 202d 2d3e 0a3c  acs_gmxlib -->.<\n+0000b0f0: 6720 6964 3d22 6564 6765 3730 2220 636c  g id=\"edge70\" cl\n+0000b100: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+0000b110: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+0000b120: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d  omacs_modularsim\n+0000b130: 756c 6174 6f72 2623 3435 3b26 6774 3b6d  ulator&#45;&gt;m\n+0000b140: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000b150: 735f 676d 786c 6962 3c2f 7469 746c 653e  s_gmxlib</title>\n+0000b160: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+0000b170: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n+0000b180: 6266 2220 643d 224d 3935 352e 312c 2d34  bf\" d=\"M955.1,-4\n+0000b190: 3230 2e30 3643 3937 342e 3534 2c2d 3433  20.06C974.54,-43\n+0000b1a0: 362e 3536 2031 3031 312e 3233 2c2d 3436  6.56 1011.23,-46\n+0000b1b0: 352e 3637 2031 3034 372c 2d34 3832 2e39  5.67 1047,-482.9\n+0000b1c0: 3620 3130 3938 2e36 372c 2d35 3037 2e39  6 1098.67,-507.9\n+0000b1d0: 3320 3131 3336 2e35 342c 2d34 3733 2e30  3 1136.54,-473.0\n+0000b1e0: 3720 3131 3731 2c2d 3531 382e 3936 2031  7 1171,-518.96 1\n+0000b1f0: 3231 302e 3238 2c2d 3537 312e 3237 2031  210.28,-571.27 1\n+0000b200: 3034 332e 3331 2c2d 3731 302e 3132 2031  043.31,-710.12 1\n+0000b210: 3031 382c 2d37 3730 2e34 3420 3130 3034  018,-770.44 1004\n+0000b220: 2e38 2c2d 3830 312e 3931 2031 3030 332c  .8,-801.91 1003,\n+0000b230: 2d38 3131 2e36 3220 3130 3033 2c2d 3834  -811.62 1003,-84\n+0000b240: 352e 3735 2031 3030 332c 2d39 3733 2e34  5.75 1003,-973.4\n+0000b250: 3920 3130 3033 2c2d 3937 332e 3439 2031  9 1003,-973.49 1\n+0000b260: 3030 332c 2d39 3733 2e34 3920 3130 3033  003,-973.49 1003\n+0000b270: 2c2d 3130 3039 2e33 3120 3130 3131 2e32  ,-1009.31 1011.2\n+0000b280: 372c 2d31 3035 302e 3234 2031 3031 372e  7,-1050.24 1017.\n+0000b290: 3138 2c2d 3130 3734 2e38 3822 2f3e 0a3c  18,-1074.88\"/>.<\n+0000b2a0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n+0000b2b0: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n+0000b2c0: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n+0000b2d0: 3130 3133 2e38 2c2d 3130 3735 2e38 3220  1013.8,-1075.82 \n+0000b2e0: 3130 3139 2e36 312c 2d31 3038 342e 3639  1019.61,-1084.69\n+0000b2f0: 2031 3032 302e 362c 2d31 3037 342e 3134   1020.6,-1074.14\n+0000b300: 2031 3031 332e 382c 2d31 3037 352e 3832   1013.8,-1075.82\n+0000b310: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+0000b320: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000b330: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f  _modularsimulato\n+0000b340: 7226 2334 353b 2667 743b 6d6f 6475 6c65  r&#45;&gt;module\n+0000b350: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e  _src_gromacs_nbn\n+0000b360: 786d 202d 2d3e 0a3c 6720 6964 3d22 6564  xm -->.<g id=\"ed\n+0000b370: 6765 3739 2220 636c 6173 733d 2265 6467  ge79\" class=\"edg\n+0000b380: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+0000b390: 655f 7372 635f 6772 6f6d 6163 735f 6d6f  e_src_gromacs_mo\n+0000b3a0: 6475 6c61 7273 696d 756c 6174 6f72 2623  dularsimulator&#\n+0000b3b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0000b3c0: 635f 6772 6f6d 6163 735f 6e62 6e78 6d3c  c_gromacs_nbnxm<\n+0000b3d0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+0000b3e0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+0000b3f0: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+0000b400: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n+0000b410: 2220 643d 224d 3838 312e 3238 2c2d 3431  \" d=\"M881.28,-41\n+0000b420: 322e 3131 4338 3237 2e35 352c 2d34 3137  2.11C827.55,-417\n+0000b430: 2e36 3620 3734 372e 3235 2c2d 3432 392e  .66 747.25,-429.\n+0000b440: 3835 2036 3832 2c2d 3435 362e 3039 2035  85 682,-456.09 5\n+0000b450: 3530 2e31 312c 2d35 3039 2e31 3320 3433  50.11,-509.13 43\n+0000b460: 382e 312c 2d36 3437 2e38 2033 3939 2e34  8.1,-647.8 399.4\n+0000b470: 332c 2d36 3939 2e38 3622 2f3e 0a3c 706f  3,-699.86\"/>.<po\n+0000b480: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n+0000b490: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n+0000b4a0: 3266 6363 2220 706f 696e 7473 3d22 3339  2fcc\" points=\"39\n+0000b4b0: 362e 3536 2c2d 3639 372e 3836 2033 3933  6.56,-697.86 393\n+0000b4c0: 2e34 372c 2d37 3038 2034 3032 2e32 2c2d  .47,-708 402.2,-\n+0000b4d0: 3730 3220 3339 362e 3536 2c2d 3639 372e  702 396.56,-697.\n+0000b4e0: 3836 222f 3e0a 3c2f 673e 0a3c 212d 2d20  86\"/>.</g>.<!-- \n+0000b4f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000b500: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61  cs_modularsimula\n+0000b510: 746f 7226 2334 353b 2667 743b 6d6f 6475  tor&#45;&gt;modu\n+0000b520: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72  le_src_gromacs_r\n+0000b530: 616e 646f 6d20 2d2d 3e0a 3c67 2069 643d  andom -->.<g id=\n+0000b540: 2265 6467 6538 3022 2063 6c61 7373 3d22  \"edge80\" class=\"\n+0000b550: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+0000b560: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000b570: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f  _modularsimulato\n+0000b580: 7226 2334 353b 2667 743b 6d6f 6475 6c65  r&#45;&gt;module\n+0000b590: 5f73 7263 5f67 726f 6d61 6373 5f72 616e  _src_gromacs_ran\n+0000b5a0: 646f 6d3c 2f74 6974 6c65 3e0a 3c70 6174  dom</title>.<pat\n+0000b5b0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+0000b5c0: 726f 6b65 3d22 626c 6163 6b22 2073 7472  roke=\"black\" str\n+0000b5d0: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n+0000b5e0: 2c32 2220 643d 224d 3935 382e 3334 2c2d  ,2\" d=\"M958.34,-\n+0000b5f0: 3339 332e 3433 4339 3835 2e31 312c 2d33  393.43C985.11,-3\n+0000b600: 3734 2e37 2031 3033 352e 3435 2c2d 3334  74.7 1035.45,-34\n+0000b610: 302e 3034 2031 3035 352c 2d33 3330 2e33  0.04 1055,-330.3\n+0000b620: 3520 3130 3938 2e34 352c 2d33 3038 2e38  5 1098.45,-308.8\n+0000b630: 3220 3131 3137 2e34 312c 2d33 3230 2e38  2 1117.41,-320.8\n+0000b640: 3820 3131 3538 2c2d 3239 342e 3335 2031  8 1158,-294.35 1\n+0000b650: 3137 312e 3635 2c2d 3238 352e 3433 2031  171.65,-285.43 1\n+0000b660: 3136 382e 3331 2c2d 3237 342e 3537 2031  168.31,-274.57 1\n+0000b670: 3138 332c 2d32 3637 2e34 3820 3132 3833  183,-267.48 1283\n+0000b680: 2e37 382c 2d32 3138 2e38 2031 3632 392e  .78,-218.8 1629.\n+0000b690: 3534 2c2d 3231 372e 3320 3137 3533 2e39  54,-217.3 1753.9\n+0000b6a0: 352c 2d32 3138 2e34 3122 2f3e 0a3c 706f  5,-218.41\"/>.<po\n+0000b6b0: 6c79 676f 6e20 6669 6c6c 3d22 626c 6163  lygon fill=\"blac\n+0000b6c0: 6b22 2073 7472 6f6b 653d 2262 6c61 636b  k\" stroke=\"black\n+0000b6d0: 2220 706f 696e 7473 3d22 3137 3534 2e32  \" points=\"1754.2\n+0000b6e0: 322c 2d32 3231 2e39 3120 3137 3634 2e32  2,-221.91 1764.2\n+0000b6f0: 352c 2d32 3138 2e35 3120 3137 3534 2e32  5,-218.51 1754.2\n+0000b700: 392c 2d32 3134 2e39 3120 3137 3534 2e32  9,-214.91 1754.2\n+0000b710: 322c 2d32 3231 2e39 3122 2f3e 0a3c 2f67  2,-221.91\"/>.</g\n+0000b720: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+0000b730: 635f 6772 6f6d 6163 735f 6d6f 6475 6c61  c_gromacs_modula\n+0000b740: 7273 696d 756c 6174 6f72 2623 3435 3b26  rsimulator&#45;&\n+0000b750: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0000b760: 6f6d 6163 735f 6d64 7479 7065 7320 2d2d  omacs_mdtypes --\n+0000b770: 3e0a 3c67 2069 643d 2265 6467 6537 3122  >.<g id=\"edge71\"\n+0000b780: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+0000b790: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+0000b7a0: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172  _gromacs_modular\n+0000b7b0: 7369 6d75 6c61 746f 7226 2334 353b 2667  simulator&#45;&g\n+0000b7c0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0000b7d0: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469  macs_mdtypes</ti\n+0000b7e0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+0000b7f0: 226e 6f6e 6522 2073 7472 6f6b 653d 2272  \"none\" stroke=\"r\n+0000b800: 6564 2220 643d 224d 3130 3034 2e32 322c  ed\" d=\"M1004.22,\n+0000b810: 2d34 3130 2e30 3943 3131 3036 2e30 382c  -410.09C1106.08,\n+0000b820: 2d34 3137 2e39 3320 3133 3032 2e38 382c  -417.93 1302.88,\n+0000b830: 2d34 3530 2e32 3520 3133 3830 2c2d 3538  -450.25 1380,-58\n+0000b840: 312e 3833 2031 3432 352e 3533 2c2d 3635  1.83 1425.53,-65\n+0000b850: 392e 3532 2031 3338 352e 3532 2c2d 3839  9.52 1385.52,-89\n+0000b860: 392e 3237 2031 3431 302c 2d39 3835 2e39  9.27 1410,-985.9\n+0000b870: 3220 3134 3132 2e36 362c 2d39 3935 2e33  2 1412.66,-995.3\n+0000b880: 3520 3134 3137 2e32 362c 2d31 3030 352e  5 1417.26,-1005.\n+0000b890: 3037 2031 3432 312e 3739 2c2d 3130 3133  07 1421.79,-1013\n+0000b8a0: 2e33 222f 3e0a 3c70 6f6c 7967 6f6e 2066  .3\"/>.<polygon f\n+0000b8b0: 696c 6c3d 2272 6564 2220 7374 726f 6b65  ill=\"red\" stroke\n+0000b8c0: 3d22 7265 6422 2070 6f69 6e74 733d 2231  =\"red\" points=\"1\n+0000b8d0: 3431 382e 392c 2d31 3031 352e 3320 3134  418.9,-1015.3 14\n+0000b8e0: 3236 2e39 362c 2d31 3032 322e 3139 2031  26.96,-1022.19 1\n+0000b8f0: 3432 342e 3935 2c2d 3130 3131 2e37 3820  424.95,-1011.78 \n+0000b900: 3134 3138 2e39 2c2d 3130 3135 2e33 222f  1418.9,-1015.3\"/\n+0000b910: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+0000b920: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+0000b930: 6f64 756c 6172 7369 6d75 6c61 746f 7226  odularsimulator&\n+0000b940: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0000b950: 7263 5f67 726f 6d61 6373 5f6c 6973 7465  rc_gromacs_liste\n+0000b960: 645f 666f 7263 6573 202d 2d3e 0a3c 6720  d_forces -->.<g \n+0000b970: 6964 3d22 6564 6765 3738 2220 636c 6173  id=\"edge78\" clas\n+0000b980: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+0000b990: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+0000b9a0: 6163 735f 6d6f 6475 6c61 7273 696d 756c  acs_modularsimul\n+0000b9b0: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64  ator&#45;&gt;mod\n+0000b9c0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000b9d0: 6c69 7374 6564 5f66 6f72 6365 733c 2f74  listed_forces</t\n+0000b9e0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+0000b9f0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+0000ba00: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n+0000ba10: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+0000ba20: 643d 224d 3930 382e 3832 2c2d 3339 342e  d=\"M908.82,-394.\n+0000ba30: 3832 4338 3133 2e30 372c 2d33 3632 2e35  82C813.07,-362.5\n+0000ba40: 3620 3533 302e 3139 2c2d 3236 372e 3238  6 530.19,-267.28\n+0000ba50: 2034 3236 2e30 352c 2d32 3332 2e32 222f   426.05,-232.2\"/\n+0000ba60: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+0000ba70: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+0000ba80: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n+0000ba90: 733d 2234 3237 2e31 342c 2d32 3238 2e38  s=\"427.14,-228.8\n+0000baa0: 3720 3431 362e 3535 2c2d 3232 3920 3432  7 416.55,-229 42\n+0000bab0: 342e 3931 2c2d 3233 352e 3531 2034 3237  4.91,-235.51 427\n+0000bac0: 2e31 342c 2d32 3238 2e38 3722 2f3e 0a3c  .14,-228.87\"/>.<\n+0000bad0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+0000bae0: 7372 635f 6772 6f6d 6163 735f 6d6f 6475  src_gromacs_modu\n+0000baf0: 6c61 7273 696d 756c 6174 6f72 2623 3435  larsimulator&#45\n+0000bb00: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0000bb10: 6772 6f6d 6163 735f 6669 6c65 696f 202d  gromacs_fileio -\n+0000bb20: 2d3e 0a3c 6720 6964 3d22 6564 6765 3832  ->.<g id=\"edge82\n+0000bb30: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+0000bb40: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+0000bb50: 635f 6772 6f6d 6163 735f 6d6f 6475 6c61  c_gromacs_modula\n+0000bb60: 7273 696d 756c 6174 6f72 2623 3435 3b26  rsimulator&#45;&\n+0000bb70: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0000bb80: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469  omacs_fileio</ti\n+0000bb90: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+0000bba0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+0000bbb0: 6266 6266 6266 2220 643d 224d 3939 392e  bfbfbf\" d=\"M999.\n+0000bbc0: 3434 2c2d 3431 322e 3538 4331 3133 352e  44,-412.58C1135.\n+0000bbd0: 3239 2c2d 3432 342e 3439 2031 3436 382e  29,-424.49 1468.\n+0000bbe0: 3736 2c2d 3435 342e 3632 2031 3537 392e  76,-454.62 1579.\n+0000bbf0: 3033 2c2d 3436 342e 3937 222f 3e0a 3c70  03,-464.97\"/>.<p\n+0000bc00: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n+0000bc10: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n+0000bc20: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n+0000bc30: 3537 382e 3731 2c2d 3436 382e 3436 2031  578.71,-468.46 1\n+0000bc40: 3538 382e 3939 2c2d 3436 352e 3931 2031  588.99,-465.91 1\n+0000bc50: 3537 392e 3336 2c2d 3436 312e 3439 2031  579.36,-461.49 1\n+0000bc60: 3537 382e 3731 2c2d 3436 382e 3436 222f  578.71,-468.46\"/\n+0000bc70: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+0000bc80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+0000bc90: 6f64 756c 6172 7369 6d75 6c61 746f 7226  odularsimulator&\n+0000bca0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0000bcb0: 7263 5f67 726f 6d61 6373 5f63 6f6d 7061  rc_gromacs_compa\n+0000bcc0: 7420 2d2d 3e0a 3c67 2069 643d 2265 6467  t -->.<g id=\"edg\n+0000bcd0: 6537 3422 2063 6c61 7373 3d22 6564 6765  e74\" class=\"edge\n+0000bce0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+0000bcf0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64  _src_gromacs_mod\n+0000bd00: 756c 6172 7369 6d75 6c61 746f 7226 2334  ularsimulator&#4\n+0000bd10: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0000bd20: 5f67 726f 6d61 6373 5f63 6f6d 7061 743c  _gromacs_compat<\n+0000bd30: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+0000bd40: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+0000bd50: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+0000bd60: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n+0000bd70: 2220 643d 224d 3933 302e 3933 2c2d 3339  \" d=\"M930.93,-39\n+0000bd80: 332e 3132 4339 3035 2e34 2c2d 3336 312e  3.12C905.4,-361.\n+0000bd90: 3336 2038 3338 2e30 312c 2d32 3737 2e35  36 838.01,-277.5\n+0000bda0: 3320 3830 372e 3032 2c2d 3233 382e 3937  3 807.02,-238.97\n+0000bdb0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+0000bdc0: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n+0000bdd0: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n+0000bde0: 6e74 733d 2238 3039 2e36 332c 2d32 3336  nts=\"809.63,-236\n+0000bdf0: 2e36 3420 3830 302e 3634 2c2d 3233 312e  .64 800.64,-231.\n+0000be00: 3034 2038 3034 2e31 382c 2d32 3431 2e30  04 804.18,-241.0\n+0000be10: 3320 3830 392e 3633 2c2d 3233 362e 3634  3 809.63,-236.64\n+0000be20: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+0000be30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000be40: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f  _modularsimulato\n+0000be50: 7226 2334 353b 2667 743b 6d6f 6475 6c65  r&#45;&gt;module\n+0000be60: 5f73 7263 5f67 726f 6d61 6373 5f65 7761  _src_gromacs_ewa\n+0000be70: 6c64 202d 2d3e 0a3c 6720 6964 3d22 6564  ld -->.<g id=\"ed\n+0000be80: 6765 3737 2220 636c 6173 733d 2265 6467  ge77\" class=\"edg\n+0000be90: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+0000bea0: 655f 7372 635f 6772 6f6d 6163 735f 6d6f  e_src_gromacs_mo\n+0000beb0: 6475 6c61 7273 696d 756c 6174 6f72 2623  dularsimulator&#\n+0000bec0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0000bed0: 635f 6772 6f6d 6163 735f 6577 616c 643c  c_gromacs_ewald<\n+0000bee0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+0000bef0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+0000bf00: 3d22 7265 6422 2064 3d22 4d39 3034 2e38  =\"red\" d=\"M904.8\n+0000bf10: 362c 2d34 3137 2e39 3843 3836 302e 3235  6,-417.98C860.25\n+0000bf20: 2c2d 3433 322e 3720 3738 352e 3538 2c2d  ,-432.7 785.58,-\n+0000bf30: 3436 342e 3231 2037 3437 2c2d 3531 382e  464.21 747,-518.\n+0000bf40: 3936 2036 3734 2e36 2c2d 3632 312e 3731  96 674.6,-621.71\n+0000bf50: 2037 3339 2e32 352c 2d36 3738 2e39 3320   739.25,-678.93 \n+0000bf60: 3639 372c 2d37 3937 2e33 3120 3638 362e  697,-797.31 686.\n+0000bf70: 3235 2c2d 3832 372e 3433 2036 3836 2e35  25,-827.43 686.5\n+0000bf80: 362c 2d38 3339 2e37 2036 3632 2c2d 3836  6,-839.7 662,-86\n+0000bf90: 302e 3138 2036 3233 2e37 392c 2d38 3932  0.18 623.79,-892\n+0000bfa0: 2e30 3520 3539 382e 3936 2c2d 3837 312e  .05 598.96,-871.\n+0000bfb0: 3038 2035 3536 2c2d 3839 362e 3138 2035  08 556,-896.18 5\n+0000bfc0: 3430 2e35 352c 2d39 3035 2e32 3120 3534  40.55,-905.21 54\n+0000bfd0: 312e 3132 2c2d 3931 332e 3437 2035 3236  1.12,-913.47 526\n+0000bfe0: 2c2d 3932 332e 3035 2035 3030 2e30 362c  ,-923.05 500.06,\n+0000bff0: 2d39 3339 2e34 3820 3436 372e 3538 2c2d  -939.48 467.58,-\n+0000c000: 3935 322e 3537 2034 3433 2e37 372c 2d39  952.57 443.77,-9\n+0000c010: 3630 2e39 3722 2f3e 0a3c 706f 6c79 676f  60.97\"/>.<polygo\n+0000c020: 6e20 6669 6c6c 3d22 7265 6422 2073 7472  n fill=\"red\" str\n+0000c030: 6f6b 653d 2272 6564 2220 706f 696e 7473  oke=\"red\" points\n+0000c040: 3d22 3434 322e 3435 2c2d 3935 372e 3732  =\"442.45,-957.72\n+0000c050: 2034 3334 2e31 342c 2d39 3634 2e32 3920   434.14,-964.29 \n+0000c060: 3434 342e 3733 2c2d 3936 342e 3334 2034  444.73,-964.34 4\n+0000c070: 3432 2e34 352c 2d39 3537 2e37 3222 2f3e  42.45,-957.72\"/>\n+0000c080: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+0000c090: 655f 7372 635f 6772 6f6d 6163 735f 6d6f  e_src_gromacs_mo\n+0000c0a0: 6475 6c61 7273 696d 756c 6174 6f72 2623  dularsimulator&#\n+0000c0b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0000c0c0: 635f 6772 6f6d 6163 735f 6770 755f 7574  c_gromacs_gpu_ut\n+0000c0d0: 696c 7320 2d2d 3e0a 3c67 2069 643d 2265  ils -->.<g id=\"e\n+0000c0e0: 6467 6538 3122 2063 6c61 7373 3d22 6564  dge81\" class=\"ed\n+0000c0f0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+0000c100: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+0000c110: 6f64 756c 6172 7369 6d75 6c61 746f 7226  odularsimulator&\n+0000c120: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0000c130: 7263 5f67 726f 6d61 6373 5f67 7075 5f75  rc_gromacs_gpu_u\n+0000c140: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061  tils</title>.<pa\n+0000c150: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+0000c160: 7472 6f6b 653d 2262 6c61 636b 2220 7374  troke=\"black\" st\n+0000c170: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+0000c180: 352c 3222 2064 3d22 4d39 3038 2e34 2c2d  5,2\" d=\"M908.4,-\n+0000c190: 3431 382e 3238 4338 3330 2e36 382c 2d34  418.28C830.68,-4\n+0000c1a0: 3433 2e37 3620 3634 302e 3334 2c2d 3530  43.76 640.34,-50\n+0000c1b0: 372e 3039 2036 3332 2c2d 3531 382e 3936  7.09 632,-518.96\n+0000c1c0: 2036 3235 2e31 332c 2d35 3238 2e37 3320   625.13,-528.73 \n+0000c1d0: 3633 302e 3831 2c2d 3533 332e 3935 2036  630.81,-533.95 6\n+0000c1e0: 3332 2c2d 3534 352e 3833 2036 3336 2e34  32,-545.83 636.4\n+0000c1f0: 372c 2d35 3930 2e34 3420 3634 372e 3533  7,-590.44 647.53\n+0000c200: 2c2d 3630 302e 3039 2036 3532 2c2d 3634  ,-600.09 652,-64\n+0000c210: 342e 3720 3635 352e 3937 2c2d 3638 342e  4.7 655.97,-684.\n+0000c220: 3339 2036 3533 2e36 342c 2d36 3934 2e35  39 653.64,-694.5\n+0000c230: 3920 3635 322c 2d37 3334 2e34 3420 3635  9 652,-734.44 65\n+0000c240: 312e 3636 2c2d 3734 322e 3739 2036 3530  1.66,-742.79 650\n+0000c250: 2e39 382c 2d37 3531 2e39 3220 3635 302e  .98,-751.92 650.\n+0000c260: 3238 2c2d 3735 392e 3939 222f 3e0a 3c70  28,-759.99\"/>.<p\n+0000c270: 6f6c 7967 6f6e 2066 696c 6c3d 2262 6c61  olygon fill=\"bla\n+0000c280: 636b 2220 7374 726f 6b65 3d22 626c 6163  ck\" stroke=\"blac\n+0000c290: 6b22 2070 6f69 6e74 733d 2236 3436 2e37  k\" points=\"646.7\n+0000c2a0: 382c 2d37 3539 2e38 3720 3634 392e 3334  8,-759.87 649.34\n+0000c2b0: 2c2d 3737 302e 3135 2036 3533 2e37 352c  ,-770.15 653.75,\n+0000c2c0: 2d37 3630 2e35 3120 3634 362e 3738 2c2d  -760.51 646.78,-\n+0000c2d0: 3735 392e 3837 222f 3e0a 3c2f 673e 0a3c  759.87\"/>.</g>.<\n+0000c2e0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+0000c2f0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369  romacs_modularsi\n+0000c300: 6d75 6c61 746f 7226 2334 353b 2667 743b  mulator&#45;&gt;\n+0000c310: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000c320: 6373 5f6d 646c 6962 202d 2d3e 0a3c 6720  cs_mdlib -->.<g \n+0000c330: 6964 3d22 6564 6765 3639 2220 636c 6173  id=\"edge69\" clas\n+0000c340: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+0000c350: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+0000c360: 6163 735f 6d6f 6475 6c61 7273 696d 756c  acs_modularsimul\n+0000c370: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64  ator&#45;&gt;mod\n+0000c380: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000c390: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70  mdlib</title>.<p\n+0000c3a0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+0000c3b0: 7374 726f 6b65 3d22 7265 6422 2064 3d22  stroke=\"red\" d=\"\n+0000c3c0: 4d39 3531 2e37 372c 2d33 3933 2e31 3943  M951.77,-393.19C\n+0000c3d0: 3936 362e 3132 2c2d 3337 372e 3134 2039  966.12,-377.14 9\n+0000c3e0: 3932 2e38 372c 2d33 3439 2e30 3820 3130  92.87,-349.08 10\n+0000c3f0: 3230 2c2d 3333 302e 3335 2031 3034 312e  20,-330.35 1041.\n+0000c400: 3937 2c2d 3331 352e 3138 2031 3036 392e  97,-315.18 1069.\n+0000c410: 3431 2c2d 3330 322e 3336 2031 3039 302e  41,-302.36 1090.\n+0000c420: 3135 2c2d 3239 332e 3732 222f 3e0a 3c70  15,-293.72\"/>.<p\n+0000c430: 6f6c 7967 6f6e 2066 696c 6c3d 2272 6564  olygon fill=\"red\n+0000c440: 2220 7374 726f 6b65 3d22 7265 6422 2070  \" stroke=\"red\" p\n+0000c450: 6f69 6e74 733d 2231 3039 312e 352c 2d32  oints=\"1091.5,-2\n+0000c460: 3936 2e39 3520 3130 3939 2e34 352c 2d32  96.95 1099.45,-2\n+0000c470: 3839 2e39 3420 3130 3838 2e38 362c 2d32  89.94 1088.86,-2\n+0000c480: 3930 2e34 3620 3130 3931 2e35 2c2d 3239  90.46 1091.5,-29\n+0000c490: 362e 3935 222f 3e0a 3c2f 673e 0a3c 212d  6.95\"/>.</g>.<!-\n+0000c4a0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+0000c4b0: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75  macs_modularsimu\n+0000c4c0: 6c61 746f 7226 2334 353b 2667 743b 6d6f  lator&#45;&gt;mo\n+0000c4d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000c4e0: 5f6d 6472 756e 7574 696c 6974 7920 2d2d  _mdrunutility --\n+0000c4f0: 3e0a 3c67 2069 643d 2265 6467 6537 3322  >.<g id=\"edge73\"\n+0000c500: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+0000c510: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+0000c520: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172  _gromacs_modular\n+0000c530: 7369 6d75 6c61 746f 7226 2334 353b 2667  simulator&#45;&g\n+0000c540: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0000c550: 6d61 6373 5f6d 6472 756e 7574 696c 6974  macs_mdrunutilit\n+0000c560: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820  y</title>.<path \n+0000c570: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+0000c580: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n+0000c590: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n+0000c5a0: 2c32 2220 643d 224d 3934 312e 3338 2c2d  ,2\" d=\"M941.38,-\n+0000c5b0: 3339 332e 3134 4339 3432 2e37 392c 2d33  393.14C942.79,-3\n+0000c5c0: 3637 2039 3439 2e33 382c 2d33 3035 2e38  67 949.38,-305.8\n+0000c5d0: 3720 3938 302c 2d32 3637 2e34 3820 3130  7 980,-267.48 10\n+0000c5e0: 3030 2e38 332c 2d32 3431 2e33 3620 3130  00.83,-241.36 10\n+0000c5f0: 3233 2e31 342c 2d32 3535 2e38 3520 3130  23.14,-255.85 10\n+0000c600: 3436 2c2d 3233 312e 3438 2031 3036 302e  46,-231.48 1060.\n+0000c610: 3038 2c2d 3231 362e 3437 2031 3036 392e  08,-216.47 1069.\n+0000c620: 3334 2c2d 3139 342e 3739 2031 3037 342e  34,-194.79 1074.\n+0000c630: 3737 2c2d 3137 382e 3534 222f 3e0a 3c70  77,-178.54\"/>.<p\n+0000c640: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n+0000c650: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n+0000c660: 3832 6663 6322 2070 6f69 6e74 733d 2231  82fcc\" points=\"1\n+0000c670: 3037 382e 3138 2c2d 3137 392e 3336 2031  078.18,-179.36 1\n+0000c680: 3037 372e 3831 2c2d 3136 382e 3737 2031  077.81,-168.77 1\n+0000c690: 3037 312e 352c 2d31 3737 2e32 3820 3130  071.5,-177.28 10\n+0000c6a0: 3738 2e31 382c 2d31 3739 2e33 3622 2f3e  78.18,-179.36\"/>\n+0000c6b0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+0000c6c0: 655f 7372 635f 6772 6f6d 6163 735f 7075  e_src_gromacs_pu\n+0000c6d0: 6c6c 696e 6720 2d2d 3e0a 3c67 2069 643d  lling -->.<g id=\n+0000c6e0: 226e 6f64 6532 3822 2063 6c61 7373 3d22  \"node28\" class=\"\n+0000c6f0: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f  node\">.<title>mo\n+0000c700: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000c710: 5f70 756c 6c69 6e67 3c2f 7469 746c 653e  _pulling</title>\n+0000c720: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22  .<ellipse fill=\"\n+0000c730: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n+0000c740: 2262 6c61 636b 2220 6378 3d22 3130 3935  \"black\" cx=\"1095\n+0000c750: 2220 6379 3d22 2d33 3433 2e37 3922 2072  \" cy=\"-343.79\" r\n+0000c760: 783d 2233 312e 3233 2220 7279 3d22 3133  x=\"31.23\" ry=\"13\n+0000c770: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n+0000c780: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n+0000c790: 2220 783d 2231 3039 3522 2079 3d22 2d33  \" x=\"1095\" y=\"-3\n+0000c7a0: 3431 2e32 3922 2066 6f6e 742d 6661 6d69  41.29\" font-fami\n+0000c7b0: 6c79 3d22 4672 6565 5361 6e73 2220 666f  ly=\"FreeSans\" fo\n+0000c7c0: 6e74 2d73 697a 653d 2231 302e 3030 223e  nt-size=\"10.00\">\n+0000c7d0: 7075 6c6c 696e 673c 2f74 6578 743e 0a3c  pulling</text>.<\n+0000c7e0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+0000c7f0: 7372 635f 6772 6f6d 6163 735f 6d6f 6475  src_gromacs_modu\n+0000c800: 6c61 7273 696d 756c 6174 6f72 2623 3435  larsimulator&#45\n+0000c810: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0000c820: 6772 6f6d 6163 735f 7075 6c6c 696e 6720  gromacs_pulling \n+0000c830: 2d2d 3e0a 3c67 2069 643d 2265 6467 6537  -->.<g id=\"edge7\n+0000c840: 3222 2063 6c61 7373 3d22 6564 6765 223e  2\" class=\"edge\">\n+0000c850: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+0000c860: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c  rc_gromacs_modul\n+0000c870: 6172 7369 6d75 6c61 746f 7226 2334 353b  arsimulator&#45;\n+0000c880: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0000c890: 726f 6d61 6373 5f70 756c 6c69 6e67 3c2f  romacs_pulling</\n+0000c8a0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+0000c8b0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+0000c8c0: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+0000c8d0: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+0000c8e0: 2064 3d22 4d39 3639 2e32 352c 2d33 3934   d=\"M969.25,-394\n+0000c8f0: 2e34 3943 3939 352e 3835 2c2d 3338 332e  .49C995.85,-383.\n+0000c900: 3938 2031 3033 352e 3634 2c2d 3336 382e  98 1035.64,-368.\n+0000c910: 3235 2031 3036 332e 3332 2c2d 3335 372e  25 1063.32,-357.\n+0000c920: 3331 222f 3e0a 3c70 6f6c 7967 6f6e 2066  31\"/>.<polygon f\n+0000c930: 696c 6c3d 2223 3238 3266 6363 2220 7374  ill=\"#282fcc\" st\n+0000c940: 726f 6b65 3d22 2332 3832 6663 6322 2070  roke=\"#282fcc\" p\n+0000c950: 6f69 6e74 733d 2231 3036 342e 392c 2d33  oints=\"1064.9,-3\n+0000c960: 3630 2e34 3520 3130 3732 2e39 322c 2d33  60.45 1072.92,-3\n+0000c970: 3533 2e35 3120 3130 3632 2e33 332c 2d33  53.51 1062.33,-3\n+0000c980: 3533 2e39 3420 3130 3634 2e39 2c2d 3336  53.94 1064.9,-36\n+0000c990: 302e 3435 222f 3e0a 3c2f 673e 0a3c 212d  0.45\"/>.</g>.<!-\n+0000c9a0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+0000c9b0: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75  macs_modularsimu\n+0000c9c0: 6c61 746f 7226 2334 353b 2667 743b 6d6f  lator&#45;&gt;mo\n+0000c9d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000c9e0: 5f63 6f6d 6d61 6e64 6c69 6e65 202d 2d3e  _commandline -->\n+0000c9f0: 0a3c 6720 6964 3d22 6564 6765 3736 2220  .<g id=\"edge76\" \n+0000ca00: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+0000ca10: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+0000ca20: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273  gromacs_modulars\n+0000ca30: 696d 756c 6174 6f72 2623 3435 3b26 6774  imulator&#45;&gt\n+0000ca40: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0000ca50: 6163 735f 636f 6d6d 616e 646c 696e 653c  acs_commandline<\n+0000ca60: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+0000ca70: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+0000ca80: 3d22 626c 6163 6b22 2073 7472 6f6b 652d  =\"black\" stroke-\n+0000ca90: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+0000caa0: 643d 224d 3933 332e 3537 2c2d 3339 332e  d=\"M933.57,-393.\n+0000cab0: 3132 4339 3137 2e35 322c 2d33 3635 2e32  12C917.52,-365.2\n+0000cac0: 3620 3838 302e 3035 2c2d 3239 352e 3535  6 880.05,-295.55\n+0000cad0: 2038 3637 2c2d 3233 312e 3438 2038 3634   867,-231.48 864\n+0000cae0: 2e36 322c 2d32 3139 2e37 3820 3836 352e  .62,-219.78 865.\n+0000caf0: 3433 2c2d 3231 362e 3435 2038 3637 2c2d  43,-216.45 867,-\n+0000cb00: 3230 342e 3631 2038 3730 2e38 312c 2d31  204.61 870.81,-1\n+0000cb10: 3735 2e39 3220 3836 352e 3231 2c2d 3136  75.92 865.21,-16\n+0000cb20: 332e 3735 2038 3834 2c2d 3134 312e 3734  3.75 884,-141.74\n+0000cb30: 2038 3939 2e35 2c2d 3132 332e 3538 2039   899.5,-123.58 9\n+0000cb40: 3233 2e31 392c 2d31 3131 2e39 3320 3934  23.19,-111.93 94\n+0000cb50: 342e 3433 2c2d 3130 342e 3631 222f 3e0a  4.43,-104.61\"/>.\n+0000cb60: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262  <polygon fill=\"b\n+0000cb70: 6c61 636b 2220 7374 726f 6b65 3d22 626c  lack\" stroke=\"bl\n+0000cb80: 6163 6b22 2070 6f69 6e74 733d 2239 3435  ack\" points=\"945\n+0000cb90: 2e35 322c 2d31 3037 2e39 3420 3935 332e  .52,-107.94 953.\n+0000cba0: 3938 2c2d 3130 312e 3535 2039 3433 2e33  98,-101.55 943.3\n+0000cbb0: 382c 2d31 3031 2e32 3720 3934 352e 3532  8,-101.27 945.52\n+0000cbc0: 2c2d 3130 372e 3934 222f 3e0a 3c2f 673e  ,-107.94\"/>.</g>\n+0000cbd0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+0000cbe0: 5f67 726f 6d61 6373 5f74 6173 6b61 7373  _gromacs_taskass\n+0000cbf0: 6967 6e6d 656e 7420 2d2d 3e0a 3c67 2069  ignment -->.<g i\n+0000cc00: 643d 226e 6f64 6533 3922 2063 6c61 7373  d=\"node39\" class\n+0000cc10: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e  =\"node\">.<title>\n+0000cc20: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000cc30: 6373 5f74 6173 6b61 7373 6967 6e6d 656e  cs_taskassignmen\n+0000cc40: 743c 2f74 6974 6c65 3e0a 3c67 2069 643d  t</title>.<g id=\n+0000cc50: 2261 5f6e 6f64 6533 3922 3e3c 6120 786c  \"a_node39\"><a xl\n+0000cc60: 696e 6b3a 6872 6566 3d22 6772 6f75 705f  ink:href=\"group_\n+0000cc70: 5f6d 6f64 756c 655f 5f74 6173 6b61 7373  _module__taskass\n+0000cc80: 6967 6e6d 656e 742e 7868 746d 6c22 2074  ignment.xhtml\" t\n+0000cc90: 6172 6765 743d 225f 746f 7022 2078 6c69  arget=\"_top\" xli\n+0000cca0: 6e6b 3a74 6974 6c65 3d22 7461 736b 6173  nk:title=\"taskas\n+0000ccb0: 7369 676e 6d65 6e74 223e 0a3c 656c 6c69  signment\">.<elli\n+0000ccc0: 7073 6520 6669 6c6c 3d22 2365 3563 6366  pse fill=\"#e5ccf\n+0000ccd0: 6622 2073 7472 6f6b 653d 2262 6c61 636b  f\" stroke=\"black\n+0000cce0: 2220 6378 3d22 3537 3722 2063 793d 222d  \" cx=\"577\" cy=\"-\n+0000ccf0: 3334 332e 3739 2220 7278 3d22 3630 2e36  343.79\" rx=\"60.6\n+0000cd00: 3222 2072 793d 2231 332e 3337 222f 3e0a  2\" ry=\"13.37\"/>.\n+0000cd10: 3c74 6578 7420 7465 7874 2d61 6e63 686f  <text text-ancho\n+0000cd20: 723d 226d 6964 646c 6522 2078 3d22 3537  r=\"middle\" x=\"57\n+0000cd30: 3722 2079 3d22 2d33 3431 2e32 3922 2066  7\" y=\"-341.29\" f\n+0000cd40: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565  ont-family=\"Free\n+0000cd50: 5361 6e73 2220 666f 6e74 2d73 697a 653d  Sans\" font-size=\n+0000cd60: 2231 302e 3030 223e 7461 736b 6173 7369  \"10.00\">taskassi\n+0000cd70: 676e 6d65 6e74 3c2f 7465 7874 3e0a 3c2f  gnment</text>.</\n+0000cd80: 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d  a>.</g>.</g>.<!-\n+0000cd90: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+0000cda0: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75  macs_modularsimu\n+0000cdb0: 6c61 746f 7226 2334 353b 2667 743b 6d6f  lator&#45;&gt;mo\n+0000cdc0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000cdd0: 5f74 6173 6b61 7373 6967 6e6d 656e 7420  _taskassignment \n+0000cde0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6538  -->.<g id=\"edge8\n+0000cdf0: 3322 2063 6c61 7373 3d22 6564 6765 223e  3\" class=\"edge\">\n+0000ce00: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+0000ce10: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c  rc_gromacs_modul\n+0000ce20: 6172 7369 6d75 6c61 746f 7226 2334 353b  arsimulator&#45;\n+0000ce30: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0000ce40: 726f 6d61 6373 5f74 6173 6b61 7373 6967  romacs_taskassig\n+0000ce50: 6e6d 656e 743c 2f74 6974 6c65 3e0a 3c70  nment</title>.<p\n+0000ce60: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+0000ce70: 7374 726f 6b65 3d22 7265 6422 2064 3d22  stroke=\"red\" d=\"\n+0000ce80: 4d38 3932 2e36 362c 2d33 3937 2e35 3743  M892.66,-397.57C\n+0000ce90: 3832 352e 3537 2c2d 3338 362e 3335 2037  825.57,-386.35 7\n+0000cea0: 3034 2e34 362c 2d33 3636 2e31 2036 3333  04.46,-366.1 633\n+0000ceb0: 2e33 352c 2d33 3534 2e32 3122 2f3e 0a3c  .35,-354.21\"/>.<\n+0000cec0: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265  polygon fill=\"re\n+0000ced0: 6422 2073 7472 6f6b 653d 2272 6564 2220  d\" stroke=\"red\" \n+0000cee0: 706f 696e 7473 3d22 3633 332e 3637 2c2d  points=\"633.67,-\n+0000cef0: 3335 302e 3731 2036 3233 2e32 332c 2d33  350.71 623.23,-3\n+0000cf00: 3532 2e35 3220 3633 322e 3532 2c2d 3335  52.52 632.52,-35\n+0000cf10: 372e 3632 2036 3333 2e36 372c 2d33 3530  7.62 633.67,-350\n+0000cf20: 2e37 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .71\"/>.</g>.<!--\n+0000cf30: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+0000cf40: 6163 735f 6d6f 6475 6c61 7273 696d 756c  acs_modularsimul\n+0000cf50: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64  ator&#45;&gt;mod\n+0000cf60: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000cf70: 646f 6d64 6563 202d 2d3e 0a3c 6720 6964  domdec -->.<g id\n+0000cf80: 3d22 6564 6765 3638 2220 636c 6173 733d  =\"edge68\" class=\n+0000cf90: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+0000cfa0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000cfb0: 735f 6d6f 6475 6c61 7273 696d 756c 6174  s_modularsimulat\n+0000cfc0: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c  or&#45;&gt;modul\n+0000cfd0: 655f 7372 635f 6772 6f6d 6163 735f 646f  e_src_gromacs_do\n+0000cfe0: 6d64 6563 3c2f 7469 746c 653e 0a3c 7061  mdec</title>.<pa\n+0000cff0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+0000d000: 7472 6f6b 653d 2272 6564 2220 643d 224d  troke=\"red\" d=\"M\n+0000d010: 3839 302e 3932 2c2d 3431 352e 3431 4338  890.92,-415.41C8\n+0000d020: 3437 2e38 392c 2d34 3232 2e39 3720 3738  47.89,-422.97 78\n+0000d030: 342e 3633 2c2d 3433 362e 3236 2037 3332  4.63,-436.26 732\n+0000d040: 2c2d 3435 362e 3039 2037 3038 2e33 392c  ,-456.09 708.39,\n+0000d050: 2d34 3634 2e39 3920 3730 342e 3333 2c2d  -464.99 704.33,-\n+0000d060: 3437 312e 3232 2036 3832 2c2d 3438 322e  471.22 682,-482.\n+0000d070: 3936 2036 3531 2e30 342c 2d34 3939 2e32  96 651.04,-499.2\n+0000d080: 3420 3633 372e 3335 2c2d 3439 342e 3835  4 637.35,-494.85\n+0000d090: 2036 3132 2c2d 3531 382e 3936 2035 3736   612,-518.96 576\n+0000d0a0: 2e36 312c 2d35 3532 2e36 3320 3535 322e  .61,-552.63 552.\n+0000d0b0: 3033 2c2d 3630 352e 3432 2035 3430 2e31  03,-605.42 540.1\n+0000d0c0: 352c 2d36 3335 2e30 3522 2f3e 0a3c 706f  5,-635.05\"/>.<po\n+0000d0d0: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422  lygon fill=\"red\"\n+0000d0e0: 2073 7472 6f6b 653d 2272 6564 2220 706f   stroke=\"red\" po\n+0000d0f0: 696e 7473 3d22 3533 362e 3834 2c2d 3633  ints=\"536.84,-63\n+0000d100: 332e 3931 2035 3336 2e34 382c 2d36 3434  3.91 536.48,-644\n+0000d110: 2e35 2035 3433 2e33 372c 2d36 3336 2e34  .5 543.37,-636.4\n+0000d120: 3420 3533 362e 3834 2c2d 3633 332e 3931  4 536.84,-633.91\n+0000d130: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+0000d140: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000d150: 5f6d 6472 756e 202d 2d3e 0a3c 6720 6964  _mdrun -->.<g id\n+0000d160: 3d22 6e6f 6465 3433 2220 636c 6173 733d  =\"node43\" class=\n+0000d170: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d  \"node\">.<title>m\n+0000d180: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000d190: 735f 6d64 7275 6e3c 2f74 6974 6c65 3e0a  s_mdrun</title>.\n+0000d1a0: 3c67 2069 643d 2261 5f6e 6f64 6534 3322  <g id=\"a_node43\"\n+0000d1b0: 3e3c 6120 786c 696e 6b3a 6872 6566 3d22  ><a xlink:href=\"\n+0000d1c0: 6772 6f75 705f 5f6d 6f64 756c 655f 5f6d  group__module__m\n+0000d1d0: 6472 756e 2e78 6874 6d6c 2220 7461 7267  drun.xhtml\" targ\n+0000d1e0: 6574 3d22 5f74 6f70 2220 786c 696e 6b3a  et=\"_top\" xlink:\n+0000d1f0: 7469 746c 653d 226d 6472 756e 223e 0a3c  title=\"mdrun\">.<\n+0000d200: 656c 6c69 7073 6520 6669 6c6c 3d22 2365  ellipse fill=\"#e\n+0000d210: 3563 6366 6622 2073 7472 6f6b 653d 2262  5ccff\" stroke=\"b\n+0000d220: 6c61 636b 2220 6378 3d22 3933 3322 2063  lack\" cx=\"933\" c\n+0000d230: 793d 222d 3539 352e 3237 2220 7278 3d22  y=\"-595.27\" rx=\"\n+0000d240: 3331 2e32 3322 2072 793d 2231 332e 3337  31.23\" ry=\"13.37\n+0000d250: 222f 3e0a 3c74 6578 7420 7465 7874 2d61  \"/>.<text text-a\n+0000d260: 6e63 686f 723d 226d 6964 646c 6522 2078  nchor=\"middle\" x\n+0000d270: 3d22 3933 3322 2079 3d22 2d35 3932 2e37  =\"933\" y=\"-592.7\n+0000d280: 3722 2066 6f6e 742d 6661 6d69 6c79 3d22  7\" font-family=\"\n+0000d290: 4672 6565 5361 6e73 2220 666f 6e74 2d73  FreeSans\" font-s\n+0000d2a0: 697a 653d 2231 302e 3030 223e 6d64 7275  ize=\"10.00\">mdru\n+0000d2b0: 6e3c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f  n</text>.</a>.</\n+0000d2c0: 673e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  g>.</g>.<!-- mod\n+0000d2d0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000d2e0: 6d6f 6475 6c61 7273 696d 756c 6174 6f72  modularsimulator\n+0000d2f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0000d300: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n+0000d310: 6e20 2d2d 3e0a 3c67 2069 643d 2265 6467  n -->.<g id=\"edg\n+0000d320: 6537 3522 2063 6c61 7373 3d22 6564 6765  e75\" class=\"edge\n+0000d330: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+0000d340: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64  _src_gromacs_mod\n+0000d350: 756c 6172 7369 6d75 6c61 746f 7226 2334  ularsimulator&#4\n+0000d360: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0000d370: 5f67 726f 6d61 6373 5f6d 6472 756e 3c2f  _gromacs_mdrun</\n+0000d380: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+0000d390: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+0000d3a0: 2272 6564 2220 643d 224d 3934 342e 3035  \"red\" d=\"M944.05\n+0000d3b0: 2c2d 3432 302e 3133 4339 3436 2e35 372c  ,-420.13C946.57,\n+0000d3c0: 2d34 3531 2e31 3520 3934 332e 3434 2c2d  -451.15 943.44,-\n+0000d3d0: 3533 322e 3038 2039 3338 2e35 352c 2d35  532.08 938.55,-5\n+0000d3e0: 3731 2e37 3222 2f3e 0a3c 706f 6c79 676f  71.72\"/>.<polygo\n+0000d3f0: 6e20 6669 6c6c 3d22 7265 6422 2073 7472  n fill=\"red\" str\n+0000d400: 6f6b 653d 2272 6564 2220 706f 696e 7473  oke=\"red\" points\n+0000d410: 3d22 3933 352e 3037 2c2d 3537 312e 3334  =\"935.07,-571.34\n+0000d420: 2039 3337 2e31 332c 2d35 3831 2e37 3320   937.13,-581.73 \n+0000d430: 3934 322c 2d35 3732 2e33 3220 3933 352e  942,-572.32 935.\n+0000d440: 3037 2c2d 3537 312e 3334 222f 3e0a 3c2f  07,-571.34\"/>.</\n+0000d450: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0000d460: 7263 5f67 726f 6d61 6373 5f69 6d64 202d  rc_gromacs_imd -\n+0000d470: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3137  ->.<g id=\"node17\n+0000d480: 2220 636c 6173 733d 226e 6f64 6522 3e0a  \" class=\"node\">.\n+0000d490: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+0000d4a0: 635f 6772 6f6d 6163 735f 696d 643c 2f74  c_gromacs_imd</t\n+0000d4b0: 6974 6c65 3e0a 3c67 2069 643d 2261 5f6e  itle>.<g id=\"a_n\n+0000d4c0: 6f64 6531 3722 3e3c 6120 786c 696e 6b3a  ode17\"><a xlink:\n+0000d4d0: 6872 6566 3d22 6772 6f75 705f 5f6d 6f64  href=\"group__mod\n+0000d4e0: 756c 655f 5f69 6d64 2e78 6874 6d6c 2220  ule__imd.xhtml\" \n+0000d4f0: 7461 7267 6574 3d22 5f74 6f70 2220 786c  target=\"_top\" xl\n+0000d500: 696e 6b3a 7469 746c 653d 2269 6d64 223e  ink:title=\"imd\">\n+0000d510: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22  .<ellipse fill=\"\n+0000d520: 2365 3563 6366 6622 2073 7472 6f6b 653d  #e5ccff\" stroke=\n+0000d530: 2262 6c61 636b 2220 6378 3d22 3132 3734  \"black\" cx=\"1274\n+0000d540: 2220 6379 3d22 2d32 3138 2e30 3522 2072  \" cy=\"-218.05\" r\n+0000d550: 783d 2232 3722 2072 793d 2231 332e 3337  x=\"27\" ry=\"13.37\n+0000d560: 222f 3e0a 3c74 6578 7420 7465 7874 2d61  \"/>.<text text-a\n+0000d570: 6e63 686f 723d 226d 6964 646c 6522 2078  nchor=\"middle\" x\n+0000d580: 3d22 3132 3734 2220 793d 222d 3231 352e  =\"1274\" y=\"-215.\n+0000d590: 3535 2220 666f 6e74 2d66 616d 696c 793d  55\" font-family=\n+0000d5a0: 2246 7265 6553 616e 7322 2066 6f6e 742d  \"FreeSans\" font-\n+0000d5b0: 7369 7a65 3d22 3130 2e30 3022 3e69 6d64  size=\"10.00\">imd\n+0000d5c0: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67  </text>.</a>.</g\n 0000d5d0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-0000d5e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-0000d5f0: 6d78 616e 6126 2334 353b 2667 743b 6d6f  mxana&#45;&gt;mo\n-0000d600: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000d610: 5f66 6674 202d 2d3e 0a3c 6720 6964 3d22  _fft -->.<g id=\"\n-0000d620: 6564 6765 3738 2220 636c 6173 733d 2265  edge78\" class=\"e\n+0000d5e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f69  le_src_gromacs_i\n+0000d5f0: 6d64 2623 3435 3b26 6774 3b6d 6f64 756c  md&#45;&gt;modul\n+0000d600: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+0000d610: 786c 6962 202d 2d3e 0a3c 6720 6964 3d22  xlib -->.<g id=\"\n+0000d620: 6564 6765 3837 2220 636c 6173 733d 2265  edge87\" class=\"e\n 0000d630: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n 0000d640: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000d650: 676d 7861 6e61 2623 3435 3b26 6774 3b6d  gmxana&#45;&gt;m\n-0000d660: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000d670: 735f 6666 743c 2f74 6974 6c65 3e0a 3c70  s_fft</title>.<p\n+0000d650: 696d 6426 2334 353b 2667 743b 6d6f 6475  imd&#45;&gt;modu\n+0000d660: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+0000d670: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70  mxlib</title>.<p\n 0000d680: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-0000d690: 7374 726f 6b65 3d22 626c 6163 6b22 2073  stroke=\"black\" s\n-0000d6a0: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n-0000d6b0: 2235 2c32 2220 643d 224d 3139 3132 2e36  \"5,2\" d=\"M1912.6\n-0000d6c0: 2c2d 3130 3233 2e30 3443 3139 3233 2e39  ,-1023.04C1923.9\n-0000d6d0: 312c 2d31 3031 332e 3832 2031 3933 392e  1,-1013.82 1939.\n-0000d6e0: 3534 2c2d 3130 3030 2e30 3620 3139 3531  54,-1000.06 1951\n-0000d6f0: 2c2d 3938 352e 3932 2032 3033 322e 3134  ,-985.92 2032.14\n-0000d700: 2c2d 3838 352e 3832 2032 3037 312c 2d38  ,-885.82 2071,-8\n-0000d710: 3530 2e38 3620 3230 3731 2c2d 3732 322e  50.86 2071,-722.\n-0000d720: 3031 2032 3037 312c 2d37 3232 2e30 3120  01 2071,-722.01 \n-0000d730: 3230 3731 2c2d 3732 322e 3031 2032 3037  2071,-722.01 207\n-0000d740: 312c 2d35 3331 2e34 2032 3037 312c 2d34  1,-531.4 2071,-4\n-0000d750: 3436 2e35 3720 3230 3331 2c2d 3432 392e  46.57 2031,-429.\n-0000d760: 3631 2032 3033 312c 2d33 3434 2e37 3920  61 2031,-344.79 \n-0000d770: 3230 3331 2c2d 3334 342e 3739 2032 3033  2031,-344.79 203\n-0000d780: 312c 2d33 3434 2e37 3920 3230 3331 2c2d  1,-344.79 2031,-\n-0000d790: 3231 372e 3035 2032 3033 312c 2d31 3832  217.05 2031,-182\n-0000d7a0: 2e39 3220 3230 3432 2e30 312c 2d31 3633  .92 2042.01,-163\n-0000d7b0: 2e38 3320 3230 3136 2c2d 3134 312e 3734  .83 2016,-141.74\n-0000d7c0: 2031 3938 382e 3536 2c2d 3131 382e 3434   1988.56,-118.44\n-0000d7d0: 2038 3431 2e33 332c 2d39 372e 3734 2036   841.33,-97.74 6\n-0000d7e0: 3138 2e33 342c 2d39 332e 3933 222f 3e0a  18.34,-93.93\"/>.\n-0000d7f0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262  <polygon fill=\"b\n-0000d800: 6c61 636b 2220 7374 726f 6b65 3d22 626c  lack\" stroke=\"bl\n-0000d810: 6163 6b22 2070 6f69 6e74 733d 2236 3138  ack\" points=\"618\n-0000d820: 2e31 392c 2d39 302e 3433 2036 3038 2e31  .19,-90.43 608.1\n-0000d830: 332c 2d39 332e 3736 2036 3138 2e30 372c  3,-93.76 618.07,\n-0000d840: 2d39 372e 3433 2036 3138 2e31 392c 2d39  -97.43 618.19,-9\n-0000d850: 302e 3433 222f 3e0a 3c2f 673e 0a3c 212d  0.43\"/>.</g>.<!-\n-0000d860: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-0000d870: 6d61 6373 5f67 6d78 616e 6126 2334 353b  macs_gmxana&#45;\n-0000d880: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0000d890: 726f 6d61 6373 5f6d 646c 6962 202d 2d3e  romacs_mdlib -->\n-0000d8a0: 0a3c 6720 6964 3d22 6564 6765 3834 2220  .<g id=\"edge84\" \n-0000d8b0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-0000d8c0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-0000d8d0: 6772 6f6d 6163 735f 676d 7861 6e61 2623  gromacs_gmxana&#\n-0000d8e0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0000d8f0: 635f 6772 6f6d 6163 735f 6d64 6c69 623c  c_gromacs_mdlib<\n-0000d900: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-0000d910: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-0000d920: 3d22 2362 6662 6662 6622 2064 3d22 4d31  =\"#bfbfbf\" d=\"M1\n-0000d930: 3930 302e 3332 2c2d 3130 3231 2e38 3843  900.32,-1021.88C\n-0000d940: 3139 3038 2e30 332c 2d39 3737 2e38 3420  1908.03,-977.84 \n-0000d950: 3139 3330 2e35 312c 2d38 3236 2e30 3220  1930.51,-826.02 \n-0000d960: 3138 3938 2c2d 3730 372e 3537 2031 3837  1898,-707.57 187\n-0000d970: 322e 362c 2d36 3135 2e30 3520 3138 3538  2.6,-615.05 1858\n-0000d980: 2e35 332c 2d35 3839 2e30 3420 3137 3933  .53,-589.04 1793\n-0000d990: 2c2d 3531 382e 3936 2031 3635 322e 3635  ,-518.96 1652.65\n-0000d9a0: 2c2d 3336 382e 3836 2031 3539 332e 3031  ,-368.86 1593.01\n-0000d9b0: 2c2d 3335 302e 3434 2031 3430 352c 2d32  ,-350.44 1405,-2\n-0000d9c0: 3637 2e34 3820 3133 3535 2e37 322c 2d32  67.48 1355.72,-2\n-0000d9d0: 3435 2e37 3320 3132 3934 2e35 392c 2d32  45.73 1294.59,-2\n-0000d9e0: 3332 2e31 2031 3235 362e 3433 2c2d 3232  32.1 1256.43,-22\n-0000d9f0: 352e 3033 222f 3e0a 3c70 6f6c 7967 6f6e  5.03\"/>.<polygon\n-0000da00: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n-0000da10: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-0000da20: 2070 6f69 6e74 733d 2231 3235 362e 3737   points=\"1256.77\n-0000da30: 2c2d 3232 312e 3533 2031 3234 362e 3331  ,-221.53 1246.31\n-0000da40: 2c2d 3232 332e 3220 3132 3535 2e35 332c  ,-223.2 1255.53,\n-0000da50: 2d32 3238 2e34 3220 3132 3536 2e37 372c  -228.42 1256.77,\n-0000da60: 2d32 3231 2e35 3322 2f3e 0a3c 2f67 3e0a  -221.53\"/>.</g>.\n-0000da70: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-0000da80: 6772 6f6d 6163 735f 676d 7861 6e61 2623  gromacs_gmxana&#\n-0000da90: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0000daa0: 635f 6772 6f6d 6163 735f 7472 616a 6563  c_gromacs_trajec\n-0000dab0: 746f 7279 202d 2d3e 0a3c 6720 6964 3d22  tory -->.<g id=\"\n-0000dac0: 6564 6765 3831 2220 636c 6173 733d 2265  edge81\" class=\"e\n-0000dad0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-0000dae0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000daf0: 676d 7861 6e61 2623 3435 3b26 6774 3b6d  gmxana&#45;&gt;m\n-0000db00: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000db10: 735f 7472 616a 6563 746f 7279 3c2f 7469  s_trajectory</ti\n-0000db20: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-0000db30: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-0000db40: 6266 6266 6266 2220 643d 224d 3139 3037  bfbfbf\" d=\"M1907\n-0000db50: 2e39 392c 2d31 3032 322e 3234 4331 3931  .99,-1022.24C191\n-0000db60: 352e 3833 2c2d 3130 3132 2e35 3820 3139  5.83,-1012.58 19\n-0000db70: 3236 2e39 312c 2d39 3938 2e36 3120 3139  26.91,-998.61 19\n-0000db80: 3336 2c2d 3938 352e 3932 2031 3935 352e  36,-985.92 1955.\n-0000db90: 3433 2c2d 3935 382e 3820 3139 3632 2e39  43,-958.8 1962.9\n-0000dba0: 322c 2d39 3533 2e32 3920 3139 3737 2c2d  2,-953.29 1977,-\n-0000dbb0: 3932 332e 3035 2031 3938 392e 3332 2c2d  923.05 1989.32,-\n-0000dbc0: 3839 362e 3539 2031 3938 392e 3437 2c2d  896.59 1989.47,-\n-0000dbd0: 3838 382e 3633 2031 3939 362c 2d38 3630  888.63 1996,-860\n-0000dbe0: 2e31 3820 3230 3038 2e36 362c 2d38 3035  .18 2008.66,-805\n-0000dbf0: 2e30 3320 3230 3131 2e35 342c 2d37 3930  .03 2011.54,-790\n-0000dc00: 2e38 3520 3230 3136 2c2d 3733 342e 3434  .85 2016,-734.44\n-0000dc10: 2032 3033 332e 3135 2c2d 3531 372e 3520   2033.15,-517.5 \n-0000dc20: 3139 3735 2e34 322c 2d32 3536 2e32 3320  1975.42,-256.23 \n-0000dc30: 3139 3536 2e36 382c 2d31 3738 2e38 3222  1956.68,-178.82\"\n-0000dc40: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-0000dc50: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n-0000dc60: 653d 2223 6266 6266 6266 2220 706f 696e  e=\"#bfbfbf\" poin\n-0000dc70: 7473 3d22 3139 3539 2e39 392c 2d31 3737  ts=\"1959.99,-177\n-0000dc80: 2e36 3420 3139 3534 2e32 312c 2d31 3638  .64 1954.21,-168\n-0000dc90: 2e37 3620 3139 3533 2e31 392c 2d31 3739  .76 1953.19,-179\n-0000dca0: 2e33 3120 3139 3539 2e39 392c 2d31 3737  .31 1959.99,-177\n-0000dcb0: 2e36 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .64\"/>.</g>.<!--\n-0000dcc0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-0000dcd0: 6163 735f 676d 7861 6e61 2623 3435 3b26  acs_gmxana&#45;&\n-0000dce0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-0000dcf0: 6f6d 6163 735f 6d64 7370 616e 202d 2d3e  omacs_mdspan -->\n-0000dd00: 0a3c 6720 6964 3d22 6564 6765 3833 2220  .<g id=\"edge83\" \n-0000dd10: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-0000dd20: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-0000dd30: 6772 6f6d 6163 735f 676d 7861 6e61 2623  gromacs_gmxana&#\n-0000dd40: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0000dd50: 635f 6772 6f6d 6163 735f 6d64 7370 616e  c_gromacs_mdspan\n-0000dd60: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-0000dd70: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-0000dd80: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n-0000dd90: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-0000dda0: 3222 2064 3d22 4d31 3933 322e 3936 2c2d  2\" d=\"M1932.96,-\n-0000ddb0: 3130 3332 2e36 3643 3139 3933 2e37 382c  1032.66C1993.78,\n-0000ddc0: 2d31 3032 382e 3839 2032 3131 352e 3038  -1028.89 2115.08\n-0000ddd0: 2c2d 3130 3137 2e35 3220 3231 3431 2c2d  ,-1017.52 2141,-\n-0000dde0: 3938 352e 3932 2032 3134 382e 3537 2c2d  985.92 2148.57,-\n-0000ddf0: 3937 362e 3639 2032 3134 312e 3131 2c2d  976.69 2141.11,-\n-0000de00: 3937 302e 3939 2032 3134 312c 2d39 3539  970.99 2141,-959\n-0000de10: 2e30 3520 3231 3430 2e32 322c 2d38 3735  .05 2140.22,-875\n-0000de20: 2e32 3220 3231 3333 2e31 332c 2d38 3534  .22 2133.13,-854\n-0000de30: 2e31 3420 3231 3338 2c2d 3737 302e 3434  .14 2138,-770.44\n-0000de40: 2032 3134 302e 3839 2c2d 3732 302e 3732   2140.89,-720.72\n-0000de50: 2032 3135 312c 2d37 3038 2e39 3420 3231   2151,-708.94 21\n-0000de60: 3531 2c2d 3635 392e 3134 2032 3135 312c  51,-659.14 2151,\n-0000de70: 2d36 3539 2e31 3420 3231 3531 2c2d 3635  -659.14 2151,-65\n-0000de80: 392e 3134 2032 3135 312c 2d34 3638 2e35  9.14 2151,-468.5\n-0000de90: 3320 3231 3531 2c2d 3338 332e 3720 3231  3 2151,-383.7 21\n-0000dea0: 3131 2c2d 3336 362e 3734 2032 3131 312c  11,-366.74 2111,\n-0000deb0: 2d32 3831 2e39 3220 3231 3131 2c2d 3238  -281.92 2111,-28\n-0000dec0: 312e 3932 2032 3131 312c 2d32 3831 2e39  1.92 2111,-281.9\n-0000ded0: 3220 3231 3131 2c2d 3231 372e 3035 2032  2 2111,-217.05 2\n-0000dee0: 3131 312c 2d31 3735 2e36 2032 3039 322e  111,-175.6 2092.\n-0000def0: 3134 2c2d 3136 322e 3032 2032 3035 362c  14,-162.02 2056,\n-0000df00: 2d31 3431 2e37 3420 3230 3039 2e33 382c  -141.74 2009.38,\n-0000df10: 2d31 3135 2e35 3820 3136 3436 2e32 312c  -115.58 1646.21,\n-0000df20: 2d39 392e 3737 2031 3531 362e 3639 2c2d  -99.77 1516.69,-\n-0000df30: 3934 2e39 3122 2f3e 0a3c 706f 6c79 676f  94.91\"/>.<polygo\n-0000df40: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n-0000df50: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-0000df60: 2220 706f 696e 7473 3d22 3135 3136 2e38  \" points=\"1516.8\n-0000df70: 322c 2d39 312e 3431 2031 3530 362e 372c  2,-91.41 1506.7,\n-0000df80: 2d39 342e 3534 2031 3531 362e 3536 2c2d  -94.54 1516.56,-\n-0000df90: 3938 2e34 3120 3135 3136 2e38 322c 2d39  98.41 1516.82,-9\n-0000dfa0: 312e 3431 222f 3e0a 3c2f 673e 0a3c 212d  1.41\"/>.</g>.<!-\n-0000dfb0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-0000dfc0: 6d61 6373 5f67 6d78 616e 6126 2334 353b  macs_gmxana&#45;\n-0000dfd0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0000dfe0: 726f 6d61 6373 5f67 6d78 6c69 6220 2d2d  romacs_gmxlib --\n-0000dff0: 3e0a 3c67 2069 643d 2265 6467 6538 3622  >.<g id=\"edge86\"\n-0000e000: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-0000e010: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-0000e020: 5f67 726f 6d61 6373 5f67 6d78 616e 6126  _gromacs_gmxana&\n-0000e030: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0000e040: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69  rc_gromacs_gmxli\n-0000e050: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n-0000e060: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-0000e070: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n-0000e080: 4d31 3838 332e 3834 2c2d 3130 3232 2e38  M1883.84,-1022.8\n-0000e090: 3943 3138 3332 2e38 2c2d 3938 322e 3132  9C1832.8,-982.12\n-0000e0a0: 2031 3635 322e 3235 2c2d 3834 322e 3832   1652.25,-842.82\n-0000e0b0: 2031 3438 312c 2d37 3730 2e34 3420 3134   1481,-770.44 14\n-0000e0c0: 3330 2e30 332c 2d37 3438 2e39 2031 3336  30.03,-748.9 136\n-0000e0d0: 372e 3238 2c2d 3733 352e 3335 2031 3332  7.28,-735.35 132\n-0000e0e0: 372e 3435 2c2d 3732 382e 3233 222f 3e0a  7.45,-728.23\"/>.\n-0000e0f0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-0000e100: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n-0000e110: 2362 6662 6662 6622 2070 6f69 6e74 733d  #bfbfbf\" points=\n-0000e120: 2231 3332 372e 382c 2d37 3234 2e37 3420  \"1327.8,-724.74 \n-0000e130: 3133 3137 2e33 342c 2d37 3236 2e34 3720  1317.34,-726.47 \n-0000e140: 3133 3236 2e36 2c2d 3733 312e 3633 2031  1326.6,-731.63 1\n-0000e150: 3332 372e 382c 2d37 3234 2e37 3422 2f3e  327.8,-724.74\"/>\n-0000e160: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-0000e170: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n-0000e180: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64  xana&#45;&gt;mod\n-0000e190: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000e1a0: 6d64 7479 7065 7320 2d2d 3e0a 3c67 2069  mdtypes -->.<g i\n-0000e1b0: 643d 2265 6467 6538 3522 2063 6c61 7373  d=\"edge85\" class\n-0000e1c0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-0000e1d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000e1e0: 6373 5f67 6d78 616e 6126 2334 353b 2667  cs_gmxana&#45;&g\n-0000e1f0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0000e200: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469  macs_mdtypes</ti\n-0000e210: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-0000e220: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-0000e230: 6266 6266 6266 2220 643d 224d 3138 3638  bfbfbf\" d=\"M1868\n-0000e240: 2e30 342c 2d31 3032 382e 3038 4331 3833  .04,-1028.08C183\n-0000e250: 372e 3438 2c2d 3130 3230 2e38 3620 3137  7.48,-1020.86 17\n-0000e260: 3839 2e33 372c 2d31 3030 372e 3138 2031  89.37,-1007.18 1\n-0000e270: 3735 322c 2d39 3835 2e39 3220 3137 3336  752,-985.92 1736\n-0000e280: 2e31 352c 2d39 3736 2e39 3120 3137 3337  .15,-976.91 1737\n-0000e290: 2e35 312c 2d39 3636 2e38 2031 3732 312c  .51,-966.8 1721,\n-0000e2a0: 2d39 3539 2e30 3520 3137 3035 2e37 332c  -959.05 1705.73,\n-0000e2b0: 2d39 3531 2e38 3920 3131 3338 2e31 322c  -951.89 1138.12,\n-0000e2c0: 2d38 3635 2e31 3320 3131 3232 2c2d 3836  -865.13 1122,-86\n-0000e2d0: 302e 3138 2039 3934 2e32 392c 2d38 3231  0.18 994.29,-821\n-0000e2e0: 2e30 3120 3932 312e 3034 2c2d 3834 362e  .01 921.04,-846.\n-0000e2f0: 3934 2038 3439 2c2d 3733 342e 3434 2038  94 849,-734.44 8\n-0000e300: 3238 2e32 372c 2d37 3032 2e30 3620 3838  28.27,-702.06 88\n-0000e310: 302e 3133 2c2d 3638 302e 3235 2039 3230  0.13,-680.25 920\n-0000e320: 2e30 342c 2d36 3638 2e37 3622 2f3e 0a3c  .04,-668.76\"/>.<\n-0000e330: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n-0000e340: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n-0000e350: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n-0000e360: 3932 312e 3136 2c2d 3637 322e 3039 2039  921.16,-672.09 9\n-0000e370: 3239 2e38 382c 2d36 3636 2e30 3720 3931  29.88,-666.07 91\n-0000e380: 392e 3331 2c2d 3636 352e 3334 2039 3231  9.31,-665.34 921\n-0000e390: 2e31 362c 2d36 3732 2e30 3922 2f3e 0a3c  .16,-672.09\"/>.<\n-0000e3a0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-0000e3b0: 7372 635f 6772 6f6d 6163 735f 676d 7861  src_gromacs_gmxa\n-0000e3c0: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c  na&#45;&gt;modul\n-0000e3d0: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n-0000e3e0: 6d6d 616e 646c 696e 6520 2d2d 3e0a 3c67  mmandline -->.<g\n-0000e3f0: 2069 643d 2265 6467 6537 3522 2063 6c61   id=\"edge75\" cla\n-0000e400: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-0000e410: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-0000e420: 6d61 6373 5f67 6d78 616e 6126 2334 353b  macs_gmxana&#45;\n-0000e430: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0000e440: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69  romacs_commandli\n-0000e450: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468  ne</title>.<path\n-0000e460: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-0000e470: 6f6b 653d 2262 6c61 636b 2220 7374 726f  oke=\"black\" stro\n-0000e480: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-0000e490: 3222 2064 3d22 4d31 3933 332e 3233 2c2d  2\" d=\"M1933.23,-\n-0000e4a0: 3130 3333 2e34 3943 3230 3030 2e37 362c  1033.49C2000.76,\n-0000e4b0: 2d31 3033 312e 3033 2032 3134 342e 3534  -1031.03 2144.54\n-0000e4c0: 2c2d 3130 3231 2e36 3220 3231 3736 2c2d  ,-1021.62 2176,-\n-0000e4d0: 3938 352e 3932 2032 3138 332e 3932 2c2d  985.92 2183.92,-\n-0000e4e0: 3937 362e 3933 2032 3138 352e 3039 2c2d  976.93 2185.09,-\n-0000e4f0: 3738 322e 3339 2032 3138 362c 2d37 3730  782.39 2186,-770\n-0000e500: 2e34 3420 3231 3934 2e30 312c 2d36 3634  .44 2194.01,-664\n-0000e510: 2e38 3120 3232 3131 2c2d 3633 392e 3333  .81 2211,-639.33\n-0000e520: 2032 3231 312c 2d35 3333 2e34 2032 3231   2211,-533.4 221\n-0000e530: 312c 2d35 3333 2e34 2032 3231 312c 2d35  1,-533.4 2211,-5\n-0000e540: 3333 2e34 2032 3231 312c 2d32 3137 2e30  33.4 2211,-217.0\n-0000e550: 3520 3232 3131 2c2d 3137 392e 3135 2032  5 2211,-179.15 2\n-0000e560: 3230 312e 362c 2d31 3634 2e31 2032 3137  201.6,-164.1 217\n-0000e570: 312c 2d31 3431 2e37 3420 3231 3338 2e36  1,-141.74 2138.6\n-0000e580: 362c 2d31 3138 2e31 3120 3230 3331 2e35  6,-118.11 2031.5\n-0000e590: 312c 2d31 3034 2e35 3120 3139 3633 2e31  1,-104.51 1963.1\n-0000e5a0: 382c 2d39 382e 3033 222f 3e0a 3c70 6f6c  8,-98.03\"/>.<pol\n-0000e5b0: 7967 6f6e 2066 696c 6c3d 2262 6c61 636b  ygon fill=\"black\n-0000e5c0: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n-0000e5d0: 2070 6f69 6e74 733d 2231 3936 332e 3236   points=\"1963.26\n-0000e5e0: 2c2d 3934 2e35 3220 3139 3532 2e39 382c  ,-94.52 1952.98,\n-0000e5f0: 2d39 372e 3039 2031 3936 322e 3631 2c2d  -97.09 1962.61,-\n-0000e600: 3130 312e 3439 2031 3936 332e 3236 2c2d  101.49 1963.26,-\n-0000e610: 3934 2e35 3222 2f3e 0a3c 2f67 3e0a 3c21  94.52\"/>.</g>.<!\n-0000e620: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-0000e630: 6f6d 6163 735f 676d 7861 6e61 2623 3435  omacs_gmxana&#45\n-0000e640: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0000e650: 6772 6f6d 6163 735f 6c69 7374 6564 5f66  gromacs_listed_f\n-0000e660: 6f72 6365 7320 2d2d 3e0a 3c67 2069 643d  orces -->.<g id=\n-0000e670: 2265 6467 6537 3922 2063 6c61 7373 3d22  \"edge79\" class=\"\n-0000e680: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-0000e690: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000e6a0: 5f67 6d78 616e 6126 2334 353b 2667 743b  _gmxana&#45;&gt;\n-0000e6b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000e6c0: 6373 5f6c 6973 7465 645f 666f 7263 6573  cs_listed_forces\n-0000e6d0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-0000e6e0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-0000e6f0: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n-0000e700: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-0000e710: 3222 2064 3d22 4d31 3839 382e 3534 2c2d  2\" d=\"M1898.54,-\n-0000e720: 3130 3231 2e37 3143 3138 3939 2e38 342c  1021.71C1899.84,\n-0000e730: 2d39 3833 2e32 3120 3139 3031 2e33 392c  -983.21 1901.39,\n-0000e740: 2d38 3634 2e33 3120 3138 3736 2c2d 3737  -864.31 1876,-77\n-0000e750: 302e 3434 2031 3834 382e 3734 2c2d 3636  0.44 1848.74,-66\n-0000e760: 392e 3637 2031 3832 372e 312c 2d36 3332  9.67 1827.1,-632\n-0000e770: 2e38 3120 3137 3336 2c2d 3538 312e 3833  .81 1736,-581.83\n-0000e780: 2031 3435 342e 382c 2d34 3234 2e34 3920   1454.8,-424.49 \n-0000e790: 3133 3636 2e35 2c2d 3431 362e 3439 2031  1366.5,-416.49 1\n-0000e7a0: 3035 362c 2d33 3330 2e33 3520 3938 372e  056,-330.35 987.\n-0000e7b0: 3135 2c2d 3331 312e 3235 2039 3035 2e37  15,-311.25 905.7\n-0000e7c0: 392c 2d32 3937 2e32 3820 3835 332e 3538  9,-297.28 853.58\n-0000e7d0: 2c2d 3238 392e 3338 222f 3e0a 3c70 6f6c  ,-289.38\"/>.<pol\n-0000e7e0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n-0000e7f0: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n-0000e800: 6663 6322 2070 6f69 6e74 733d 2238 3533  fcc\" points=\"853\n-0000e810: 2e39 342c 2d32 3835 2e39 2038 3433 2e35  .94,-285.9 843.5\n-0000e820: 342c 2d32 3837 2e38 3820 3835 322e 3931  4,-287.88 852.91\n-0000e830: 2c2d 3239 322e 3832 2038 3533 2e39 342c  ,-292.82 853.94,\n-0000e840: 2d32 3835 2e39 222f 3e0a 3c2f 673e 0a3c  -285.9\"/>.</g>.<\n-0000e850: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-0000e860: 726f 6d61 6373 5f67 6d78 616e 6126 2334  romacs_gmxana&#4\n-0000e870: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-0000e880: 5f67 726f 6d61 6373 5f72 616e 646f 6d20  _gromacs_random \n-0000e890: 2d2d 3e0a 3c67 2069 643d 2265 6467 6538  -->.<g id=\"edge8\n-0000e8a0: 3222 2063 6c61 7373 3d22 6564 6765 223e  2\" class=\"edge\">\n-0000e8b0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-0000e8c0: 7263 5f67 726f 6d61 6373 5f67 6d78 616e  rc_gromacs_gmxan\n-0000e8d0: 6126 2334 353b 2667 743b 6d6f 6475 6c65  a&#45;&gt;module\n-0000e8e0: 5f73 7263 5f67 726f 6d61 6373 5f72 616e  _src_gromacs_ran\n-0000e8f0: 646f 6d3c 2f74 6974 6c65 3e0a 3c70 6174  dom</title>.<pat\n-0000e900: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-0000e910: 726f 6b65 3d22 626c 6163 6b22 2073 7472  roke=\"black\" str\n-0000e920: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-0000e930: 2c32 2220 643d 224d 3139 3033 2e36 352c  ,2\" d=\"M1903.65,\n-0000e940: 2d31 3032 322e 3033 4331 3931 362e 3134  -1022.03C1916.14\n-0000e950: 2c2d 3939 342e 3032 2031 3934 352e 382c  ,-994.02 1945.8,\n-0000e960: 2d39 3233 2e31 2031 3935 362c 2d38 3630  -923.1 1956,-860\n-0000e970: 2e31 3820 3139 3537 2e39 312c 2d38 3438  .18 1957.91,-848\n-0000e980: 2e33 3920 3139 3536 2e36 312c 2d38 3435  .39 1956.61,-845\n-0000e990: 2e32 3420 3139 3536 2c2d 3833 332e 3331  .24 1956,-833.31\n-0000e9a0: 2031 3934 312e 3637 2c2d 3535 302e 3935   1941.67,-550.95\n-0000e9b0: 2031 3935 332e 3334 2c2d 3437 312e 3134   1953.34,-471.14\n-0000e9c0: 2031 3835 392c 2d32 3034 2e36 3120 3138   1859,-204.61 18\n-0000e9d0: 3535 2e37 332c 2d31 3935 2e33 3820 3138  55.73,-195.38 18\n-0000e9e0: 3531 2e30 322c 2d31 3835 2e36 3920 3138  51.02,-185.69 18\n-0000e9f0: 3436 2e35 372c 2d31 3737 2e34 3322 2f3e  46.57,-177.43\"/>\n-0000ea00: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-0000ea10: 626c 6163 6b22 2073 7472 6f6b 653d 2262  black\" stroke=\"b\n-0000ea20: 6c61 636b 2220 706f 696e 7473 3d22 3138  lack\" points=\"18\n-0000ea30: 3439 2e35 2c2d 3137 352e 3531 2031 3834  49.5,-175.51 184\n-0000ea40: 312e 3536 2c2d 3136 382e 3520 3138 3433  1.56,-168.5 1843\n-0000ea50: 2e34 2c2d 3137 382e 3933 2031 3834 392e  .4,-178.93 1849.\n-0000ea60: 352c 2d31 3735 2e35 3122 2f3e 0a3c 2f67  5,-175.51\"/>.</g\n-0000ea70: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-0000ea80: 635f 6772 6f6d 6163 735f 636f 7272 656c  c_gromacs_correl\n-0000ea90: 6174 696f 6e66 756e 6374 696f 6e73 202d  ationfunctions -\n-0000eaa0: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3433  ->.<g id=\"node43\n-0000eab0: 2220 636c 6173 733d 226e 6f64 6522 3e0a  \" class=\"node\">.\n-0000eac0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-0000ead0: 635f 6772 6f6d 6163 735f 636f 7272 656c  c_gromacs_correl\n-0000eae0: 6174 696f 6e66 756e 6374 696f 6e73 3c2f  ationfunctions</\n-0000eaf0: 7469 746c 653e 0a3c 6720 6964 3d22 615f  title>.<g id=\"a_\n-0000eb00: 6e6f 6465 3433 223e 3c61 2078 6c69 6e6b  node43\"><a xlink\n-0000eb10: 3a68 7265 663d 2267 726f 7570 5f5f 6d6f  :href=\"group__mo\n-0000eb20: 6475 6c65 5f5f 636f 7272 656c 6174 696f  dule__correlatio\n-0000eb30: 6e66 756e 6374 696f 6e73 2e78 6874 6d6c  nfunctions.xhtml\n-0000eb40: 2220 7461 7267 6574 3d22 5f74 6f70 2220  \" target=\"_top\" \n-0000eb50: 786c 696e 6b3a 7469 746c 653d 2263 6f72  xlink:title=\"cor\n-0000eb60: 7265 6c61 7469 6f6e 6675 6e63 7469 6f6e  relationfunction\n-0000eb70: 7322 3e0a 3c65 6c6c 6970 7365 2066 696c  s\">.<ellipse fil\n-0000eb80: 6c3d 2223 6666 6363 6363 2220 7374 726f  l=\"#ffcccc\" stro\n-0000eb90: 6b65 3d22 626c 6163 6b22 2063 783d 2232  ke=\"black\" cx=\"2\n-0000eba0: 3036 3122 2063 793d 222d 3937 322e 3439  061\" cy=\"-972.49\n-0000ebb0: 2220 7278 3d22 3731 2e33 3422 2072 793d  \" rx=\"71.34\" ry=\n-0000ebc0: 2231 332e 3337 222f 3e0a 3c74 6578 7420  \"13.37\"/>.<text \n-0000ebd0: 7465 7874 2d61 6e63 686f 723d 226d 6964  text-anchor=\"mid\n-0000ebe0: 646c 6522 2078 3d22 3230 3631 2220 793d  dle\" x=\"2061\" y=\n-0000ebf0: 222d 3936 392e 3939 2220 666f 6e74 2d66  \"-969.99\" font-f\n-0000ec00: 616d 696c 793d 2246 7265 6553 616e 7322  amily=\"FreeSans\"\n-0000ec10: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30   font-size=\"10.0\n-0000ec20: 3022 3e63 6f72 7265 6c61 7469 6f6e 6675  0\">correlationfu\n-0000ec30: 6e63 7469 6f6e 733c 2f74 6578 743e 0a3c  nctions</text>.<\n-0000ec40: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21  /a>.</g>.</g>.<!\n-0000ec50: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-0000ec60: 6f6d 6163 735f 676d 7861 6e61 2623 3435  omacs_gmxana&#45\n-0000ec70: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0000ec80: 6772 6f6d 6163 735f 636f 7272 656c 6174  gromacs_correlat\n-0000ec90: 696f 6e66 756e 6374 696f 6e73 202d 2d3e  ionfunctions -->\n-0000eca0: 0a3c 6720 6964 3d22 6564 6765 3737 2220  .<g id=\"edge77\" \n-0000ecb0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-0000ecc0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-0000ecd0: 6772 6f6d 6163 735f 676d 7861 6e61 2623  gromacs_gmxana&#\n-0000ece0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0000ecf0: 635f 6772 6f6d 6163 735f 636f 7272 656c  c_gromacs_correl\n-0000ed00: 6174 696f 6e66 756e 6374 696f 6e73 3c2f  ationfunctions</\n-0000ed10: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-0000ed20: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-0000ed30: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-0000ed40: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n-0000ed50: 2064 3d22 4d31 3932 322e 3035 2c2d 3130   d=\"M1922.05,-10\n-0000ed60: 3235 2e33 3743 3139 3438 2e31 2c2d 3130  25.37C1948.1,-10\n-0000ed70: 3135 2e36 3520 3139 3930 2e30 382c 2d39  15.65 1990.08,-9\n-0000ed80: 3939 2e39 3720 3230 3231 2e30 392c 2d39  99.97 2021.09,-9\n-0000ed90: 3838 2e33 3922 2f3e 0a3c 706f 6c79 676f  88.39\"/>.<polygo\n-0000eda0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n-0000edb0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-0000edc0: 2220 706f 696e 7473 3d22 3230 3232 2e36  \" points=\"2022.6\n-0000edd0: 2c2d 3939 312e 3536 2032 3033 302e 3734  ,-991.56 2030.74\n-0000ede0: 2c2d 3938 342e 3739 2032 3032 302e 3135  ,-984.79 2020.15\n-0000edf0: 2c2d 3938 352e 3031 2032 3032 322e 362c  ,-985.01 2022.6,\n-0000ee00: 2d39 3931 2e35 3622 2f3e 0a3c 2f67 3e0a  -991.56\"/>.</g>.\n-0000ee10: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-0000ee20: 6772 6f6d 6163 735f 676d 7861 6e61 2623  gromacs_gmxana&#\n-0000ee30: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0000ee40: 635f 6772 6f6d 6163 735f 6669 6c65 696f  c_gromacs_fileio\n-0000ee50: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-0000ee60: 3736 2220 636c 6173 733d 2265 6467 6522  76\" class=\"edge\"\n-0000ee70: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-0000ee80: 7372 635f 6772 6f6d 6163 735f 676d 7861  src_gromacs_gmxa\n-0000ee90: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c  na&#45;&gt;modul\n-0000eea0: 655f 7372 635f 6772 6f6d 6163 735f 6669  e_src_gromacs_fi\n-0000eeb0: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061  leio</title>.<pa\n-0000eec0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-0000eed0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-0000eee0: 643d 224d 3138 3738 2e32 332c 2d31 3032  d=\"M1878.23,-102\n-0000eef0: 342e 3031 4331 3835 392e 3539 2c2d 3130  4.01C1859.59,-10\n-0000ef00: 3134 2e32 3420 3138 3330 2e38 362c 2d39  14.24 1830.86,-9\n-0000ef10: 3939 2e31 3420 3138 3036 2c2d 3938 352e  99.14 1806,-985.\n-0000ef20: 3932 2031 3738 332e 3733 2c2d 3937 342e  92 1783.73,-974.\n-0000ef30: 3037 2031 3737 392e 3537 2c2d 3936 382e  07 1779.57,-968.\n-0000ef40: 3035 2031 3735 362c 2d39 3539 2e30 3520  05 1756,-959.05 \n-0000ef50: 3136 3939 2e38 362c 2d39 3337 2e36 3120  1699.86,-937.61 \n-0000ef60: 3136 3331 2e31 382c 2d39 3233 2e35 2031  1631.18,-923.5 1\n-0000ef70: 3539 302e 3337 2c2d 3931 362e 3322 2f3e  590.37,-916.3\"/>\n-0000ef80: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-0000ef90: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n-0000efa0: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n-0000efb0: 3d22 3135 3930 2e38 332c 2d39 3132 2e38  =\"1590.83,-912.8\n-0000efc0: 3320 3135 3830 2e33 382c 2d39 3134 2e35  3 1580.38,-914.5\n-0000efd0: 3820 3135 3839 2e36 342c 2d39 3139 2e37  8 1589.64,-919.7\n-0000efe0: 3220 3135 3930 2e38 332c 2d39 3132 2e38  2 1590.83,-912.8\n-0000eff0: 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  3\"/>.</g>.<!-- m\n-0000f000: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000f010: 735f 676d 7861 6e61 2623 3435 3b26 6774  s_gmxana&#45;&gt\n-0000f020: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0000f030: 6163 735f 7374 6174 6973 7469 6373 202d  acs_statistics -\n-0000f040: 2d3e 0a3c 6720 6964 3d22 6564 6765 3830  ->.<g id=\"edge80\n-0000f050: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-0000f060: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-0000f070: 635f 6772 6f6d 6163 735f 676d 7861 6e61  c_gromacs_gmxana\n-0000f080: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0000f090: 7372 635f 6772 6f6d 6163 735f 7374 6174  src_gromacs_stat\n-0000f0a0: 6973 7469 6373 3c2f 7469 746c 653e 0a3c  istics</title>.<\n-0000f0b0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-0000f0c0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-0000f0d0: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-0000f0e0: 6179 3d22 352c 3222 2064 3d22 4d31 3837  ay=\"5,2\" d=\"M187\n-0000f0f0: 302e 3239 2c2d 3130 3236 2e38 3943 3138  0.29,-1026.89C18\n-0000f100: 3330 2e35 312c 2d31 3031 362e 3138 2031  30.51,-1016.18 1\n-0000f110: 3735 372e 3032 2c2d 3939 362e 3339 2031  757.02,-996.39 1\n-0000f120: 3731 312e 3535 2c2d 3938 342e 3134 222f  711.55,-984.14\"/\n-0000f130: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-0000f140: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-0000f150: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n-0000f160: 733d 2231 3731 322e 332c 2d39 3830 2e37  s=\"1712.3,-980.7\n-0000f170: 3220 3137 3031 2e37 332c 2d39 3831 2e34  2 1701.73,-981.4\n-0000f180: 3920 3137 3130 2e34 382c 2d39 3837 2e34  9 1710.48,-987.4\n-0000f190: 3720 3137 3132 2e33 2c2d 3938 302e 3732  7 1712.3,-980.72\n-0000f1a0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-0000f1b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000f1c0: 5f67 6d78 616e 6126 2334 353b 2667 743b  _gmxana&#45;&gt;\n-0000f1d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000f1e0: 6373 5f61 7070 6c69 6564 5f66 6f72 6365  cs_applied_force\n-0000f1f0: 735f 6177 6820 2d2d 3e0a 3c67 2069 643d  s_awh -->.<g id=\n-0000f200: 2265 6467 6538 3722 2063 6c61 7373 3d22  \"edge87\" class=\"\n-0000f210: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-0000f220: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000f230: 5f67 6d78 616e 6126 2334 353b 2667 743b  _gmxana&#45;&gt;\n-0000f240: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000f250: 6373 5f61 7070 6c69 6564 5f66 6f72 6365  cs_applied_force\n-0000f260: 735f 6177 683c 2f74 6974 6c65 3e0a 3c70  s_awh</title>.<p\n-0000f270: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-0000f280: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-0000f290: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-0000f2a0: 793d 2235 2c32 2220 643d 224d 3138 3839  y=\"5,2\" d=\"M1889\n-0000f2b0: 2e36 372c 2d31 3032 322e 3133 4331 3838  .67,-1022.13C188\n-0000f2c0: 332e 3131 2c2d 3130 3132 2e34 2031 3837  3.11,-1012.4 187\n-0000f2d0: 332e 382c 2d39 3938 2e34 2031 3836 362c  3.8,-998.4 1866,\n-0000f2e0: 2d39 3835 2e39 3220 3138 3234 2e32 382c  -985.92 1824.28,\n-0000f2f0: 2d39 3139 2e31 3420 3138 3137 2e31 362c  -919.14 1817.16,\n-0000f300: 2d39 3030 2e34 3420 3137 3736 2c2d 3833  -900.44 1776,-83\n-0000f310: 332e 3331 2031 3732 362e 3535 2c2d 3735  3.31 1726.55,-75\n-0000f320: 322e 3635 2031 3636 352e 3338 2c2d 3635  2.65 1665.38,-65\n-0000f330: 382e 3139 2031 3633 382e 3632 2c2d 3631  8.19 1638.62,-61\n-0000f340: 372e 3131 222f 3e0a 3c70 6f6c 7967 6f6e  7.11\"/>.<polygon\n-0000f350: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n-0000f360: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-0000f370: 2070 6f69 6e74 733d 2231 3634 312e 342c   points=\"1641.4,\n-0000f380: 2d36 3134 2e39 3720 3136 3333 2e30 312c  -614.97 1633.01,\n-0000f390: 2d36 3038 2e35 3120 3136 3335 2e35 342c  -608.51 1635.54,\n-0000f3a0: 2d36 3138 2e38 2031 3634 312e 342c 2d36  -618.8 1641.4,-6\n-0000f3b0: 3134 2e39 3722 2f3e 0a3c 2f67 3e0a 3c21  14.97\"/>.</g>.<!\n-0000f3c0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-0000f3d0: 6f6d 6163 735f 7369 6d64 202d 2d3e 0a3c  omacs_simd -->.<\n-0000f3e0: 6720 6964 3d22 6e6f 6465 3135 2220 636c  g id=\"node15\" cl\n-0000f3f0: 6173 733d 226e 6f64 6522 3e0a 3c74 6974  ass=\"node\">.<tit\n-0000f400: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-0000f410: 6f6d 6163 735f 7369 6d64 3c2f 7469 746c  omacs_simd</titl\n-0000f420: 653e 0a3c 6720 6964 3d22 615f 6e6f 6465  e>.<g id=\"a_node\n-0000f430: 3135 223e 3c61 2078 6c69 6e6b 3a68 7265  15\"><a xlink:hre\n-0000f440: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65  f=\"group__module\n-0000f450: 5f5f 7369 6d64 2e78 6874 6d6c 2220 7461  __simd.xhtml\" ta\n-0000f460: 7267 6574 3d22 5f74 6f70 2220 786c 696e  rget=\"_top\" xlin\n-0000f470: 6b3a 7469 746c 653d 2273 696d 6422 3e0a  k:title=\"simd\">.\n-0000f480: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223  <ellipse fill=\"#\n-0000f490: 6666 6534 6363 2220 7374 726f 6b65 3d22  ffe4cc\" stroke=\"\n-0000f4a0: 626c 6163 6b22 2063 783d 2238 3931 2220  black\" cx=\"891\" \n-0000f4b0: 6379 3d22 2d31 3232 332e 3937 2220 7278  cy=\"-1223.97\" rx\n-0000f4c0: 3d22 3237 2220 7279 3d22 3133 2e33 3722  =\"27\" ry=\"13.37\"\n-0000f4d0: 2f3e 0a3c 7465 7874 2074 6578 742d 616e  />.<text text-an\n-0000f4e0: 6368 6f72 3d22 6d69 6464 6c65 2220 783d  chor=\"middle\" x=\n-0000f4f0: 2238 3931 2220 793d 222d 3132 3231 2e34  \"891\" y=\"-1221.4\n-0000f500: 3722 2066 6f6e 742d 6661 6d69 6c79 3d22  7\" font-family=\"\n-0000f510: 4672 6565 5361 6e73 2220 666f 6e74 2d73  FreeSans\" font-s\n-0000f520: 697a 653d 2231 302e 3030 223e 7369 6d64  ize=\"10.00\">simd\n-0000f530: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67  </text>.</a>.</g\n-0000f540: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-0000f550: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n-0000f560: 6173 6b61 7373 6967 6e6d 656e 7426 2334  askassignment&#4\n-0000f570: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-0000f580: 5f67 726f 6d61 6373 5f65 7373 656e 7469  _gromacs_essenti\n-0000f590: 616c 6479 6e61 6d69 6373 202d 2d3e 0a3c  aldynamics -->.<\n-0000f5a0: 6720 6964 3d22 6564 6765 3838 2220 636c  g id=\"edge88\" cl\n-0000f5b0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-0000f5c0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-0000f5d0: 6f6d 6163 735f 7461 736b 6173 7369 676e  omacs_taskassign\n-0000f5e0: 6d65 6e74 2623 3435 3b26 6774 3b6d 6f64  ment&#45;&gt;mod\n-0000f5f0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000f600: 6573 7365 6e74 6961 6c64 796e 616d 6963  essentialdynamic\n-0000f610: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820  s</title>.<path \n-0000f620: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-0000f630: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n-0000f640: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-0000f650: 2c32 2220 643d 224d 3533 332e 3738 2c2d  ,2\" d=\"M533.78,-\n-0000f660: 3737 302e 3336 4335 3233 2e33 352c 2d37  770.36C523.35,-7\n-0000f670: 3435 2e37 3120 3439 382e 3639 2c2d 3638  45.71 498.69,-68\n-0000f680: 392e 3432 2034 3733 2c2d 3634 342e 3720  9.42 473,-644.7 \n-0000f690: 3436 372e 3539 2c2d 3633 352e 3238 2033  467.59,-635.28 3\n-0000f6a0: 3636 2e32 2c2d 3439 332e 3335 2033 3633  66.2,-493.35 363\n-0000f6b0: 2c2d 3438 322e 3936 2033 3331 2e36 362c  ,-482.96 331.66,\n-0000f6c0: 2d33 3831 2e31 3420 3337 342e 3837 2c2d  -381.14 374.87,-\n-0000f6d0: 3331 392e 3232 2034 3638 2c2d 3236 372e  319.22 468,-267.\n-0000f6e0: 3438 2035 3338 2e37 362c 2d32 3238 2e31  48 538.76,-228.1\n-0000f6f0: 3720 3130 3833 2e38 352c 2d31 3738 2e39  7 1083.85,-178.9\n-0000f700: 3120 3132 3832 2e31 362c 2d31 3632 2e31  1 1282.16,-162.1\n-0000f710: 3122 2f3e 0a3c 706f 6c79 676f 6e20 6669  1\"/>.<polygon fi\n-0000f720: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n-0000f730: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n-0000f740: 696e 7473 3d22 3132 3832 2e35 312c 2d31  ints=\"1282.51,-1\n-0000f750: 3635 2e35 3920 3132 3932 2e31 382c 2d31  65.59 1292.18,-1\n-0000f760: 3631 2e32 3620 3132 3831 2e39 332c 2d31  61.26 1281.93,-1\n-0000f770: 3538 2e36 3120 3132 3832 2e35 312c 2d31  58.61 1282.51,-1\n-0000f780: 3635 2e35 3922 2f3e 0a3c 2f67 3e0a 3c21  65.59\"/>.</g>.<!\n-0000f790: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-0000f7a0: 6f6d 6163 735f 7461 736b 6173 7369 676e  omacs_taskassign\n-0000f7b0: 6d65 6e74 2623 3435 3b26 6774 3b6d 6f64  ment&#45;&gt;mod\n-0000f7c0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000f7d0: 646f 6d64 6563 202d 2d3e 0a3c 6720 6964  domdec -->.<g id\n-0000f7e0: 3d22 6564 6765 3934 2220 636c 6173 733d  =\"edge94\" class=\n-0000f7f0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-0000f800: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000f810: 735f 7461 736b 6173 7369 676e 6d65 6e74  s_taskassignment\n-0000f820: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0000f830: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n-0000f840: 6563 3c2f 7469 746c 653e 0a3c 7061 7468  ec</title>.<path\n-0000f850: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-0000f860: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n-0000f870: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n-0000f880: 352c 3222 2064 3d22 4d35 3438 2e37 342c  5,2\" d=\"M548.74,\n-0000f890: 2d37 3937 2e34 3143 3537 332e 3335 2c2d  -797.41C573.35,-\n-0000f8a0: 3832 392e 3039 2036 3338 2e32 332c 2d39  829.09 638.23,-9\n-0000f8b0: 3132 2e35 3820 3636 382e 332c 2d39 3531  12.58 668.3,-951\n-0000f8c0: 2e32 3722 2f3e 0a3c 706f 6c79 676f 6e20  .27\"/>.<polygon \n-0000f8d0: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n-0000f8e0: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-0000f8f0: 706f 696e 7473 3d22 3636 352e 3539 2c2d  points=\"665.59,-\n-0000f900: 3935 332e 3439 2036 3734 2e34 392c 2d39  953.49 674.49,-9\n-0000f910: 3539 2e32 3420 3637 312e 3131 2c2d 3934  59.24 671.11,-94\n-0000f920: 392e 3220 3636 352e 3539 2c2d 3935 332e  9.2 665.59,-953.\n-0000f930: 3439 222f 3e0a 3c2f 673e 0a3c 212d 2d20  49\"/>.</g>.<!-- \n-0000f940: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000f950: 6373 5f74 6173 6b61 7373 6967 6e6d 656e  cs_taskassignmen\n-0000f960: 7426 2334 353b 2667 743b 6d6f 6475 6c65  t&#45;&gt;module\n-0000f970: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c  _src_gromacs_mdl\n-0000f980: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564  ib -->.<g id=\"ed\n-0000f990: 6765 3931 2220 636c 6173 733d 2265 6467  ge91\" class=\"edg\n-0000f9a0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-0000f9b0: 655f 7372 635f 6772 6f6d 6163 735f 7461  e_src_gromacs_ta\n-0000f9c0: 736b 6173 7369 676e 6d65 6e74 2623 3435  skassignment&#45\n-0000f9d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0000f9e0: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74  gromacs_mdlib</t\n-0000f9f0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-0000fa00: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-0000fa10: 2362 6662 6662 6622 2064 3d22 4d35 3339  #bfbfbf\" d=\"M539\n-0000fa20: 2c2d 3737 302e 3332 4335 3338 2e37 332c  ,-770.32C538.73,\n-0000fa30: 2d37 3233 2e31 3120 3533 352e 342c 2d35  -723.11 535.4,-5\n-0000fa40: 3537 2e30 3520 3530 322c 2d35 3138 2e39  57.05 502,-518.9\n-0000fa50: 3620 3436 322e 3437 2c2d 3437 332e 3839  6 462.47,-473.89\n-0000fa60: 2034 3038 2e33 2c2d 3533 302e 3638 2033   408.3,-530.68 3\n-0000fa70: 3732 2c2d 3438 322e 3936 2033 3532 2e31  72,-482.96 352.1\n-0000fa80: 2c2d 3435 362e 3820 3339 322e 3935 2c2d  ,-456.8 392.95,-\n-0000fa90: 3337 342e 3836 2034 3438 2c2d 3333 302e  374.86 448,-330.\n-0000faa0: 3335 2035 3632 2e36 392c 2d32 3337 2e36  35 562.69,-237.6\n-0000fab0: 3320 3130 3431 2e31 332c 2d32 3232 2e31  3 1041.13,-222.1\n-0000fac0: 3120 3131 3831 2e32 372c 2d32 3139 2e35  1 1181.27,-219.5\n-0000fad0: 3522 2f3e 0a3c 706f 6c79 676f 6e20 6669  5\"/>.<polygon fi\n-0000fae0: 6c6c 3d22 2362 6662 6662 6622 2073 7472  ll=\"#bfbfbf\" str\n-0000faf0: 6f6b 653d 2223 6266 6266 6266 2220 706f  oke=\"#bfbfbf\" po\n-0000fb00: 696e 7473 3d22 3131 3831 2e35 382c 2d32  ints=\"1181.58,-2\n-0000fb10: 3233 2e30 3420 3131 3931 2e35 322c 2d32  23.04 1191.52,-2\n-0000fb20: 3139 2e33 3720 3131 3831 2e34 362c 2d32  19.37 1181.46,-2\n-0000fb30: 3136 2e30 3420 3131 3831 2e35 382c 2d32  16.04 1181.58,-2\n-0000fb40: 3233 2e30 3422 2f3e 0a3c 2f67 3e0a 3c21  23.04\"/>.</g>.<!\n-0000fb50: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-0000fb60: 6f6d 6163 735f 7461 736b 6173 7369 676e  omacs_taskassign\n-0000fb70: 6d65 6e74 2623 3435 3b26 6774 3b6d 6f64  ment&#45;&gt;mod\n-0000fb80: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000fb90: 6861 7264 7761 7265 202d 2d3e 0a3c 6720  hardware -->.<g \n-0000fba0: 6964 3d22 6564 6765 3933 2220 636c 6173  id=\"edge93\" clas\n-0000fbb0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-0000fbc0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-0000fbd0: 6163 735f 7461 736b 6173 7369 676e 6d65  acs_taskassignme\n-0000fbe0: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c  nt&#45;&gt;modul\n-0000fbf0: 655f 7372 635f 6772 6f6d 6163 735f 6861  e_src_gromacs_ha\n-0000fc00: 7264 7761 7265 3c2f 7469 746c 653e 0a3c  rdware</title>.<\n-0000fc10: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-0000fc20: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n-0000fc30: 2220 643d 224d 3534 352e 3038 2c2d 3737  \" d=\"M545.08,-77\n-0000fc40: 302e 3343 3536 332e 3633 2c2d 3732 392e  0.3C563.63,-729.\n-0000fc50: 3935 2036 3135 2e30 382c 2d36 3031 2e35  95 615.08,-601.5\n-0000fc60: 3720 3536 322c 2d35 3138 2e39 3620 3535  7 562,-518.96 55\n-0000fc70: 332e 3939 2c2d 3530 362e 3439 2035 3230  3.99,-506.49 520\n-0000fc80: 2e34 332c 2d34 3932 2e34 3320 3439 332e  .43,-492.43 493.\n-0000fc90: 3139 2c2d 3438 322e 3638 222f 3e0a 3c70  19,-482.68\"/>.<p\n-0000fca0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n-0000fcb0: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n-0000fcc0: 6662 6662 6622 2070 6f69 6e74 733d 2234  fbfbf\" points=\"4\n-0000fcd0: 3934 2e30 392c 2d34 3739 2e32 3920 3438  94.09,-479.29 48\n-0000fce0: 332e 352c 2d34 3739 2e33 2034 3931 2e37  3.5,-479.3 491.7\n-0000fcf0: 382c 2d34 3835 2e39 2034 3934 2e30 392c  8,-485.9 494.09,\n-0000fd00: 2d34 3739 2e32 3922 2f3e 0a3c 2f67 3e0a  -479.29\"/>.</g>.\n-0000fd10: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-0000fd20: 6772 6f6d 6163 735f 7461 736b 6173 7369  gromacs_taskassi\n-0000fd30: 676e 6d65 6e74 2623 3435 3b26 6774 3b6d  gnment&#45;&gt;m\n-0000fd40: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000fd50: 735f 6770 755f 7574 696c 7320 2d2d 3e0a  s_gpu_utils -->.\n-0000fd60: 3c67 2069 643d 2265 6467 6539 3722 2063  <g id=\"edge97\" c\n-0000fd70: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-0000fd80: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-0000fd90: 726f 6d61 6373 5f74 6173 6b61 7373 6967  romacs_taskassig\n-0000fda0: 6e6d 656e 7426 2334 353b 2667 743b 6d6f  nment&#45;&gt;mo\n-0000fdb0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000fdc0: 5f67 7075 5f75 7469 6c73 3c2f 7469 746c  _gpu_utils</titl\n-0000fdd0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-0000fde0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n-0000fdf0: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n-0000fe00: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n-0000fe10: 4d35 3438 2e36 312c 2d37 3730 2e33 3543  M548.61,-770.35C\n-0000fe20: 3535 352e 3434 2c2d 3736 302e 3933 2035  555.44,-760.93 5\n-0000fe30: 3634 2e33 362c 2d37 3437 2e34 3520 3537  64.36,-747.45 57\n-0000fe40: 302c 2d37 3334 2e34 3420 3631 362e 3535  0,-734.44 616.55\n-0000fe50: 2c2d 3632 372e 3132 2036 3238 2e32 352c  ,-627.12 628.25,\n-0000fe60: 2d34 3835 2036 3331 2e31 312c 2d34 3330  -485 631.11,-430\n-0000fe70: 2e33 3822 2f3e 0a3c 706f 6c79 676f 6e20  .38\"/>.<polygon \n-0000fe80: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n-0000fe90: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-0000fea0: 706f 696e 7473 3d22 3633 342e 3632 2c2d  points=\"634.62,-\n-0000feb0: 3433 302e 3235 2036 3331 2e35 392c 2d34  430.25 631.59,-4\n-0000fec0: 3230 2e30 3920 3632 372e 3633 2c2d 3432  20.09 627.63,-42\n-0000fed0: 392e 3932 2036 3334 2e36 322c 2d34 3330  9.92 634.62,-430\n-0000fee0: 2e32 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .25\"/>.</g>.<!--\n-0000fef0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-0000ff00: 6163 735f 7461 736b 6173 7369 676e 6d65  acs_taskassignme\n-0000ff10: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c  nt&#45;&gt;modul\n-0000ff20: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n-0000ff30: 786c 6962 202d 2d3e 0a3c 6720 6964 3d22  xlib -->.<g id=\"\n-0000ff40: 6564 6765 3935 2220 636c 6173 733d 2265  edge95\" class=\"e\n-0000ff50: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-0000ff60: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000ff70: 7461 736b 6173 7369 676e 6d65 6e74 2623  taskassignment&#\n-0000ff80: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0000ff90: 635f 6772 6f6d 6163 735f 676d 786c 6962  c_gromacs_gmxlib\n-0000ffa0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-0000ffb0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-0000ffc0: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n-0000ffd0: 3539 342e 3638 2c2d 3737 382e 3335 4337  594.68,-778.35C7\n-0000ffe0: 3338 2e37 392c 2d37 3636 2e36 3420 3131  38.79,-766.64 11\n-0000fff0: 3231 2e34 362c 2d37 3335 2e35 3420 3132  21.46,-735.54 12\n-00010000: 3437 2e32 372c 2d37 3235 2e33 3222 2f3e  47.27,-725.32\"/>\n-00010010: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-00010020: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n-00010030: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n-00010040: 3d22 3132 3437 2e35 382c 2d37 3238 2e38  =\"1247.58,-728.8\n-00010050: 2031 3235 372e 3236 2c2d 3732 342e 3520   1257.26,-724.5 \n-00010060: 3132 3437 2e30 312c 2d37 3231 2e38 3320  1247.01,-721.83 \n-00010070: 3132 3437 2e35 382c 2d37 3238 2e38 222f  1247.58,-728.8\"/\n-00010080: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00010090: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n-000100a0: 6173 6b61 7373 6967 6e6d 656e 7426 2334  askassignment&#4\n-000100b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-000100c0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573  _gromacs_mdtypes\n-000100d0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-000100e0: 3932 2220 636c 6173 733d 2265 6467 6522  92\" class=\"edge\"\n-000100f0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00010100: 7372 635f 6772 6f6d 6163 735f 7461 736b  src_gromacs_task\n-00010110: 6173 7369 676e 6d65 6e74 2623 3435 3b26  assignment&#45;&\n-00010120: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00010130: 6f6d 6163 735f 6d64 7479 7065 733c 2f74  omacs_mdtypes</t\n-00010140: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-00010150: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-00010160: 2362 6662 6662 6622 2064 3d22 4d35 3939  #bfbfbf\" d=\"M599\n-00010170: 2e35 342c 2d37 3832 2e33 3843 3639 352e  .54,-782.38C695.\n-00010180: 3337 2c2d 3738 302e 3435 2038 3736 2e33  37,-780.45 876.3\n-00010190: 332c 2d37 3731 2e38 3120 3932 372c 2d37  3,-771.81 927,-7\n-000101a0: 3334 2e34 3420 3934 342e 3032 2c2d 3732  34.44 944.02,-72\n-000101b0: 312e 3839 2039 3532 2e37 312c 2d36 3938  1.89 952.71,-698\n-000101c0: 2e38 3320 3935 372e 3032 2c2d 3638 312e  .83 957.02,-681.\n-000101d0: 3532 222f 3e0a 3c70 6f6c 7967 6f6e 2066  52\"/>.<polygon f\n-000101e0: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n-000101f0: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n-00010200: 6f69 6e74 733d 2239 3630 2e34 372c 2d36  oints=\"960.47,-6\n-00010210: 3832 2e31 3420 3935 392e 3138 2c2d 3637  82.14 959.18,-67\n-00010220: 312e 3633 2039 3533 2e36 332c 2d36 3830  1.63 953.63,-680\n-00010230: 2e36 3520 3936 302e 3437 2c2d 3638 322e  .65 960.47,-682.\n-00010240: 3134 222f 3e0a 3c2f 673e 0a3c 212d 2d20  14\"/>.</g>.<!-- \n-00010250: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00010260: 6373 5f74 6173 6b61 7373 6967 6e6d 656e  cs_taskassignmen\n-00010270: 7426 2334 353b 2667 743b 6d6f 6475 6c65  t&#45;&gt;module\n-00010280: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472  _src_gromacs_mdr\n-00010290: 756e 7574 696c 6974 7920 2d2d 3e0a 3c67  unutility -->.<g\n-000102a0: 2069 643d 2265 6467 6539 3622 2063 6c61   id=\"edge96\" cla\n-000102b0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-000102c0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-000102d0: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d  macs_taskassignm\n-000102e0: 656e 7426 2334 353b 2667 743b 6d6f 6475  ent&#45;&gt;modu\n-000102f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-00010300: 6472 756e 7574 696c 6974 793c 2f74 6974  drunutility</tit\n-00010310: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-00010320: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n-00010330: 3832 6663 6322 2073 7472 6f6b 652d 6461  82fcc\" stroke-da\n-00010340: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n-00010350: 224d 3536 352e 3737 2c2d 3737 312e 3739  \"M565.77,-771.79\n-00010360: 4336 3437 2e35 352c 2d37 3338 2e33 3420  C647.55,-738.34 \n-00010370: 3930 312e 3831 2c2d 3633 372e 3239 2031  901.81,-637.29 1\n-00010380: 3132 312c 2d35 3831 2e38 3320 3131 3835  121,-581.83 1185\n-00010390: 2e38 382c 2d35 3635 2e34 3220 3132 3631  .88,-565.42 1261\n-000103a0: 2e37 392c 2d35 3530 2e37 3420 3133 3130  .79,-550.74 1310\n-000103b0: 2e31 322c 2d35 3431 2e39 3522 2f3e 0a3c  .12,-541.95\"/>.<\n-000103c0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n-000103d0: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n-000103e0: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n-000103f0: 3133 3130 2e37 382c 2d35 3435 2e33 3920  1310.78,-545.39 \n-00010400: 3133 3230 2c2d 3534 302e 3137 2031 3330  1320,-540.17 130\n-00010410: 392e 3533 2c2d 3533 382e 3520 3133 3130  9.53,-538.5 1310\n-00010420: 2e37 382c 2d35 3435 2e33 3922 2f3e 0a3c  .78,-545.39\"/>.<\n-00010430: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-00010440: 7372 635f 6772 6f6d 6163 735f 7461 736b  src_gromacs_task\n-00010450: 6173 7369 676e 6d65 6e74 2623 3435 3b26  assignment&#45;&\n-00010460: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00010470: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72  omacs_listed_for\n-00010480: 6365 7320 2d2d 3e0a 3c67 2069 643d 2265  ces -->.<g id=\"e\n-00010490: 6467 6539 3022 2063 6c61 7373 3d22 6564  dge90\" class=\"ed\n-000104a0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-000104b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n-000104c0: 6173 6b61 7373 6967 6e6d 656e 7426 2334  askassignment&#4\n-000104d0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-000104e0: 5f67 726f 6d61 6373 5f6c 6973 7465 645f  _gromacs_listed_\n-000104f0: 666f 7263 6573 3c2f 7469 746c 653e 0a3c  forces</title>.<\n-00010500: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00010510: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-00010520: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-00010530: 6179 3d22 352c 3222 2064 3d22 4d35 3431  ay=\"5,2\" d=\"M541\n-00010540: 2e30 392c 2d37 3730 2e34 3243 3534 382e  .09,-770.42C548.\n-00010550: 3634 2c2d 3732 332e 3620 3537 322e 3537  64,-723.6 572.57\n-00010560: 2c2d 3535 382e 3735 2035 3432 2c2d 3531  ,-558.75 542,-51\n-00010570: 382e 3936 2035 3034 2e31 372c 2d34 3639  8.96 504.17,-469\n-00010580: 2e37 3220 3434 342e 3833 2c2d 3533 322e  .72 444.83,-532.\n-00010590: 3220 3430 372c 2d34 3832 2e39 3620 3339  2 407,-482.96 39\n-000105a0: 392e 3732 2c2d 3437 332e 3439 2034 3031  9.72,-473.49 401\n-000105b0: 2e32 372c 2d34 3636 2e35 3720 3430 372c  .27,-466.57 407,\n-000105c0: 2d34 3536 2e30 3920 3431 302e 312c 2d34  -456.09 410.1,-4\n-000105d0: 3530 2e34 3120 3539 372e 3036 2c2d 3333  50.41 597.06,-33\n-000105e0: 322e 3920 3630 332c 2d33 3330 2e33 3520  2.9 603,-330.35 \n-000105f0: 3634 392e 3834 2c2d 3331 302e 3233 2037  649.84,-310.23 7\n-00010600: 3036 2e36 382c 2d32 3937 2e33 3820 3734  06.68,-297.38 74\n-00010610: 372e 3235 2c2d 3239 302e 3031 222f 3e0a  7.25,-290.01\"/>.\n-00010620: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-00010630: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n-00010640: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n-00010650: 2237 3437 2e39 362c 2d32 3933 2e34 3420  \"747.96,-293.44 \n-00010660: 3735 372e 322c 2d32 3838 2e32 3520 3734  757.2,-288.25 74\n-00010670: 362e 3734 2c2d 3238 362e 3534 2037 3437  6.74,-286.54 747\n-00010680: 2e39 362c 2d32 3933 2e34 3422 2f3e 0a3c  .96,-293.44\"/>.<\n-00010690: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-000106a0: 7372 635f 6772 6f6d 6163 735f 7461 736b  src_gromacs_task\n-000106b0: 6173 7369 676e 6d65 6e74 2623 3435 3b26  assignment&#45;&\n-000106c0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-000106d0: 6f6d 6163 735f 6577 616c 6420 2d2d 3e0a  omacs_ewald -->.\n-000106e0: 3c67 2069 643d 2265 6467 6538 3922 2063  <g id=\"edge89\" c\n-000106f0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-00010700: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-00010710: 726f 6d61 6373 5f74 6173 6b61 7373 6967  romacs_taskassig\n-00010720: 6e6d 656e 7426 2334 353b 2667 743b 6d6f  nment&#45;&gt;mo\n-00010730: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00010740: 5f65 7761 6c64 3c2f 7469 746c 653e 0a3c  _ewald</title>.<\n-00010750: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00010760: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-00010770: 2220 643d 224d 3532 342e 3739 2c2d 3737  \" d=\"M524.79,-77\n-00010780: 302e 3531 4335 3135 2e30 322c 2d37 3631  0.51C515.02,-761\n-00010790: 2e33 3720 3530 322e 3334 2c2d 3734 382e  .37 502.34,-748.\n-000107a0: 3138 2034 3934 2c2d 3733 342e 3434 2034  18 494,-734.44 4\n-000107b0: 3732 2e30 332c 2d36 3938 2e32 3420 3438  72.03,-698.24 48\n-000107c0: 322e 3636 2c2d 3638 312e 3636 2034 3632  2.66,-681.66 462\n-000107d0: 2c2d 3634 342e 3720 3431 372c 2d35 3634  ,-644.7 417,-564\n-000107e0: 2e32 2033 3632 2e36 332c 2d35 3639 2e39  .2 362.63,-569.9\n-000107f0: 3520 3333 322c 2d34 3832 2e39 3620 3332  5 332,-482.96 32\n-00010800: 382e 3033 2c2d 3437 312e 3720 3333 312e  8.03,-471.7 331.\n-00010810: 3234 2c2d 3436 382e 3031 2033 3332 2c2d  24,-468.01 332,-\n-00010820: 3435 362e 3039 2033 3339 2e35 392c 2d33  456.09 339.59,-3\n-00010830: 3336 2e33 3720 3333 332e 382c 2d32 3736  36.37 333.8,-276\n-00010840: 2e32 3620 3433 302c 2d32 3034 2e36 3120  .26 430,-204.61 \n-00010850: 3437 332e 3633 2c2d 3137 322e 3131 2034  473.63,-172.11 4\n-00010860: 3935 2e34 332c 2d31 3835 2e39 3620 3534  95.43,-185.96 54\n-00010870: 372c 2d31 3638 2e36 3120 3534 372e 3839  7,-168.61 547.89\n-00010880: 2c2d 3136 382e 3331 2035 3438 2e37 382c  ,-168.31 548.78,\n-00010890: 2d31 3638 2e30 3120 3534 392e 3639 2c2d  -168.01 549.69,-\n-000108a0: 3136 372e 3722 2f3e 0a3c 706f 6c79 676f  167.7\"/>.<polygo\n-000108b0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n-000108c0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-000108d0: 2220 706f 696e 7473 3d22 3535 312e 3231  \" points=\"551.21\n-000108e0: 2c2d 3137 302e 3837 2035 3539 2e34 382c  ,-170.87 559.48,\n-000108f0: 2d31 3634 2e32 3420 3534 382e 3838 2c2d  -164.24 548.88,-\n-00010900: 3136 342e 3237 2035 3531 2e32 312c 2d31  164.27 551.21,-1\n-00010910: 3730 2e38 3722 2f3e 0a3c 2f67 3e0a 3c21  70.87\"/>.</g>.<!\n-00010920: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00010930: 6f6d 6163 735f 6e62 6e78 6d26 2334 353b  omacs_nbnxm&#45;\n-00010940: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00010950: 726f 6d61 6373 5f64 6f6d 6465 6320 2d2d  romacs_domdec --\n-00010960: 3e0a 3c67 2069 643d 2265 6467 6531 3033  >.<g id=\"edge103\n-00010970: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-00010980: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00010990: 635f 6772 6f6d 6163 735f 6e62 6e78 6d26  c_gromacs_nbnxm&\n-000109a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-000109b0: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465  rc_gromacs_domde\n-000109c0: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820  c</title>.<path \n-000109d0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-000109e0: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n-000109f0: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-00010a00: 2c32 2220 643d 224d 3737 352e 3431 2c2d  ,2\" d=\"M775.41,-\n-00010a10: 3335 372e 3331 4337 3635 2e38 372c 2d33  357.31C765.87,-3\n-00010a20: 3732 2e34 3720 3734 342e 3439 2c2d 3339  72.47 744.49,-39\n-00010a30: 382e 3634 2037 3235 2c2d 3432 302e 3039  8.64 725,-420.09\n-00010a40: 2036 3938 2e36 312c 2d34 3439 2e31 3420   698.61,-449.14 \n-00010a50: 3639 312e 3832 2c2d 3435 362e 3332 2036  691.82,-456.32 6\n-00010a60: 3633 2c2d 3438 322e 3936 2035 3831 2e30  63,-482.96 581.0\n-00010a70: 372c 2d35 3538 2e37 3120 3532 312e 3235  7,-558.71 521.25\n-00010a80: 2c2d 3534 352e 3038 2034 3731 2c2d 3634  ,-545.08 471,-64\n-00010a90: 342e 3720 3432 372e 3834 2c2d 3733 302e  4.7 427.84,-730.\n-00010aa0: 3237 2034 3336 2e32 312c 2d37 3638 2e31  27 436.21,-768.1\n-00010ab0: 3720 3436 332c 2d38 3630 2e31 3820 3437  7 463,-860.18 47\n-00010ac0: 322e 3236 2c2d 3839 312e 3938 2034 3736  2.26,-891.98 476\n-00010ad0: 2e31 382c 2d39 3033 2e36 3220 3530 332c  .18,-903.62 503,\n-00010ae0: 2d39 3233 2e30 3520 3534 332e 3234 2c2d  -923.05 543.24,-\n-00010af0: 3935 322e 3220 3539 392e 3336 2c2d 3936  952.2 599.36,-96\n-00010b00: 332e 3835 2036 3338 2e35 2c2d 3936 382e  3.85 638.5,-968.\n-00010b10: 3439 222f 3e0a 3c70 6f6c 7967 6f6e 2066  49\"/>.<polygon f\n-00010b20: 696c 6c3d 2223 3238 3266 6363 2220 7374  ill=\"#282fcc\" st\n-00010b30: 726f 6b65 3d22 2332 3832 6663 6322 2070  roke=\"#282fcc\" p\n-00010b40: 6f69 6e74 733d 2236 3338 2e32 342c 2d39  oints=\"638.24,-9\n-00010b50: 3731 2e39 3820 3634 382e 3536 2c2d 3936  71.98 648.56,-96\n-00010b60: 392e 3537 2036 3338 2e39 392c 2d39 3635  9.57 638.99,-965\n-00010b70: 2e30 3220 3633 382e 3234 2c2d 3937 312e  .02 638.24,-971.\n-00010b80: 3938 222f 3e0a 3c2f 673e 0a3c 212d 2d20  98\"/>.</g>.<!-- \n-00010b90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00010ba0: 6373 5f6e 626e 786d 2623 3435 3b26 6774  cs_nbnxm&#45;&gt\n-00010bb0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00010bc0: 6163 735f 6d64 6c69 6220 2d2d 3e0a 3c67  acs_mdlib -->.<g\n-00010bd0: 2069 643d 2265 6467 6531 3030 2220 636c   id=\"edge100\" cl\n-00010be0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00010bf0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00010c00: 6f6d 6163 735f 6e62 6e78 6d26 2334 353b  omacs_nbnxm&#45;\n-00010c10: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00010c20: 726f 6d61 6373 5f6d 646c 6962 3c2f 7469  romacs_mdlib</ti\n-00010c30: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-00010c40: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-00010c50: 6266 6266 6266 2220 643d 224d 3739 312e  bfbfbf\" d=\"M791.\n-00010c60: 3334 2c2d 3333 312e 3039 4338 3135 2e32  34,-331.09C815.2\n-00010c70: 322c 2d33 3134 2e33 2038 3637 2e39 382c  2,-314.3 867.98,\n-00010c80: 2d32 3833 2e36 3420 3931 372c 2d32 3637  -283.64 917,-267\n-00010c90: 2e34 3820 3130 3038 2e38 312c 2d32 3337  .48 1008.81,-237\n-00010ca0: 2e32 3220 3131 3233 2e32 342c 2d32 3235  .22 1123.24,-225\n-00010cb0: 2e33 3320 3131 3831 2e38 352c 2d32 3231  .33 1181.85,-221\n-00010cc0: 2e31 3122 2f3e 0a3c 706f 6c79 676f 6e20  .11\"/>.<polygon \n-00010cd0: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n-00010ce0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-00010cf0: 706f 696e 7473 3d22 3131 3832 2e33 382c  points=\"1182.38,\n-00010d00: 2d32 3234 2e35 3920 3131 3932 2e31 322c  -224.59 1192.12,\n-00010d10: 2d32 3230 2e34 3120 3131 3831 2e39 312c  -220.41 1181.91,\n-00010d20: 2d32 3137 2e36 2031 3138 322e 3338 2c2d  -217.6 1182.38,-\n-00010d30: 3232 342e 3539 222f 3e0a 3c2f 673e 0a3c  224.59\"/>.</g>.<\n-00010d40: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-00010d50: 726f 6d61 6373 5f6e 626e 786d 2623 3435  romacs_nbnxm&#45\n-00010d60: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00010d70: 6772 6f6d 6163 735f 6861 7264 7761 7265  gromacs_hardware\n-00010d80: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-00010d90: 3130 3222 2063 6c61 7373 3d22 6564 6765  102\" class=\"edge\n-00010da0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00010db0: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e  _src_gromacs_nbn\n-00010dc0: 786d 2623 3435 3b26 6774 3b6d 6f64 756c  xm&#45;&gt;modul\n-00010dd0: 655f 7372 635f 6772 6f6d 6163 735f 6861  e_src_gromacs_ha\n-00010de0: 7264 7761 7265 3c2f 7469 746c 653e 0a3c  rdware</title>.<\n-00010df0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00010e00: 2073 7472 6f6b 653d 2272 6564 2220 643d   stroke=\"red\" d=\n-00010e10: 224d 3734 392e 3235 2c2d 3334 392e 3331  \"M749.25,-349.31\n-00010e20: 4337 3130 2e30 382c 2d33 3535 2e39 2036  C710.08,-355.9 6\n-00010e30: 3339 2e35 372c 2d33 3639 2e39 3520 3538  39.57,-369.95 58\n-00010e40: 332c 2d33 3933 2e32 3220 3536 312e 3436  3,-393.22 561.46\n-00010e50: 2c2d 3430 322e 3038 2035 3538 2e30 332c  ,-402.08 558.03,\n-00010e60: 2d34 3038 2e32 2035 3338 2c2d 3432 302e  -408.2 538,-420.\n-00010e70: 3039 2035 3139 2e38 322c 2d34 3330 2e38  09 519.82,-430.8\n-00010e80: 3920 3439 392e 3334 2c2d 3434 322e 3939  9 499.34,-442.99\n-00010e90: 2034 3833 2e33 392c 2d34 3532 2e33 3922   483.39,-452.39\"\n-00010ea0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00010eb0: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n-00010ec0: 6564 2220 706f 696e 7473 3d22 3438 312e  ed\" points=\"481.\n-00010ed0: 3431 2c2d 3434 392e 3439 2034 3734 2e35  41,-449.49 474.5\n-00010ee0: 382c 2d34 3537 2e35 3920 3438 342e 3937  8,-457.59 484.97\n-00010ef0: 2c2d 3435 352e 3532 2034 3831 2e34 312c  ,-455.52 481.41,\n-00010f00: 2d34 3439 2e34 3922 2f3e 0a3c 2f67 3e0a  -449.49\"/>.</g>.\n-00010f10: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00010f20: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334  gromacs_nbnxm&#4\n-00010f30: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00010f40: 5f67 726f 6d61 6373 5f67 7075 5f75 7469  _gromacs_gpu_uti\n-00010f50: 6c73 202d 2d3e 0a3c 6720 6964 3d22 6564  ls -->.<g id=\"ed\n-00010f60: 6765 3938 2220 636c 6173 733d 2265 6467  ge98\" class=\"edg\n-00010f70: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00010f80: 655f 7372 635f 6772 6f6d 6163 735f 6e62  e_src_gromacs_nb\n-00010f90: 6e78 6d26 2334 353b 2667 743b 6d6f 6475  nxm&#45;&gt;modu\n-00010fa0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-00010fb0: 7075 5f75 7469 6c73 3c2f 7469 746c 653e  pu_utils</title>\n-00010fc0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-00010fd0: 6522 2073 7472 6f6b 653d 2272 6564 2220  e\" stroke=\"red\" \n-00010fe0: 643d 224d 3735 392e 3934 2c2d 3335 342e  d=\"M759.94,-354.\n-00010ff0: 3832 4337 3336 2e36 332c 2d33 3635 2e32  82C736.63,-365.2\n-00011000: 3820 3639 372e 312c 2d33 3831 2e37 3120  8 697.1,-381.71 \n-00011010: 3636 382e 3036 2c2d 3339 332e 3034 222f  668.06,-393.04\"/\n-00011020: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00011030: 2272 6564 2220 7374 726f 6b65 3d22 7265  \"red\" stroke=\"re\n-00011040: 6422 2070 6f69 6e74 733d 2236 3636 2e37  d\" points=\"666.7\n-00011050: 312c 2d33 3839 2e38 3120 3635 382e 3635  1,-389.81 658.65\n-00011060: 2c2d 3339 362e 3637 2036 3639 2e32 342c  ,-396.67 669.24,\n-00011070: 2d33 3936 2e33 3420 3636 362e 3731 2c2d  -396.34 666.71,-\n-00011080: 3338 392e 3831 222f 3e0a 3c2f 673e 0a3c  389.81\"/>.</g>.<\n-00011090: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-000110a0: 726f 6d61 6373 5f6e 626e 786d 2623 3435  romacs_nbnxm&#45\n-000110b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-000110c0: 6772 6f6d 6163 735f 676d 786c 6962 202d  gromacs_gmxlib -\n-000110d0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3130  ->.<g id=\"edge10\n-000110e0: 3122 2063 6c61 7373 3d22 6564 6765 223e  1\" class=\"edge\">\n-000110f0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00011100: 7263 5f67 726f 6d61 6373 5f6e 626e 786d  rc_gromacs_nbnxm\n-00011110: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00011120: 7372 635f 6772 6f6d 6163 735f 676d 786c  src_gromacs_gmxl\n-00011130: 6962 3c2f 7469 746c 653e 0a3c 7061 7468  ib</title>.<path\n-00011140: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-00011150: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n-00011160: 224d 3739 362e 3133 2c2d 3335 352e 3436  \"M796.13,-355.46\n-00011170: 4338 3130 2e35 322c 2d33 3634 2e37 3420  C810.52,-364.74 \n-00011180: 3833 312e 3335 2c2d 3337 382e 3931 2038  831.35,-378.91 8\n-00011190: 3438 2c2d 3339 332e 3232 2039 3737 2e37  48,-393.22 977.7\n-000111a0: 362c 2d35 3034 2e37 3720 3936 372e 3231  6,-504.77 967.21\n-000111b0: 2c2d 3538 332e 3632 2031 3131 342c 2d36  ,-583.62 1114,-6\n-000111c0: 3731 2e35 3720 3131 3535 2e38 2c2d 3639  71.57 1155.8,-69\n-000111d0: 362e 3631 2031 3231 302e 3936 2c2d 3730  6.61 1210.96,-70\n-000111e0: 392e 3120 3132 3437 2e38 372c 2d37 3135  9.1 1247.87,-715\n-000111f0: 2e30 3522 2f3e 0a3c 706f 6c79 676f 6e20  .05\"/>.<polygon \n-00011200: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n-00011210: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-00011220: 706f 696e 7473 3d22 3132 3437 2e33 352c  points=\"1247.35,\n-00011230: 2d37 3138 2e35 3120 3132 3537 2e37 372c  -718.51 1257.77,\n-00011240: 2d37 3136 2e35 3620 3132 3438 2e34 312c  -716.56 1248.41,\n-00011250: 2d37 3131 2e35 3920 3132 3437 2e33 352c  -711.59 1247.35,\n-00011260: 2d37 3138 2e35 3122 2f3e 0a3c 2f67 3e0a  -718.51\"/>.</g>.\n-00011270: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00011280: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334  gromacs_nbnxm&#4\n-00011290: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-000112a0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573  _gromacs_mdtypes\n-000112b0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-000112c0: 3939 2220 636c 6173 733d 2265 6467 6522  99\" class=\"edge\"\n-000112d0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-000112e0: 7372 635f 6772 6f6d 6163 735f 6e62 6e78  src_gromacs_nbnx\n-000112f0: 6d26 2334 353b 2667 743b 6d6f 6475 6c65  m&#45;&gt;module\n-00011300: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474  _src_gromacs_mdt\n-00011310: 7970 6573 3c2f 7469 746c 653e 0a3c 7061  ypes</title>.<pa\n-00011320: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-00011330: 7472 6f6b 653d 2272 6564 2220 643d 224d  troke=\"red\" d=\"M\n-00011340: 3739 352e 3937 2c2d 3335 352e 3337 4338  795.97,-355.37C8\n-00011350: 3038 2e36 372c 2d33 3634 2e30 3920 3832  08.67,-364.09 82\n-00011360: 352e 3537 2c2d 3337 372e 3534 2038 3336  5.57,-377.54 836\n-00011370: 2c2d 3339 332e 3232 2038 3839 2e38 382c  ,-393.22 889.88,\n-00011380: 2d34 3734 2e31 3820 3831 392e 3839 2c2d  -474.18 819.89,-\n-00011390: 3532 372e 3920 3837 342c 2d36 3038 2e37  527.9 874,-608.7\n-000113a0: 2038 3835 2e35 332c 2d36 3235 2e39 3120   885.53,-625.91 \n-000113b0: 3930 352e 3332 2c2d 3633 372e 3632 2039  905.32,-637.62 9\n-000113c0: 3233 2e31 322c 2d36 3435 2e32 3122 2f3e  23.12,-645.21\"/>\n-000113d0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-000113e0: 7265 6422 2073 7472 6f6b 653d 2272 6564  red\" stroke=\"red\n-000113f0: 2220 706f 696e 7473 3d22 3932 322e 3135  \" points=\"922.15\n-00011400: 2c2d 3634 382e 3539 2039 3332 2e37 332c  ,-648.59 932.73,\n-00011410: 2d36 3439 2e30 3120 3932 342e 3732 2c2d  -649.01 924.72,-\n-00011420: 3634 322e 3038 2039 3232 2e31 352c 2d36  642.08 922.15,-6\n-00011430: 3438 2e35 3922 2f3e 0a3c 2f67 3e0a 3c21  48.59\"/>.</g>.<!\n-00011440: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00011450: 6f6d 6163 735f 6e62 6e78 6d26 2334 353b  omacs_nbnxm&#45;\n-00011460: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00011470: 726f 6d61 6373 5f6c 6973 7465 645f 666f  romacs_listed_fo\n-00011480: 7263 6573 202d 2d3e 0a3c 6720 6964 3d22  rces -->.<g id=\"\n-00011490: 6564 6765 3130 3422 2063 6c61 7373 3d22  edge104\" class=\"\n-000114a0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-000114b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-000114c0: 5f6e 626e 786d 2623 3435 3b26 6774 3b6d  _nbnxm&#45;&gt;m\n-000114d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-000114e0: 735f 6c69 7374 6564 5f66 6f72 6365 733c  s_listed_forces<\n-000114f0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00011500: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-00011510: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-00011520: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n-00011530: 2220 643d 224d 3737 372e 3736 2c2d 3333  \" d=\"M777.76,-33\n-00011540: 302e 3137 4337 3739 2e32 362c 2d33 3232  0.17C779.26,-322\n-00011550: 2e35 3820 3738 322e 3336 2c2d 3331 322e  .58 782.36,-312.\n-00011560: 3731 2037 3835 2e39 312c 2d33 3033 2e38  71 785.91,-303.8\n-00011570: 3722 2f3e 0a3c 706f 6c79 676f 6e20 6669  7\"/>.<polygon fi\n-00011580: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n-00011590: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n-000115a0: 696e 7473 3d22 3738 392e 3231 2c2d 3330  ints=\"789.21,-30\n-000115b0: 352e 3037 2037 3930 2e30 362c 2d32 3934  5.07 790.06,-294\n-000115c0: 2e35 3120 3738 322e 3831 2c2d 3330 322e  .51 782.81,-302.\n-000115d0: 3233 2037 3839 2e32 312c 2d33 3035 2e30  23 789.21,-305.0\n-000115e0: 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  7\"/>.</g>.<!-- m\n-000115f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00011600: 735f 6e62 6e78 6d26 2334 353b 2667 743b  s_nbnxm&#45;&gt;\n-00011610: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00011620: 6373 5f65 7761 6c64 202d 2d3e 0a3c 6720  cs_ewald -->.<g \n-00011630: 6964 3d22 6564 6765 3130 3522 2063 6c61  id=\"edge105\" cla\n-00011640: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00011650: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00011660: 6d61 6373 5f6e 626e 786d 2623 3435 3b26  macs_nbnxm&#45;&\n-00011670: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00011680: 6f6d 6163 735f 6577 616c 643c 2f74 6974  omacs_ewald</tit\n-00011690: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-000116a0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n-000116b0: 6363 6332 3822 2073 7472 6f6b 652d 6461  ccc28\" stroke-da\n-000116c0: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n-000116d0: 224d 3736 332e 3231 2c2d 3333 312e 3836  \"M763.21,-331.86\n-000116e0: 4337 3335 2e33 312c 2d33 3038 2e32 3720  C735.31,-308.27 \n-000116f0: 3637 372e 3234 2c2d 3235 302e 3936 2036  677.24,-250.96 6\n-00011700: 3237 2c2d 3230 342e 3631 2036 3136 2e34  27,-204.61 616.4\n-00011710: 342c 2d31 3934 2e38 3720 3630 342e 3439  4,-194.87 604.49\n-00011720: 2c2d 3138 342e 3320 3539 352e 3231 2c2d  ,-184.3 595.21,-\n-00011730: 3137 352e 3532 222f 3e0a 3c70 6f6c 7967  175.52\"/>.<polyg\n-00011740: 6f6e 2066 696c 6c3d 2223 3263 6363 3238  on fill=\"#2ccc28\n-00011750: 2220 7374 726f 6b65 3d22 2332 6363 6332  \" stroke=\"#2ccc2\n-00011760: 3822 2070 6f69 6e74 733d 2235 3937 2e34  8\" points=\"597.4\n-00011770: 352c 2d31 3732 2e38 3120 3538 372e 3834  5,-172.81 587.84\n-00011780: 2c2d 3136 382e 3334 2035 3932 2e35 362c  ,-168.34 592.56,\n-00011790: 2d31 3737 2e38 3320 3539 372e 3435 2c2d  -177.83 597.45,-\n-000117a0: 3137 322e 3831 222f 3e0a 3c2f 673e 0a3c  172.81\"/>.</g>.<\n-000117b0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-000117c0: 726f 6d61 6373 5f73 656c 6563 7469 6f6e  romacs_selection\n-000117d0: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465   -->.<g id=\"node\n-000117e0: 3138 2220 636c 6173 733d 226e 6f64 6522  18\" class=\"node\"\n-000117f0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00011800: 7372 635f 6772 6f6d 6163 735f 7365 6c65  src_gromacs_sele\n-00011810: 6374 696f 6e3c 2f74 6974 6c65 3e0a 3c67  ction</title>.<g\n-00011820: 2069 643d 2261 5f6e 6f64 6531 3822 3e3c   id=\"a_node18\"><\n-00011830: 6120 786c 696e 6b3a 6872 6566 3d22 6772  a xlink:href=\"gr\n-00011840: 6f75 705f 5f6d 6f64 756c 655f 5f73 656c  oup__module__sel\n-00011850: 6563 7469 6f6e 2e78 6874 6d6c 2220 7461  ection.xhtml\" ta\n-00011860: 7267 6574 3d22 5f74 6f70 2220 786c 696e  rget=\"_top\" xlin\n-00011870: 6b3a 7469 746c 653d 2273 656c 6563 7469  k:title=\"selecti\n-00011880: 6f6e 223e 0a3c 656c 6c69 7073 6520 6669  on\">.<ellipse fi\n-00011890: 6c6c 3d22 2366 6663 6363 6322 2073 7472  ll=\"#ffcccc\" str\n-000118a0: 6f6b 653d 2262 6c61 636b 2220 6378 3d22  oke=\"black\" cx=\"\n-000118b0: 3232 3930 2220 6379 3d22 2d39 322e 3331  2290\" cy=\"-92.31\n-000118c0: 2220 7278 3d22 3339 2e37 2220 7279 3d22  \" rx=\"39.7\" ry=\"\n-000118d0: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074  13.37\"/>.<text t\n-000118e0: 6578 742d 616e 6368 6f72 3d22 6d69 6464  ext-anchor=\"midd\n-000118f0: 6c65 2220 783d 2232 3239 3022 2079 3d22  le\" x=\"2290\" y=\"\n-00011900: 2d38 392e 3831 2220 666f 6e74 2d66 616d  -89.81\" font-fam\n-00011910: 696c 793d 2246 7265 6553 616e 7322 2066  ily=\"FreeSans\" f\n-00011920: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022  ont-size=\"10.00\"\n-00011930: 3e73 656c 6563 7469 6f6e 3c2f 7465 7874  >selection</text\n-00011940: 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e  >.</a>.</g>.</g>\n-00011950: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00011960: 5f67 726f 6d61 6373 5f73 656c 6563 7469  _gromacs_selecti\n-00011970: 6f6e 2623 3435 3b26 6774 3b6d 6f64 756c  on&#45;&gt;modul\n-00011980: 655f 7372 635f 6772 6f6d 6163 735f 6f70  e_src_gromacs_op\n-00011990: 7469 6f6e 7320 2d2d 3e0a 3c67 2069 643d  tions -->.<g id=\n-000119a0: 2265 6467 6531 3036 2220 636c 6173 733d  \"edge106\" class=\n-000119b0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-000119c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-000119d0: 735f 7365 6c65 6374 696f 6e26 2334 353b  s_selection&#45;\n-000119e0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-000119f0: 726f 6d61 6373 5f6f 7074 696f 6e73 3c2f  romacs_options</\n-00011a00: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00011a10: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-00011a20: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-00011a30: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n-00011a40: 2064 3d22 4d32 3235 392e 3235 2c2d 3833   d=\"M2259.25,-83\n-00011a50: 2e37 3743 3232 3531 2e36 372c 2d38 322e  .77C2251.67,-82.\n-00011a60: 3034 2032 3234 332e 3536 2c2d 3830 2e32  04 2243.56,-80.2\n-00011a70: 3920 3232 3336 2c2d 3738 2e38 3720 3231  9 2236,-78.87 21\n-00011a80: 3332 2e34 322c 2d35 392e 3432 2032 3030  32.42,-59.42 200\n-00011a90: 392e 3432 2c2d 3433 2e32 3720 3139 3436  9.42,-43.27 1946\n-00011aa0: 2e31 392c 2d33 352e 3437 222f 3e0a 3c70  .19,-35.47\"/>.<p\n-00011ab0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n-00011ac0: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n-00011ad0: 3832 6663 6322 2070 6f69 6e74 733d 2231  82fcc\" points=\"1\n-00011ae0: 3934 362e 3535 2c2d 3331 2e39 3920 3139  946.55,-31.99 19\n-00011af0: 3336 2e31 392c 2d33 342e 3235 2031 3934  36.19,-34.25 194\n-00011b00: 352e 3639 2c2d 3338 2e39 3420 3139 3436  5.69,-38.94 1946\n-00011b10: 2e35 352c 2d33 312e 3939 222f 3e0a 3c2f  .55,-31.99\"/>.</\n-00011b20: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00011b30: 7263 5f67 726f 6d61 6373 5f73 656c 6563  rc_gromacs_selec\n-00011b40: 7469 6f6e 2623 3435 3b26 6774 3b6d 6f64  tion&#45;&gt;mod\n-00011b50: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00011b60: 7261 6e64 6f6d 202d 2d3e 0a3c 6720 6964  random -->.<g id\n-00011b70: 3d22 6564 6765 3130 3822 2063 6c61 7373  =\"edge108\" class\n-00011b80: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-00011b90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00011ba0: 6373 5f73 656c 6563 7469 6f6e 2623 3435  cs_selection&#45\n-00011bb0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00011bc0: 6772 6f6d 6163 735f 7261 6e64 6f6d 3c2f  gromacs_random</\n-00011bd0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00011be0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-00011bf0: 2223 3263 6363 3238 2220 7374 726f 6b65  \"#2ccc28\" stroke\n-00011c00: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n-00011c10: 2064 3d22 4d32 3235 322e 3839 2c2d 3937   d=\"M2252.89,-97\n-00011c20: 2e31 3843 3231 3833 2e35 372c 2d31 3034  .18C2183.57,-104\n-00011c30: 2e35 3820 3230 3239 2e37 392c 2d31 3231  .58 2029.79,-121\n-00011c40: 2e37 3920 3139 3031 2c2d 3134 312e 3734  .79 1901,-141.74\n-00011c50: 2031 3839 322e 3236 2c2d 3134 332e 3039   1892.26,-143.09\n-00011c60: 2031 3838 322e 3931 2c2d 3134 342e 3732   1882.91,-144.72\n-00011c70: 2031 3837 342e 3036 2c2d 3134 362e 3334   1874.06,-146.34\n-00011c80: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-00011c90: 6c3d 2223 3263 6363 3238 2220 7374 726f  l=\"#2ccc28\" stro\n-00011ca0: 6b65 3d22 2332 6363 6332 3822 2070 6f69  ke=\"#2ccc28\" poi\n-00011cb0: 6e74 733d 2231 3837 332e 3134 2c2d 3134  nts=\"1873.14,-14\n-00011cc0: 322e 3935 2031 3836 332e 3935 2c2d 3134  2.95 1863.95,-14\n-00011cd0: 382e 3232 2031 3837 342e 3432 2c2d 3134  8.22 1874.42,-14\n-00011ce0: 392e 3833 2031 3837 332e 3134 2c2d 3134  9.83 1873.14,-14\n-00011cf0: 322e 3935 222f 3e0a 3c2f 673e 0a3c 212d  2.95\"/>.</g>.<!-\n-00011d00: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00011d10: 6d61 6373 5f6f 6e6c 696e 6568 656c 7020  macs_onlinehelp \n-00011d20: 2d2d 3e0a 3c67 2069 643d 226e 6f64 6534  -->.<g id=\"node4\n-00011d30: 3222 2063 6c61 7373 3d22 6e6f 6465 223e  2\" class=\"node\">\n-00011d40: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00011d50: 7263 5f67 726f 6d61 6373 5f6f 6e6c 696e  rc_gromacs_onlin\n-00011d60: 6568 656c 703c 2f74 6974 6c65 3e0a 3c67  ehelp</title>.<g\n-00011d70: 2069 643d 2261 5f6e 6f64 6534 3222 3e3c   id=\"a_node42\"><\n-00011d80: 6120 786c 696e 6b3a 6872 6566 3d22 6772  a xlink:href=\"gr\n-00011d90: 6f75 705f 5f6d 6f64 756c 655f 5f6f 6e6c  oup__module__onl\n-00011da0: 696e 6568 656c 702e 7868 746d 6c22 2074  inehelp.xhtml\" t\n-00011db0: 6172 6765 743d 225f 746f 7022 2078 6c69  arget=\"_top\" xli\n-00011dc0: 6e6b 3a74 6974 6c65 3d22 6f6e 6c69 6e65  nk:title=\"online\n-00011dd0: 6865 6c70 223e 0a3c 656c 6c69 7073 6520  help\">.<ellipse \n-00011de0: 6669 6c6c 3d22 2366 6665 3463 6322 2073  fill=\"#ffe4cc\" s\n-00011df0: 7472 6f6b 653d 2262 6c61 636b 2220 6378  troke=\"black\" cx\n-00011e00: 3d22 3232 3930 2220 6379 3d22 2d32 392e  =\"2290\" cy=\"-29.\n-00011e10: 3434 2220 7278 3d22 3432 2e33 3522 2072  44\" rx=\"42.35\" r\n-00011e20: 793d 2231 332e 3337 222f 3e0a 3c74 6578  y=\"13.37\"/>.<tex\n-00011e30: 7420 7465 7874 2d61 6e63 686f 723d 226d  t text-anchor=\"m\n-00011e40: 6964 646c 6522 2078 3d22 3232 3930 2220  iddle\" x=\"2290\" \n-00011e50: 793d 222d 3236 2e39 3422 2066 6f6e 742d  y=\"-26.94\" font-\n-00011e60: 6661 6d69 6c79 3d22 4672 6565 5361 6e73  family=\"FreeSans\n-00011e70: 2220 666f 6e74 2d73 697a 653d 2231 302e  \" font-size=\"10.\n-00011e80: 3030 223e 6f6e 6c69 6e65 6865 6c70 3c2f  00\">onlinehelp</\n-00011e90: 7465 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a  text>.</a>.</g>.\n-00011ea0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00011eb0: 5f73 7263 5f67 726f 6d61 6373 5f73 656c  _src_gromacs_sel\n-00011ec0: 6563 7469 6f6e 2623 3435 3b26 6774 3b6d  ection&#45;&gt;m\n-00011ed0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00011ee0: 735f 6f6e 6c69 6e65 6865 6c70 202d 2d3e  s_onlinehelp -->\n-00011ef0: 0a3c 6720 6964 3d22 6564 6765 3130 3722  .<g id=\"edge107\"\n-00011f00: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-00011f10: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00011f20: 5f67 726f 6d61 6373 5f73 656c 6563 7469  _gromacs_selecti\n-00011f30: 6f6e 2623 3435 3b26 6774 3b6d 6f64 756c  on&#45;&gt;modul\n-00011f40: 655f 7372 635f 6772 6f6d 6163 735f 6f6e  e_src_gromacs_on\n-00011f50: 6c69 6e65 6865 6c70 3c2f 7469 746c 653e  linehelp</title>\n-00011f60: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-00011f70: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n-00011f80: 6363 2220 643d 224d 3232 3930 2c2d 3738  cc\" d=\"M2290,-78\n-00011f90: 2e36 3943 3232 3930 2c2d 3731 2e33 3520  .69C2290,-71.35 \n-00011fa0: 3232 3930 2c2d 3631 2e38 3620 3232 3930  2290,-61.86 2290\n-00011fb0: 2c2d 3533 2e32 3522 2f3e 0a3c 706f 6c79  ,-53.25\"/>.<poly\n-00011fc0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663  gon fill=\"#282fc\n-00011fd0: 6322 2073 7472 6f6b 653d 2223 3238 3266  c\" stroke=\"#282f\n-00011fe0: 6363 2220 706f 696e 7473 3d22 3232 3933  cc\" points=\"2293\n-00011ff0: 2e35 2c2d 3533 2e30 3320 3232 3930 2c2d  .5,-53.03 2290,-\n-00012000: 3433 2e30 3320 3232 3836 2e35 2c2d 3533  43.03 2286.5,-53\n-00012010: 2e30 3320 3232 3933 2e35 2c2d 3533 2e30  .03 2293.5,-53.0\n-00012020: 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  3\"/>.</g>.<!-- m\n-00012030: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00012040: 735f 646f 6d64 6563 2623 3435 3b26 6774  s_domdec&#45;&gt\n-00012050: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00012060: 6163 735f 6d64 7275 6e20 2d2d 3e0a 3c67  acs_mdrun -->.<g\n-00012070: 2069 643d 2265 6467 6531 3138 2220 636c   id=\"edge118\" cl\n-00012080: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00012090: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-000120a0: 6f6d 6163 735f 646f 6d64 6563 2623 3435  omacs_domdec&#45\n-000120b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-000120c0: 6772 6f6d 6163 735f 6d64 7275 6e3c 2f74  gromacs_mdrun</t\n-000120d0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-000120e0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-000120f0: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n-00012100: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n-00012110: 643d 224d 3639 352e 3738 2c2d 3938 352e  d=\"M695.78,-985.\n-00012120: 3437 4337 3037 2e31 312c 2d31 3030 312e  47C707.11,-1001.\n-00012130: 3737 2037 3234 2e30 352c 2d31 3033 302e  77 724.05,-1030.\n-00012140: 3934 2037 3436 2c2d 3130 3438 2e37 3920  94 746,-1048.79 \n-00012150: 3736 362e 3836 2c2d 3130 3635 2e37 3520  766.86,-1065.75 \n-00012160: 3739 342e 3536 2c2d 3130 3737 2e38 2038  794.56,-1077.8 8\n-00012170: 3136 2e30 392c 2d31 3038 352e 3634 222f  16.09,-1085.64\"/\n-00012180: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00012190: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-000121a0: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n-000121b0: 733d 2238 3135 2e32 322c 2d31 3038 392e  s=\"815.22,-1089.\n-000121c0: 3034 2038 3235 2e38 312c 2d31 3038 392e  04 825.81,-1089.\n-000121d0: 3035 2038 3137 2e35 342c 2d31 3038 322e  05 817.54,-1082.\n-000121e0: 3434 2038 3135 2e32 322c 2d31 3038 392e  44 815.22,-1089.\n-000121f0: 3034 222f 3e0a 3c2f 673e 0a3c 212d 2d20  04\"/>.</g>.<!-- \n-00012200: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00012210: 6373 5f64 6f6d 6465 6326 2334 353b 2667  cs_domdec&#45;&g\n-00012220: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00012230: 6d61 6373 5f6e 626e 786d 202d 2d3e 0a3c  macs_nbnxm -->.<\n-00012240: 6720 6964 3d22 6564 6765 3131 3322 2063  g id=\"edge113\" c\n-00012250: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-00012260: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-00012270: 726f 6d61 6373 5f64 6f6d 6465 6326 2334  romacs_domdec&#4\n-00012280: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00012290: 5f67 726f 6d61 6373 5f6e 626e 786d 3c2f  _gromacs_nbnxm</\n-000122a0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-000122b0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-000122c0: 2272 6564 2220 643d 224d 3634 382e 3037  \"red\" d=\"M648.07\n-000122d0: 2c2d 3937 302e 3535 4336 3035 2e31 332c  ,-970.55C605.13,\n-000122e0: 2d39 3637 2e39 3120 3533 332e 3532 2c2d  -967.91 533.52,-\n-000122f0: 3935 382e 3220 3438 352c 2d39 3233 2e30  958.2 485,-923.0\n-00012300: 3520 3435 382e 3138 2c2d 3930 332e 3632  5 458.18,-903.62\n-00012310: 2034 3534 2e32 362c 2d38 3931 2e39 3820   454.26,-891.98 \n-00012320: 3434 352c 2d38 3630 2e31 3820 3431 382e  445,-860.18 418.\n-00012330: 3231 2c2d 3736 382e 3137 2034 3039 2e38  21,-768.17 409.8\n-00012340: 342c 2d37 3330 2e32 3720 3435 332c 2d36  4,-730.27 453,-6\n-00012350: 3434 2e37 2035 3033 2e32 352c 2d35 3435  44.7 503.25,-545\n-00012360: 2e30 3820 3536 332e 3037 2c2d 3535 382e  .08 563.07,-558.\n-00012370: 3731 2036 3435 2c2d 3438 322e 3936 2036  71 645,-482.96 6\n-00012380: 3733 2e38 322c 2d34 3536 2e33 3220 3638  73.82,-456.32 68\n-00012390: 302e 3631 2c2d 3434 392e 3134 2037 3037  0.61,-449.14 707\n-000123a0: 2c2d 3432 302e 3039 2037 3234 2e30 382c  ,-420.09 724.08,\n-000123b0: 2d34 3031 2e32 3920 3734 322e 3633 2c2d  -401.29 742.63,-\n-000123c0: 3337 382e 3836 2037 3536 2e39 312c 2d33  378.86 756.91,-3\n-000123d0: 3633 2e34 222f 3e0a 3c70 6f6c 7967 6f6e  63.4\"/>.<polygon\n-000123e0: 2066 696c 6c3d 2272 6564 2220 7374 726f   fill=\"red\" stro\n-000123f0: 6b65 3d22 7265 6422 2070 6f69 6e74 733d  ke=\"red\" points=\n-00012400: 2237 3539 2e36 2c2d 3336 352e 3635 2037  \"759.6,-365.65 7\n-00012410: 3633 2e39 372c 2d33 3536 2037 3534 2e35  63.97,-356 754.5\n-00012420: 332c 2d33 3630 2e38 3220 3735 392e 362c  3,-360.82 759.6,\n-00012430: 2d33 3635 2e36 3522 2f3e 0a3c 2f67 3e0a  -365.65\"/>.</g>.\n-00012440: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00012450: 6772 6f6d 6163 735f 646f 6d64 6563 2623  gromacs_domdec&#\n-00012460: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00012470: 635f 6772 6f6d 6163 735f 6d64 6c69 6220  c_gromacs_mdlib \n-00012480: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n-00012490: 3130 2220 636c 6173 733d 2265 6467 6522  10\" class=\"edge\"\n-000124a0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-000124b0: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n-000124c0: 6563 2623 3435 3b26 6774 3b6d 6f64 756c  ec&#45;&gt;modul\n-000124d0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-000124e0: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174  lib</title>.<pat\n-000124f0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00012500: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n-00012510: 3d22 4d36 3932 2e32 312c 2d39 3539 2e32  =\"M692.21,-959.2\n-00012520: 3743 3731 302e 3431 2c2d 3933 382e 3632  7C710.41,-938.62\n-00012530: 2037 3530 2c2d 3839 342e 3437 2037 3530   750,-894.47 750\n-00012540: 2c2d 3834 372e 3735 2037 3530 2c2d 3834  ,-847.75 750,-84\n-00012550: 372e 3735 2037 3530 2c2d 3834 372e 3735  7.75 750,-847.75\n-00012560: 2037 3530 2c2d 3738 322e 3838 2037 3530   750,-782.88 750\n-00012570: 2c2d 3734 362e 3333 2037 3537 2e35 342c  ,-746.33 757.54,\n-00012580: 2d37 3333 2e37 3920 3738 332c 2d37 3037  -733.79 783,-707\n-00012590: 2e35 3720 3830 392e 3034 2c2d 3638 302e  .57 809.04,-680.\n-000125a0: 3736 2038 3239 2e38 362c 2d36 3934 2e39  76 829.86,-694.9\n-000125b0: 3720 3835 392c 2d36 3731 2e35 3720 3938  7 859,-671.57 98\n-000125c0: 312e 3039 2c2d 3537 332e 3532 2039 3738  1.09,-573.52 978\n-000125d0: 2e38 372c 2d35 3136 2e38 3320 3130 3735  .87,-516.83 1075\n-000125e0: 2c2d 3339 332e 3232 2031 3131 382e 352c  ,-393.22 1118.5,\n-000125f0: 2d33 3337 2e32 3920 3131 3239 2e33 352c  -337.29 1129.35,\n-00012600: 2d33 3233 2e32 3920 3131 3733 2c2d 3236  -323.29 1173,-26\n-00012610: 372e 3438 2031 3138 302e 3934 2c2d 3235  7.48 1180.94,-25\n-00012620: 372e 3332 2031 3138 392e 3834 2c2d 3234  7.32 1189.84,-24\n-00012630: 352e 3938 2031 3139 372e 3937 2c2d 3233  5.98 1197.97,-23\n-00012640: 362e 3833 222f 3e0a 3c70 6f6c 7967 6f6e  6.83\"/>.<polygon\n-00012650: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n-00012660: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-00012670: 2070 6f69 6e74 733d 2231 3230 302e 3631   points=\"1200.61\n-00012680: 2c2d 3233 392e 3133 2031 3230 342e 3837  ,-239.13 1204.87\n-00012690: 2c2d 3232 392e 3433 2031 3139 352e 3439  ,-229.43 1195.49\n-000126a0: 2c2d 3233 342e 3335 2031 3230 302e 3631  ,-234.35 1200.61\n-000126b0: 2c2d 3233 392e 3133 222f 3e0a 3c2f 673e  ,-239.13\"/>.</g>\n-000126c0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-000126d0: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326  _gromacs_domdec&\n-000126e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-000126f0: 7263 5f67 726f 6d61 6373 5f68 6172 6477  rc_gromacs_hardw\n-00012700: 6172 6520 2d2d 3e0a 3c67 2069 643d 2265  are -->.<g id=\"e\n-00012710: 6467 6531 3137 2220 636c 6173 733d 2265  dge117\" class=\"e\n-00012720: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-00012730: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00012740: 646f 6d64 6563 2623 3435 3b26 6774 3b6d  domdec&#45;&gt;m\n-00012750: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00012760: 735f 6861 7264 7761 7265 3c2f 7469 746c  s_hardware</titl\n-00012770: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00012780: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n-00012790: 6266 6266 2220 643d 224d 3634 372e 3534  bfbf\" d=\"M647.54\n-000127a0: 2c2d 3937 322e 3233 4335 3939 2e31 322c  ,-972.23C599.12,\n-000127b0: 2d39 3731 2e34 3620 3531 322e 3837 2c2d  -971.46 512.87,-\n-000127c0: 3936 332e 3833 2034 3534 2c2d 3932 332e  963.83 454,-923.\n-000127d0: 3035 2034 3236 2e37 382c 2d39 3034 2e31  05 426.78,-904.1\n-000127e0: 3920 3432 332e 3336 2c2d 3839 312e 3935  9 423.36,-891.95\n-000127f0: 2034 3134 2c2d 3836 302e 3138 2033 3734   414,-860.18 374\n-00012800: 2e35 322c 2d37 3236 2e31 3620 3431 322e  .52,-726.16 412.\n-00012810: 3434 2c2d 3638 352e 3534 2034 3132 2c2d  44,-685.54 412,-\n-00012820: 3534 352e 3833 2034 3131 2e39 362c 2d35  545.83 411.96,-5\n-00012830: 3333 2e38 3920 3430 372e 372c 2d35 3330  33.89 407.7,-530\n-00012840: 2e31 2034 3132 2c2d 3531 382e 3936 2034  .1 412,-518.96 4\n-00012850: 3136 2e33 392c 2d35 3037 2e36 2034 3234  16.39,-507.6 424\n-00012860: 2e38 322c 2d34 3937 2e32 3620 3433 332e  .82,-497.26 433.\n-00012870: 3133 2c2d 3438 392e 3038 222f 3e0a 3c70  13,-489.08\"/>.<p\n-00012880: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n-00012890: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n-000128a0: 6662 6662 6622 2070 6f69 6e74 733d 2234  fbfbf\" points=\"4\n-000128b0: 3335 2e36 322c 2d34 3931 2e35 3520 3434  35.62,-491.55 44\n-000128c0: 302e 3632 2c2d 3438 322e 3231 2034 3330  0.62,-482.21 430\n-000128d0: 2e38 382c 2d34 3836 2e34 2034 3335 2e36  .88,-486.4 435.6\n-000128e0: 322c 2d34 3931 2e35 3522 2f3e 0a3c 2f67  2,-491.55\"/>.</g\n-000128f0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-00012900: 635f 6772 6f6d 6163 735f 646f 6d64 6563  c_gromacs_domdec\n-00012910: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00012920: 7372 635f 6772 6f6d 6163 735f 6770 755f  src_gromacs_gpu_\n-00012930: 7574 696c 7320 2d2d 3e0a 3c67 2069 643d  utils -->.<g id=\n-00012940: 2265 6467 6531 3039 2220 636c 6173 733d  \"edge109\" class=\n-00012950: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00012960: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00012970: 735f 646f 6d64 6563 2623 3435 3b26 6774  s_domdec&#45;&gt\n-00012980: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00012990: 6163 735f 6770 755f 7574 696c 733c 2f74  acs_gpu_utils</t\n-000129a0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-000129b0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-000129c0: 2362 6662 6662 6622 2064 3d22 4d36 3437  #bfbfbf\" d=\"M647\n-000129d0: 2e39 382c 2d39 3731 2e32 3643 3630 332e  .98,-971.26C603.\n-000129e0: 3238 2c2d 3936 392e 3320 3532 362e 3535  28,-969.3 526.55\n-000129f0: 2c2d 3936 302e 3220 3437 342c 2d39 3233  ,-960.2 474,-923\n-00012a00: 2e30 3520 3434 362e 3936 2c2d 3930 332e  .05 446.96,-903.\n-00012a10: 3933 2034 3433 2e33 362c 2d38 3931 2e39  93 443.36,-891.9\n-00012a20: 3520 3433 342c 2d38 3630 2e31 3820 3432  5 434,-860.18 42\n-00012a30: 332e 3239 2c2d 3832 332e 3831 2034 3038  3.29,-823.81 408\n-00012a40: 2e32 382c 2d35 3438 2e35 3320 3433 322c  .28,-548.53 432,\n-00012a50: 2d35 3138 2e39 3620 3437 382e 3135 2c2d  -518.96 478.15,-\n-00012a60: 3436 312e 3433 2035 3335 2e37 382c 2d35  461.43 535.78,-5\n-00012a70: 3238 2e32 3420 3539 342c 2d34 3832 2e39  28.24 594,-482.9\n-00012a80: 3620 3631 302e 3934 2c2d 3436 392e 3738  6 610.94,-469.78\n-00012a90: 2036 3230 2e39 342c 2d34 3437 2e30 3120   620.94,-447.01 \n-00012aa0: 3632 362e 3339 2c2d 3432 392e 3935 222f  626.39,-429.95\"/\n-00012ab0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00012ac0: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n-00012ad0: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n-00012ae0: 733d 2236 3239 2e38 2c2d 3433 302e 3738  s=\"629.8,-430.78\n-00012af0: 2036 3239 2e32 322c 2d34 3230 2e32 2036   629.22,-420.2 6\n-00012b00: 3233 2e30 372c 2d34 3238 2e38 3320 3632  23.07,-428.83 62\n-00012b10: 392e 382c 2d34 3330 2e37 3822 2f3e 0a3c  9.8,-430.78\"/>.<\n-00012b20: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-00012b30: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n-00012b40: 6563 2623 3435 3b26 6774 3b6d 6f64 756c  ec&#45;&gt;modul\n-00012b50: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n-00012b60: 786c 6962 202d 2d3e 0a3c 6720 6964 3d22  xlib -->.<g id=\"\n-00012b70: 6564 6765 3131 3222 2063 6c61 7373 3d22  edge112\" class=\"\n-00012b80: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-00012b90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00012ba0: 5f64 6f6d 6465 6326 2334 353b 2667 743b  _domdec&#45;&gt;\n-00012bb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00012bc0: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65  cs_gmxlib</title\n-00012bd0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00012be0: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n-00012bf0: 6662 6622 2064 3d22 4d37 3134 2e39 372c  fbf\" d=\"M714.97,\n-00012c00: 2d39 3635 2e35 3143 3736 332e 3631 2c2d  -965.51C763.61,-\n-00012c10: 3935 352e 3839 2038 3535 2e35 342c 2d39  955.89 855.54,-9\n-00012c20: 3336 2e36 3520 3838 362c 2d39 3233 2e30  36.65 886,-923.0\n-00012c30: 3520 3935 302e 3131 2c2d 3839 342e 3434  5 950.11,-894.44\n-00012c40: 2039 3532 2e31 2c2d 3836 322e 3339 2031   952.1,-862.39 1\n-00012c50: 3031 362c 2d38 3333 2e33 3120 3130 3734  016,-833.31 1074\n-00012c60: 2e38 372c 2d38 3036 2e35 3220 3130 3938  .87,-806.52 1098\n-00012c70: 2e34 362c 2d38 3234 2e38 2031 3135 372c  .46,-824.8 1157,\n-00012c80: 2d37 3937 2e33 3120 3131 3735 2e34 2c2d  -797.31 1175.4,-\n-00012c90: 3738 382e 3637 2031 3137 362e 3639 2c2d  788.67 1176.69,-\n-00012ca0: 3738 312e 3120 3131 3934 2c2d 3737 302e  781.1 1194,-770.\n-00012cb0: 3434 2031 3231 342e 3737 2c2d 3735 372e  44 1214.77,-757.\n-00012cc0: 3635 2031 3233 392e 3239 2c2d 3734 352e  65 1239.29,-745.\n-00012cd0: 3039 2031 3235 382e 3039 2c2d 3733 352e  09 1258.09,-735.\n-00012ce0: 3937 222f 3e0a 3c70 6f6c 7967 6f6e 2066  97\"/>.<polygon f\n-00012cf0: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n-00012d00: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n-00012d10: 6f69 6e74 733d 2231 3235 392e 3834 2c2d  oints=\"1259.84,-\n-00012d20: 3733 392e 3031 2031 3236 372e 3334 2c2d  739.01 1267.34,-\n-00012d30: 3733 312e 3533 2031 3235 362e 3831 2c2d  731.53 1256.81,-\n-00012d40: 3733 322e 3720 3132 3539 2e38 342c 2d37  732.7 1259.84,-7\n-00012d50: 3339 2e30 3122 2f3e 0a3c 2f67 3e0a 3c21  39.01\"/>.</g>.<!\n-00012d60: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00012d70: 6f6d 6163 735f 646f 6d64 6563 2623 3435  omacs_domdec&#45\n-00012d80: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00012d90: 6772 6f6d 6163 735f 6d64 7479 7065 7320  gromacs_mdtypes \n-00012da0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n-00012db0: 3131 2220 636c 6173 733d 2265 6467 6522  11\" class=\"edge\"\n-00012dc0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00012dd0: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n-00012de0: 6563 2623 3435 3b26 6774 3b6d 6f64 756c  ec&#45;&gt;modul\n-00012df0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00012e00: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70  types</title>.<p\n-00012e10: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00012e20: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-00012e30: 2064 3d22 4d37 3034 2e30 362c 2d39 3631   d=\"M704.06,-961\n-00012e40: 2e33 3243 3732 302e 3237 2c2d 3935 332e  .32C720.27,-953.\n-00012e50: 3438 2037 3432 2e30 342c 2d39 3430 2e39  48 742.04,-940.9\n-00012e60: 3320 3735 352c 2d39 3233 2e30 3520 3831  3 755,-923.05 81\n-00012e70: 322e 372c 2d38 3433 2e34 3520 3733 382e  2.7,-843.45 738.\n-00012e80: 3639 2c2d 3738 302e 3135 2038 3035 2c2d  69,-780.15 805,-\n-00012e90: 3730 372e 3537 2038 3132 2e38 2c2d 3639  707.57 812.8,-69\n-00012ea0: 392e 3034 2038 3736 2e35 342c 2d36 3830  9.04 876.54,-680\n-00012eb0: 2e30 3920 3932 302e 3232 2c2d 3636 382e  .09 920.22,-668.\n-00012ec0: 3538 222f 3e0a 3c70 6f6c 7967 6f6e 2066  58\"/>.<polygon f\n-00012ed0: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n-00012ee0: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n-00012ef0: 6f69 6e74 733d 2239 3231 2e32 332c 2d36  oints=\"921.23,-6\n-00012f00: 3731 2e39 3420 3933 302e 3033 2c2d 3636  71.94 930.03,-66\n-00012f10: 362e 3034 2039 3139 2e34 372c 2d36 3635  6.04 919.47,-665\n-00012f20: 2e31 3620 3932 312e 3233 2c2d 3637 312e  .16 921.23,-671.\n-00012f30: 3934 222f 3e0a 3c2f 673e 0a3c 212d 2d20  94\"/>.</g>.<!-- \n-00012f40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00012f50: 6373 5f64 6f6d 6465 6326 2334 353b 2667  cs_domdec&#45;&g\n-00012f60: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00012f70: 6d61 6373 5f6d 6472 756e 7574 696c 6974  macs_mdrunutilit\n-00012f80: 7920 2d2d 3e0a 3c67 2069 643d 2265 6467  y -->.<g id=\"edg\n-00012f90: 6531 3136 2220 636c 6173 733d 2265 6467  e116\" class=\"edg\n-00012fa0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00012fb0: 655f 7372 635f 6772 6f6d 6163 735f 646f  e_src_gromacs_do\n-00012fc0: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64  mdec&#45;&gt;mod\n-00012fd0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00012fe0: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469  mdrunutility</ti\n-00012ff0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-00013000: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-00013010: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n-00013020: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-00013030: 3d22 4d37 3139 2e32 362c 2d39 3639 2e33  =\"M719.26,-969.3\n-00013040: 3643 3830 342e 3831 2c2d 3936 332e 3838  6C804.81,-963.88\n-00013050: 2031 3032 312e 3238 2c2d 3934 372e 3931   1021.28,-947.91\n-00013060: 2031 3038 392c 2d39 3233 2e30 3520 3132   1089,-923.05 12\n-00013070: 3136 2e33 352c 2d38 3736 2e33 2031 3236  16.35,-876.3 126\n-00013080: 332e 3639 2c2d 3835 332e 3335 2031 3332  3.69,-853.35 132\n-00013090: 392c 2d37 3334 2e34 3420 3133 3630 2e39  9,-734.44 1360.9\n-000130a0: 322c 2d36 3736 2e33 3220 3133 3632 2e31  2,-676.32 1362.1\n-000130b0: 352c 2d35 3935 2e32 3120 3133 3630 2e35  5,-595.21 1360.5\n-000130c0: 342c 2d35 3536 2e31 3722 2f3e 0a3c 706f  4,-556.17\"/>.<po\n-000130d0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-000130e0: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-000130f0: 3266 6363 2220 706f 696e 7473 3d22 3133  2fcc\" points=\"13\n-00013100: 3634 2e30 332c 2d35 3535 2e39 3220 3133  64.03,-555.92 13\n-00013110: 3630 2e30 322c 2d35 3436 2e31 3220 3133  60.02,-546.12 13\n-00013120: 3537 2e30 342c 2d35 3536 2e32 3820 3133  57.04,-556.28 13\n-00013130: 3634 2e30 332c 2d35 3535 2e39 3222 2f3e  64.03,-555.92\"/>\n-00013140: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00013150: 655f 7372 635f 6772 6f6d 6163 735f 646f  e_src_gromacs_do\n-00013160: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64  mdec&#45;&gt;mod\n-00013170: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00013180: 6c69 7374 6564 5f66 6f72 6365 7320 2d2d  listed_forces --\n-00013190: 3e0a 3c67 2069 643d 2265 6467 6531 3139  >.<g id=\"edge119\n-000131a0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-000131b0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-000131c0: 635f 6772 6f6d 6163 735f 646f 6d64 6563  c_gromacs_domdec\n-000131d0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-000131e0: 7372 635f 6772 6f6d 6163 735f 6c69 7374  src_gromacs_list\n-000131f0: 6564 5f66 6f72 6365 733c 2f74 6974 6c65  ed_forces</title\n-00013200: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00013210: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n-00013220: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n-00013230: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n-00013240: 3635 382e 3834 2c2d 3936 322e 3539 4336  658.84,-962.59C6\n-00013250: 3039 2e32 342c 2d39 3431 2e35 3920 3530  09.24,-941.59 50\n-00013260: 312e 3139 2c2d 3838 342e 3131 2034 3630  1.19,-884.11 460\n-00013270: 2c2d 3739 372e 3331 2034 3036 2e32 382c  ,-797.31 406.28,\n-00013280: 2d36 3834 2e30 3920 3537 392e 3231 2c2d  -684.09 579.21,-\n-00013290: 3631 392e 3935 2035 3035 2c2d 3531 382e  619.95 505,-518.\n-000132a0: 3936 2034 3733 2e32 392c 2d34 3735 2e38  96 473.29,-475.8\n-000132b0: 2034 3231 2e37 312c 2d35 3236 2e31 3220   421.71,-526.12 \n-000132c0: 3339 302c 2d34 3832 2e39 3620 3338 322e  390,-482.96 382.\n-000132d0: 3933 2c2d 3437 332e 3334 2033 3835 2e36  93,-473.34 385.6\n-000132e0: 312c 2d34 3637 2e31 3920 3339 302c 2d34  1,-467.19 390,-4\n-000132f0: 3536 2e30 3920 3434 332e 3139 2c2d 3332  56.09 443.19,-32\n-00013300: 312e 3637 2036 3339 2e31 392c 2d32 3930  1.67 639.19,-290\n-00013310: 2e38 3620 3733 392e 3737 2c2d 3238 332e  .86 739.77,-283.\n-00013320: 3839 222f 3e0a 3c70 6f6c 7967 6f6e 2066  89\"/>.<polygon f\n-00013330: 696c 6c3d 2223 3238 3266 6363 2220 7374  ill=\"#282fcc\" st\n-00013340: 726f 6b65 3d22 2332 3832 6663 6322 2070  roke=\"#282fcc\" p\n-00013350: 6f69 6e74 733d 2237 3430 2e30 332c 2d32  oints=\"740.03,-2\n-00013360: 3837 2e33 3820 3734 392e 3739 2c2d 3238  87.38 749.79,-28\n-00013370: 332e 3235 2037 3339 2e35 392c 2d32 3830  3.25 739.59,-280\n-00013380: 2e33 3920 3734 302e 3033 2c2d 3238 372e  .39 740.03,-287.\n-00013390: 3338 222f 3e0a 3c2f 673e 0a3c 212d 2d20  38\"/>.</g>.<!-- \n-000133a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000133b0: 6373 5f64 6f6d 6465 6326 2334 353b 2667  cs_domdec&#45;&g\n-000133c0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-000133d0: 6d61 6373 5f69 6d64 202d 2d3e 0a3c 6720  macs_imd -->.<g \n-000133e0: 6964 3d22 6564 6765 3131 3522 2063 6c61  id=\"edge115\" cla\n-000133f0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00013400: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00013410: 6d61 6373 5f64 6f6d 6465 6326 2334 353b  macs_domdec&#45;\n-00013420: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00013430: 726f 6d61 6373 5f69 6d64 3c2f 7469 746c  romacs_imd</titl\n-00013440: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00013450: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n-00013460: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n-00013470: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n-00013480: 4d37 3131 2e31 352c 2d39 3633 2e36 3343  M711.15,-963.63C\n-00013490: 3735 302e 3435 2c2d 3935 332e 3420 3832  750.45,-953.4 82\n-000134a0: 302e 3339 2c2d 3933 352e 3338 2038 3434  0.39,-935.38 844\n-000134b0: 2c2d 3932 332e 3035 2038 3630 2e37 372c  ,-923.05 860.77,\n-000134c0: 2d39 3134 2e33 2038 3631 2e37 382c 2d39  -914.3 861.78,-9\n-000134d0: 3037 2e34 3120 3837 372c 2d38 3936 2e31  07.41 877,-896.1\n-000134e0: 3820 3930 302e 3231 2c2d 3837 392e 3036  8 900.21,-879.06\n-000134f0: 2039 3038 2e35 312c 2d38 3738 2e32 3420   908.51,-878.24 \n-00013500: 3933 312c 2d38 3630 2e31 3820 3934 342e  931,-860.18 944.\n-00013510: 3435 2c2d 3834 392e 3338 2039 3433 2e38  45,-849.38 943.8\n-00013520: 2c2d 3834 312e 3436 2039 3539 2c2d 3833  ,-841.46 959,-83\n-00013530: 332e 3331 2031 3032 332e 3631 2c2d 3739  3.31 1023.61,-79\n-00013540: 382e 3635 2031 3035 392e 3939 2c2d 3833  8.65 1059.99,-83\n-00013550: 392e 3434 2031 3132 302c 2d37 3937 2e33  9.44 1120,-797.3\n-00013560: 3120 3131 3437 2e31 312c 2d37 3738 2e32  1 1147.11,-778.2\n-00013570: 3820 3131 3432 2e33 372c 2d37 3632 2e34  8 1142.37,-762.4\n-00013580: 3720 3131 3630 2c2d 3733 342e 3434 2031  7 1160,-734.44 1\n-00013590: 3232 302e 3035 2c2d 3633 382e 3938 2031  220.05,-638.98 1\n-000135a0: 3232 382e 3336 2c2d 3631 302e 3637 2031  228.36,-610.67 1\n-000135b0: 3239 342c 2d35 3138 2e39 3620 3133 3933  294,-518.96 1393\n-000135c0: 2e31 332c 2d33 3830 2e34 3520 3135 3238  .13,-380.45 1528\n-000135d0: 2e36 352c 2d32 3235 2e39 3820 3135 3739  .65,-225.98 1579\n-000135e0: 2e37 342c 2d31 3734 2e31 3922 2f3e 0a3c  .74,-174.19\"/>.<\n-000135f0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n-00013600: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n-00013610: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n-00013620: 3135 3832 2e33 312c 2d31 3736 2e35 3720  1582.31,-176.57 \n-00013630: 3135 3836 2e39 332c 2d31 3637 2e30 3420  1586.93,-167.04 \n-00013640: 3135 3737 2e33 372c 2d31 3731 2e36 3120  1577.37,-171.61 \n-00013650: 3135 3832 2e33 312c 2d31 3736 2e35 3722  1582.31,-176.57\"\n-00013660: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00013670: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00013680: 646f 6d64 6563 2623 3435 3b26 6774 3b6d  domdec&#45;&gt;m\n-00013690: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-000136a0: 735f 6577 616c 6420 2d2d 3e0a 3c67 2069  s_ewald -->.<g i\n-000136b0: 643d 2265 6467 6531 3134 2220 636c 6173  d=\"edge114\" clas\n-000136c0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-000136d0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-000136e0: 6163 735f 646f 6d64 6563 2623 3435 3b26  acs_domdec&#45;&\n-000136f0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00013700: 6f6d 6163 735f 6577 616c 643c 2f74 6974  omacs_ewald</tit\n-00013710: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-00013720: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265  none\" stroke=\"re\n-00013730: 6422 2064 3d22 4d36 3438 2e34 352c 2d39  d\" d=\"M648.45,-9\n-00013740: 3639 2e36 3643 3538 332e 3232 2c2d 3936  69.66C583.22,-96\n-00013750: 352e 3431 2034 3438 2e37 332c 2d39 3532  5.41 448.73,-952\n-00013760: 2e38 3420 3431 352c 2d39 3233 2e30 3520  .84 415,-923.05 \n-00013770: 3339 332e 3032 2c2d 3930 332e 3634 2034  393.02,-903.64 4\n-00013780: 3032 2e33 392c 2d38 3838 2e35 3620 3339  02.39,-888.56 39\n-00013790: 352c 2d38 3630 2e31 3820 3338 392e 3631  5,-860.18 389.61\n-000137a0: 2c2d 3833 392e 3438 2033 3230 2e31 352c  ,-839.48 320.15,\n-000137b0: 2d35 3034 2e32 3420 3331 382c 2d34 3832  -504.24 318,-482\n-000137c0: 2e39 3620 3330 352e 322c 2d33 3536 2e32  .96 305.2,-356.2\n-000137d0: 3620 3238 312e 3433 2c2d 3237 372e 3320  6 281.43,-277.3 \n-000137e0: 3338 362c 2d32 3034 2e36 3120 3433 322e  386,-204.61 432.\n-000137f0: 3733 2c2d 3137 322e 3133 2034 3939 2e37  73,-172.13 499.7\n-00013800: 352c 2d31 3631 2e34 3320 3534 312e 3934  5,-161.43 541.94\n-00013810: 2c2d 3135 372e 3922 2f3e 0a3c 706f 6c79  ,-157.9\"/>.<poly\n-00013820: 676f 6e20 6669 6c6c 3d22 7265 6422 2073  gon fill=\"red\" s\n-00013830: 7472 6f6b 653d 2272 6564 2220 706f 696e  troke=\"red\" poin\n-00013840: 7473 3d22 3534 322e 3339 2c2d 3136 312e  ts=\"542.39,-161.\n-00013850: 3338 2035 3532 2e31 312c 2d31 3537 2e31  38 552.11,-157.1\n-00013860: 3520 3534 312e 3838 2c2d 3135 342e 3420  5 541.88,-154.4 \n-00013870: 3534 322e 3339 2c2d 3136 312e 3338 222f  542.39,-161.38\"/\n-00013880: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00013890: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64  le_src_gromacs_d\n-000138a0: 6f6d 6465 6326 2334 353b 2667 743b 6d6f  omdec&#45;&gt;mo\n-000138b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-000138c0: 5f66 696c 6569 6f20 2d2d 3e0a 3c67 2069  _fileio -->.<g i\n-000138d0: 643d 2265 6467 6531 3230 2220 636c 6173  d=\"edge120\" clas\n-000138e0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-000138f0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00013900: 6163 735f 646f 6d64 6563 2623 3435 3b26  acs_domdec&#45;&\n-00013910: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00013920: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469  omacs_fileio</ti\n-00013930: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-00013940: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-00013950: 6266 6266 6266 2220 643d 224d 3731 382e  bfbfbf\" d=\"M718.\n-00013960: 3935 2c2d 3936 392e 3034 4338 3538 2e35  95,-969.04C858.5\n-00013970: 372c 2d39 3539 2e32 3920 3133 3735 2e36  7,-959.29 1375.6\n-00013980: 342c 2d39 3233 2e31 3520 3135 3138 2e33  4,-923.15 1518.3\n-00013990: 322c 2d39 3133 2e31 3822 2f3e 0a3c 706f  2,-913.18\"/>.<po\n-000139a0: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n-000139b0: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n-000139c0: 6266 6266 2220 706f 696e 7473 3d22 3135  bfbf\" points=\"15\n-000139d0: 3138 2e35 392c 2d39 3136 2e36 3720 3135  18.59,-916.67 15\n-000139e0: 3238 2e33 322c 2d39 3132 2e34 3820 3135  28.32,-912.48 15\n-000139f0: 3138 2e31 2c2d 3930 392e 3639 2031 3531  18.1,-909.69 151\n-00013a00: 382e 3539 2c2d 3931 362e 3637 222f 3e0a  8.59,-916.67\"/>.\n-00013a10: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00013a20: 5f73 7263 5f67 726f 6d61 6373 5f73 7761  _src_gromacs_swa\n-00013a30: 7026 2334 353b 2667 743b 6d6f 6475 6c65  p&#45;&gt;module\n-00013a40: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d  _src_gromacs_dom\n-00013a50: 6465 6320 2d2d 3e0a 3c67 2069 643d 2265  dec -->.<g id=\"e\n-00013a60: 6467 6531 3231 2220 636c 6173 733d 2265  dge121\" class=\"e\n-00013a70: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-00013a80: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00013a90: 7377 6170 2623 3435 3b26 6774 3b6d 6f64  swap&#45;&gt;mod\n-00013aa0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00013ab0: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c  domdec</title>.<\n-00013ac0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00013ad0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-00013ae0: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-00013af0: 6179 3d22 352c 3222 2064 3d22 4d39 3231  ay=\"5,2\" d=\"M921\n-00013b00: 2e38 322c 2d31 3032 382e 3734 4338 3736  .82,-1028.74C876\n-00013b10: 2e35 2c2d 3130 3138 2e32 3120 3737 382e  .5,-1018.21 778.\n-00013b20: 3431 2c2d 3939 352e 3432 2037 3233 2e34  41,-995.42 723.4\n-00013b30: 322c 2d39 3832 2e36 3422 2f3e 0a3c 706f  2,-982.64\"/>.<po\n-00013b40: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-00013b50: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-00013b60: 3266 6363 2220 706f 696e 7473 3d22 3732  2fcc\" points=\"72\n-00013b70: 342e 3231 2c2d 3937 392e 3233 2037 3133  4.21,-979.23 713\n-00013b80: 2e36 372c 2d39 3830 2e33 3820 3732 322e  .67,-980.38 722.\n-00013b90: 3632 2c2d 3938 362e 3035 2037 3234 2e32  62,-986.05 724.2\n-00013ba0: 312c 2d39 3739 2e32 3322 2f3e 0a3c 2f67  1,-979.23\"/>.</g\n-00013bb0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-00013bc0: 635f 6772 6f6d 6163 735f 7377 6170 2623  c_gromacs_swap&#\n-00013bd0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00013be0: 635f 6772 6f6d 6163 735f 6d64 6c69 6220  c_gromacs_mdlib \n-00013bf0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n-00013c00: 3234 2220 636c 6173 733d 2265 6467 6522  24\" class=\"edge\"\n-00013c10: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00013c20: 7372 635f 6772 6f6d 6163 735f 7377 6170  src_gromacs_swap\n-00013c30: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00013c40: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n-00013c50: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n-00013c60: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-00013c70: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n-00013c80: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-00013c90: 2c32 2220 643d 224d 3935 322e 3434 2c2d  ,2\" d=\"M952.44,-\n-00013ca0: 3130 3232 2e30 3243 3936 322e 3733 2c2d  1022.02C962.73,-\n-00013cb0: 3130 3032 2e37 3820 3938 322e 3935 2c2d  1002.78 982.95,-\n-00013cc0: 3936 362e 3938 2039 3935 2c2d 3935 392e  966.98 995,-959.\n-00013cd0: 3035 2031 3037 332e 3733 2c2d 3930 372e  05 1073.73,-907.\n-00013ce0: 3232 2031 3132 332e 3638 2c2d 3937 322e  22 1123.68,-972.\n-00013cf0: 3338 2031 3230 342c 2d39 3233 2e30 3520  38 1204,-923.05 \n-00013d00: 3132 3136 2e36 392c 2d39 3135 2e32 3620  1216.69,-915.26 \n-00013d10: 3132 3133 2e38 342c 2d39 3037 2e30 3620  1213.84,-907.06 \n-00013d20: 3132 3234 2c2d 3839 362e 3138 2031 3234  1224,-896.18 124\n-00013d30: 302e 3738 2c2d 3837 382e 3231 2031 3234  0.78,-878.21 124\n-00013d40: 382e 3639 2c2d 3837 372e 3634 2031 3236  8.69,-877.64 126\n-00013d50: 362c 2d38 3630 2e31 3820 3133 3134 2e32  6,-860.18 1314.2\n-00013d60: 312c 2d38 3131 2e35 3720 3133 3237 2e34  1,-811.57 1327.4\n-00013d70: 362c 2d37 3937 2e31 3220 3133 3535 2c2d  6,-797.12 1355,-\n-00013d80: 3733 342e 3434 2031 3339 342e 3939 2c2d  734.44 1394.99,-\n-00013d90: 3634 332e 3433 2031 3433 392e 3639 2c2d  643.43 1439.69,-\n-00013da0: 3631 352e 3236 2031 3431 352c 2d35 3138  615.26 1415,-518\n-00013db0: 2e39 3620 3134 3131 2e30 342c 2d35 3033  .96 1411.04,-503\n-00013dc0: 2e35 3220 3132 3837 2e30 372c 2d32 3739  .52 1287.07,-279\n-00013dd0: 2e38 3320 3132 3737 2c2d 3236 372e 3438  .83 1277,-267.48\n-00013de0: 2031 3236 372e 3332 2c2d 3235 352e 3631   1267.32,-255.61\n-00013df0: 2031 3235 342e 3436 2c2d 3234 342e 3420   1254.46,-244.4 \n-00013e00: 3132 3433 2e34 312c 2d32 3335 2e37 3622  1243.41,-235.76\"\n-00013e10: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00013e20: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-00013e30: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n-00013e40: 7473 3d22 3132 3435 2e34 372c 2d32 3332  ts=\"1245.47,-232\n-00013e50: 2e39 3320 3132 3335 2e33 392c 2d32 3239  .93 1235.39,-229\n-00013e60: 2e36 3820 3132 3431 2e32 352c 2d32 3338  .68 1241.25,-238\n-00013e70: 2e35 3120 3132 3435 2e34 372c 2d32 3332  .51 1245.47,-232\n-00013e80: 2e39 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .93\"/>.</g>.<!--\n-00013e90: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-00013ea0: 6163 735f 7377 6170 2623 3435 3b26 6774  acs_swap&#45;&gt\n-00013eb0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00013ec0: 6163 735f 676d 786c 6962 202d 2d3e 0a3c  acs_gmxlib -->.<\n-00013ed0: 6720 6964 3d22 6564 6765 3132 3322 2063  g id=\"edge123\" c\n-00013ee0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-00013ef0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-00013f00: 726f 6d61 6373 5f73 7761 7026 2334 353b  romacs_swap&#45;\n-00013f10: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00013f20: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74  romacs_gmxlib</t\n-00013f30: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-00013f40: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-00013f50: 2362 6662 6662 6622 2064 3d22 4d39 3433  #bfbfbf\" d=\"M943\n-00013f60: 2e32 322c 2d31 3032 312e 3833 4339 3430  .22,-1021.83C940\n-00013f70: 2e33 322c 2d31 3030 352e 3139 2039 3338  .32,-1005.19 938\n-00013f80: 2e31 372c 2d39 3735 2e39 3320 3935 342c  .17,-975.93 954,\n-00013f90: 2d39 3539 2e30 3520 3130 3138 2e37 382c  -959.05 1018.78,\n-00013fa0: 2d38 3839 2e39 3920 3130 3830 2e34 312c  -889.99 1080.41,\n-00013fb0: 2d39 3637 2e35 3620 3131 3634 2c2d 3932  -967.56 1164,-92\n-00013fc0: 332e 3035 2031 3138 312e 3035 2c2d 3931  3.05 1181.05,-91\n-00013fd0: 332e 3937 2031 3231 322e 3039 2c2d 3837  3.97 1212.09,-87\n-00013fe0: 352e 3339 2031 3232 342c 2d38 3630 2e31  5.39 1224,-860.1\n-00013ff0: 3820 3132 3434 2e34 322c 2d38 3334 2e31  8 1244.42,-834.1\n-00014000: 3120 3132 3439 2e39 372c 2d38 3237 2e33  1 1249.97,-827.3\n-00014010: 3120 3132 3634 2c2d 3739 372e 3331 2031  1 1264,-797.31 1\n-00014020: 3237 312e 3935 2c2d 3738 302e 3331 2031  271.95,-780.31 1\n-00014030: 3237 382e 3236 2c2d 3735 392e 3937 2031  278.26,-759.97 1\n-00014040: 3238 322e 3431 2c2d 3734 342e 3732 222f  282.41,-744.72\"/\n-00014050: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00014060: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n-00014070: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n-00014080: 733d 2231 3238 352e 392c 2d37 3435 2e32  s=\"1285.9,-745.2\n-00014090: 2031 3238 352e 3034 2c2d 3733 342e 3634   1285.04,-734.64\n-000140a0: 2031 3237 392e 3133 2c2d 3734 332e 3433   1279.13,-743.43\n-000140b0: 2031 3238 352e 392c 2d37 3435 2e32 222f   1285.9,-745.2\"/\n-000140c0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-000140d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73  le_src_gromacs_s\n-000140e0: 7761 7026 2334 353b 2667 743b 6d6f 6475  wap&#45;&gt;modu\n-000140f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-00014100: 6474 7970 6573 202d 2d3e 0a3c 6720 6964  dtypes -->.<g id\n-00014110: 3d22 6564 6765 3132 3622 2063 6c61 7373  =\"edge126\" class\n-00014120: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-00014130: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00014140: 6373 5f73 7761 7026 2334 353b 2667 743b  cs_swap&#45;&gt;\n-00014150: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00014160: 6373 5f6d 6474 7970 6573 3c2f 7469 746c  cs_mdtypes</titl\n-00014170: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00014180: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n-00014190: 6266 6266 2220 643d 224d 3934 302e 3138  bfbf\" d=\"M940.18\n-000141a0: 2c2d 3130 3232 2e32 3143 3933 332e 3337  ,-1022.21C933.37\n-000141b0: 2c2d 3130 3035 2e39 3920 3932 342e 3639  ,-1005.99 924.69\n-000141c0: 2c2d 3937 372e 3220 3933 392c 2d39 3539  ,-977.2 939,-959\n-000141d0: 2e30 3520 3938 312e 3435 2c2d 3930 352e  .05 981.45,-905.\n-000141e0: 3231 2031 3034 362e 3535 2c2d 3937 362e  21 1046.55,-976.\n-000141f0: 3839 2031 3038 392c 2d39 3233 2e30 3520  89 1089,-923.05 \n-00014200: 3131 3130 2e39 372c 2d38 3935 2e31 3920  1110.97,-895.19 \n-00014210: 3130 3631 2e36 342c 2d38 3837 2e31 2031  1061.64,-887.1 1\n-00014220: 3034 312c 2d37 3937 2e33 3120 3130 3332  041,-797.31 1032\n-00014230: 2e30 362c 2d37 3538 2e34 3420 3130 3631  .06,-758.44 1061\n-00014240: 2e36 382c 2d37 3432 2e32 3720 3130 3432  .68,-742.27 1042\n-00014250: 2c2d 3730 372e 3537 2031 3033 322e 3437  ,-707.57 1032.47\n-00014260: 2c2d 3639 302e 3737 2031 3031 342e 3535  ,-690.77 1014.55\n-00014270: 2c2d 3637 392e 3137 2039 3937 2e39 382c  ,-679.17 997.98,\n-00014280: 2d36 3731 2e35 3522 2f3e 0a3c 706f 6c79  -671.55\"/>.<poly\n-00014290: 676f 6e20 6669 6c6c 3d22 2362 6662 6662  gon fill=\"#bfbfb\n-000142a0: 6622 2073 7472 6f6b 653d 2223 6266 6266  f\" stroke=\"#bfbf\n-000142b0: 6266 2220 706f 696e 7473 3d22 3939 392e  bf\" points=\"999.\n-000142c0: 3032 2c2d 3636 382e 3139 2039 3838 2e34  02,-668.19 988.4\n-000142d0: 352c 2d36 3637 2e35 3120 3939 362e 3239  5,-667.51 996.29\n-000142e0: 2c2d 3637 342e 3634 2039 3939 2e30 322c  ,-674.64 999.02,\n-000142f0: 2d36 3638 2e31 3922 2f3e 0a3c 2f67 3e0a  -668.19\"/>.</g>.\n-00014300: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00014310: 6772 6f6d 6163 735f 7377 6170 2623 3435  gromacs_swap&#45\n-00014320: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00014330: 6772 6f6d 6163 735f 6d64 7275 6e75 7469  gromacs_mdrunuti\n-00014340: 6c69 7479 202d 2d3e 0a3c 6720 6964 3d22  lity -->.<g id=\"\n-00014350: 6564 6765 3132 3522 2063 6c61 7373 3d22  edge125\" class=\"\n-00014360: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-00014370: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00014380: 5f73 7761 7026 2334 353b 2667 743b 6d6f  _swap&#45;&gt;mo\n-00014390: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-000143a0: 5f6d 6472 756e 7574 696c 6974 793c 2f74  _mdrunutility</t\n-000143b0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-000143c0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-000143d0: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n-000143e0: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n-000143f0: 643d 224d 3934 362e 3932 2c2d 3130 3231  d=\"M946.92,-1021\n-00014400: 2e37 3743 3934 382e 3839 2c2d 3130 3034  .77C948.89,-1004\n-00014410: 2e37 3820 3935 352c 2d39 3734 2e38 3120  .78 955,-974.81 \n-00014420: 3937 342c 2d39 3539 2e30 3520 3130 3436  974,-959.05 1046\n-00014430: 2e38 392c 2d38 3938 2e36 3120 3131 3030  .89,-898.61 1100\n-00014440: 2e34 312c 2d39 3637 2e35 3620 3131 3834  .41,-967.56 1184\n-00014450: 2c2d 3932 332e 3035 2031 3230 312e 3035  ,-923.05 1201.05\n-00014460: 2c2d 3931 332e 3937 2031 3239 322e 3336  ,-913.97 1292.36\n-00014470: 2c2d 3831 322e 3732 2031 3330 342c 2d37  ,-812.72 1304,-7\n-00014480: 3937 2e33 3120 3133 3537 2e31 392c 2d37  97.31 1357.19,-7\n-00014490: 3236 2e39 2031 3336 312e 382c 2d36 3936  26.9 1361.8,-696\n-000144a0: 2e38 3420 3133 3636 2c2d 3630 382e 3720  .84 1366,-608.7 \n-000144b0: 3133 3636 2e35 372c 2d35 3936 2e37 3720  1366.57,-596.77 \n-000144c0: 3133 3636 2e38 362c 2d35 3933 2e37 3420  1366.86,-593.74 \n-000144d0: 3133 3636 2c2d 3538 312e 3833 2031 3336  1366,-581.83 136\n-000144e0: 352e 3339 2c2d 3537 332e 3335 2031 3336  5.39,-573.35 136\n-000144f0: 342e 3139 2c2d 3536 342e 3039 2031 3336  4.19,-564.09 136\n-00014500: 322e 3935 2c2d 3535 352e 3936 222f 3e0a  2.95,-555.96\"/>.\n-00014510: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-00014520: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n-00014530: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n-00014540: 2231 3336 362e 342c 2d35 3535 2e34 2031  \"1366.4,-555.4 1\n-00014550: 3336 312e 3334 2c2d 3534 362e 3039 2031  361.34,-546.09 1\n-00014560: 3335 392e 3439 2c2d 3535 362e 3532 2031  359.49,-556.52 1\n-00014570: 3336 362e 342c 2d35 3535 2e34 222f 3e0a  366.4,-555.4\"/>.\n-00014580: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00014590: 5f73 7263 5f67 726f 6d61 6373 5f73 7761  _src_gromacs_swa\n-000145a0: 7026 2334 353b 2667 743b 6d6f 6475 6c65  p&#45;&gt;module\n-000145b0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c  _src_gromacs_fil\n-000145c0: 6569 6f20 2d2d 3e0a 3c67 2069 643d 2265  eio -->.<g id=\"e\n-000145d0: 6467 6531 3232 2220 636c 6173 733d 2265  dge122\" class=\"e\n-000145e0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-000145f0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00014600: 7377 6170 2623 3435 3b26 6774 3b6d 6f64  swap&#45;&gt;mod\n-00014610: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00014620: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c  fileio</title>.<\n-00014630: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00014640: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n-00014650: 2220 643d 224d 3936 372e 3235 2c2d 3130  \" d=\"M967.25,-10\n-00014660: 3236 2e36 3343 3130 3039 2e37 352c 2d31  26.63C1009.75,-1\n-00014670: 3031 312e 3435 2031 3130 382e 3438 2c2d  011.45 1108.48,-\n-00014680: 3937 372e 3634 2031 3139 342c 2d39 3539  977.64 1194,-959\n-00014690: 2e30 3520 3133 3131 2e30 372c 2d39 3333  .05 1311.07,-933\n-000146a0: 2e36 2031 3435 322e 3537 2c2d 3931 392e  .6 1452.57,-919.\n-000146b0: 3239 2031 3531 382e 3233 2c2d 3931 332e  29 1518.23,-913.\n-000146c0: 3537 222f 3e0a 3c70 6f6c 7967 6f6e 2066  57\"/>.<polygon f\n-000146d0: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n-000146e0: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n-000146f0: 6f69 6e74 733d 2231 3531 382e 3831 2c2d  oints=\"1518.81,-\n-00014700: 3931 372e 3034 2031 3532 382e 3438 2c2d  917.04 1528.48,-\n-00014710: 3931 322e 3720 3135 3138 2e32 312c 2d39  912.7 1518.21,-9\n-00014720: 3130 2e30 3620 3135 3138 2e38 312c 2d39  10.06 1518.81,-9\n-00014730: 3137 2e30 3422 2f3e 0a3c 2f67 3e0a 3c21  17.04\"/>.</g>.<!\n-00014740: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00014750: 6f6d 6163 735f 6d64 6c69 6226 2334 353b  omacs_mdlib&#45;\n-00014760: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00014770: 726f 6d61 6373 5f74 6162 6c65 7320 2d2d  romacs_tables --\n-00014780: 3e0a 3c67 2069 643d 2265 6467 6531 3432  >.<g id=\"edge142\n-00014790: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-000147a0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-000147b0: 635f 6772 6f6d 6163 735f 6d64 6c69 6226  c_gromacs_mdlib&\n-000147c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-000147d0: 7263 5f67 726f 6d61 6373 5f74 6162 6c65  rc_gromacs_table\n-000147e0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820  s</title>.<path \n-000147f0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-00014800: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n-00014810: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-00014820: 2c32 2220 643d 224d 3132 3032 2e38 312c  ,2\" d=\"M1202.81,\n-00014830: 2d32 3037 2e32 3743 3131 3835 2e37 382c  -207.27C1185.78,\n-00014840: 2d31 3937 2e35 3820 3131 3539 2e34 342c  -197.58 1159.44,\n-00014850: 2d31 3832 2e36 2031 3133 392e 3639 2c2d  -182.6 1139.69,-\n-00014860: 3137 312e 3336 222f 3e0a 3c70 6f6c 7967  171.36\"/>.<polyg\n-00014870: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n-00014880: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-00014890: 6322 2070 6f69 6e74 733d 2231 3134 312e  c\" points=\"1141.\n-000148a0: 3238 2c2d 3136 382e 3234 2031 3133 302e  28,-168.24 1130.\n-000148b0: 3836 2c2d 3136 362e 3334 2031 3133 372e  86,-166.34 1137.\n-000148c0: 3832 2c2d 3137 342e 3332 2031 3134 312e  82,-174.32 1141.\n-000148d0: 3238 2c2d 3136 382e 3234 222f 3e0a 3c2f  28,-168.24\"/>.</\n-000148e0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-000148f0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n-00014900: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00014910: 7372 635f 6772 6f6d 6163 735f 6573 7365  src_gromacs_esse\n-00014920: 6e74 6961 6c64 796e 616d 6963 7320 2d2d  ntialdynamics --\n-00014930: 3e0a 3c67 2069 643d 2265 6467 6531 3332  >.<g id=\"edge132\n-00014940: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-00014950: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00014960: 635f 6772 6f6d 6163 735f 6d64 6c69 6226  c_gromacs_mdlib&\n-00014970: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00014980: 7263 5f67 726f 6d61 6373 5f65 7373 656e  rc_gromacs_essen\n-00014990: 7469 616c 6479 6e61 6d69 6373 3c2f 7469  tialdynamics</ti\n-000149a0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-000149b0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-000149c0: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n-000149d0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-000149e0: 3d22 4d31 3233 362e 3639 2c2d 3230 372e  =\"M1236.69,-207.\n-000149f0: 3133 4331 3235 362e 3234 2c2d 3139 372e  13C1256.24,-197.\n-00014a00: 3431 2031 3238 382e 3839 2c2d 3138 322e  41 1288.89,-182.\n-00014a10: 3436 2031 3331 342e 3836 2c2d 3137 312e  46 1314.86,-171.\n-00014a20: 3236 222f 3e0a 3c70 6f6c 7967 6f6e 2066  26\"/>.<polygon f\n-00014a30: 696c 6c3d 2223 3238 3266 6363 2220 7374  ill=\"#282fcc\" st\n-00014a40: 726f 6b65 3d22 2332 3832 6663 6322 2070  roke=\"#282fcc\" p\n-00014a50: 6f69 6e74 733d 2231 3331 362e 3237 2c2d  oints=\"1316.27,-\n-00014a60: 3137 342e 3437 2031 3332 342e 3039 2c2d  174.47 1324.09,-\n-00014a70: 3136 372e 3333 2031 3331 332e 3532 2c2d  167.33 1313.52,-\n-00014a80: 3136 382e 3033 2031 3331 362e 3237 2c2d  168.03 1316.27,-\n-00014a90: 3137 342e 3437 222f 3e0a 3c2f 673e 0a3c  174.47\"/>.</g>.<\n-00014aa0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-00014ab0: 726f 6d61 6373 5f6d 646c 6962 2623 3435  romacs_mdlib&#45\n-00014ac0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00014ad0: 6772 6f6d 6163 735f 6e62 6e78 6d20 2d2d  gromacs_nbnxm --\n-00014ae0: 3e0a 3c67 2069 643d 2265 6467 6531 3337  >.<g id=\"edge137\n-00014af0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-00014b00: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00014b10: 635f 6772 6f6d 6163 735f 6d64 6c69 6226  c_gromacs_mdlib&\n-00014b20: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00014b30: 7263 5f67 726f 6d61 6373 5f6e 626e 786d  rc_gromacs_nbnxm\n-00014b40: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00014b50: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00014b60: 653d 2272 6564 2220 643d 224d 3131 3932  e=\"red\" d=\"M1192\n-00014b70: 2e31 322c 2d32 3231 2e31 3743 3131 3430  .12,-221.17C1140\n-00014b80: 2e31 382c 2d32 3235 2e34 3420 3130 3236  .18,-225.44 1026\n-00014b90: 2e33 382c 2d32 3337 2e33 3620 3933 352c  .38,-237.36 935,\n-00014ba0: 2d32 3637 2e34 3820 3838 382e 362c 2d32  -267.48 888.6,-2\n-00014bb0: 3832 2e37 3720 3833 382e 3835 2c2d 3331  82.77 838.85,-31\n-00014bc0: 312e 3036 2038 3038 2e31 312c 2d33 3238  1.06 808.11,-328\n-00014bd0: 2e32 3822 2f3e 0a3c 706f 6c79 676f 6e20  .28\"/>.<polygon \n-00014be0: 6669 6c6c 3d22 7265 6422 2073 7472 6f6b  fill=\"red\" strok\n-00014bf0: 653d 2272 6564 2220 706f 696e 7473 3d22  e=\"red\" points=\"\n-00014c00: 3830 362e 3234 2c2d 3332 352e 3332 2037  806.24,-325.32 7\n-00014c10: 3939 2e32 2c2d 3333 332e 3234 2038 3039  99.2,-333.24 809\n-00014c20: 2e36 342c 2d33 3331 2e34 3320 3830 362e  .64,-331.43 806.\n-00014c30: 3234 2c2d 3332 352e 3332 222f 3e0a 3c2f  24,-325.32\"/>.</\n-00014c40: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00014c50: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n-00014c60: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00014c70: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n-00014c80: 6563 202d 2d3e 0a3c 6720 6964 3d22 6564  ec -->.<g id=\"ed\n-00014c90: 6765 3133 3022 2063 6c61 7373 3d22 6564  ge130\" class=\"ed\n-00014ca0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-00014cb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-00014cc0: 646c 6962 2623 3435 3b26 6774 3b6d 6f64  dlib&#45;&gt;mod\n-00014cd0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00014ce0: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c  domdec</title>.<\n-00014cf0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00014d00: 2073 7472 6f6b 653d 2272 6564 2220 643d   stroke=\"red\" d=\n-00014d10: 224d 3132 3137 2e33 392c 2d32 3331 2e37  \"M1217.39,-231.7\n-00014d20: 3843 3132 3131 2e33 322c 2d32 3431 2e35  8C1211.32,-241.5\n-00014d30: 3520 3132 3030 2e34 382c 2d32 3535 2e33  5 1200.48,-255.3\n-00014d40: 3620 3131 3931 2c2d 3236 372e 3438 2031  6 1191,-267.48 1\n-00014d50: 3134 372e 3335 2c2d 3332 332e 3239 2031  147.35,-323.29 1\n-00014d60: 3133 362e 352c 2d33 3337 2e32 3920 3130  136.5,-337.29 10\n-00014d70: 3933 2c2d 3339 332e 3232 2039 3936 2e38  93,-393.22 996.8\n-00014d80: 372c 2d35 3136 2e38 3320 3939 392e 3039  7,-516.83 999.09\n-00014d90: 2c2d 3537 332e 3532 2038 3737 2c2d 3637  ,-573.52 877,-67\n-00014da0: 312e 3537 2038 3437 2e38 362c 2d36 3934  1.57 847.86,-694\n-00014db0: 2e39 3720 3832 372e 3034 2c2d 3638 302e  .97 827.04,-680.\n-00014dc0: 3736 2038 3031 2c2d 3730 372e 3537 2037  76 801,-707.57 7\n-00014dd0: 3735 2e35 342c 2d37 3333 2e37 3920 3736  75.54,-733.79 76\n-00014de0: 382c 2d37 3436 2e33 3320 3736 382c 2d37  8,-746.33 768,-7\n-00014df0: 3832 2e38 3820 3736 382c 2d38 3437 2e37  82.88 768,-847.7\n-00014e00: 3520 3736 382c 2d38 3437 2e37 3520 3736  5 768,-847.75 76\n-00014e10: 382c 2d38 3437 2e37 3520 3736 382c 2d38  8,-847.75 768,-8\n-00014e20: 3930 2e38 3120 3733 342e 3336 2c2d 3933  90.81 734.36,-93\n-00014e30: 312e 3639 2037 3039 2e34 342c 2d39 3534  1.69 709.44,-954\n-00014e40: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-00014e50: 6c3d 2272 6564 2220 7374 726f 6b65 3d22  l=\"red\" stroke=\"\n-00014e60: 7265 6422 2070 6f69 6e74 733d 2237 3037  red\" points=\"707\n-00014e70: 2e30 362c 2d39 3531 2e34 3320 3730 312e  .06,-951.43 701.\n-00014e80: 3731 2c2d 3936 302e 3537 2037 3131 2e35  71,-960.57 711.5\n-00014e90: 392c 2d39 3536 2e37 3620 3730 372e 3036  9,-956.76 707.06\n-00014ea0: 2c2d 3935 312e 3433 222f 3e0a 3c2f 673e  ,-951.43\"/>.</g>\n-00014eb0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00014ec0: 5f67 726f 6d61 6373 5f6d 646c 6962 2623  _gromacs_mdlib&#\n-00014ed0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00014ee0: 635f 6772 6f6d 6163 735f 636f 6d70 6174  c_gromacs_compat\n-00014ef0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-00014f00: 3134 3322 2063 6c61 7373 3d22 6564 6765  143\" class=\"edge\n-00014f10: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00014f20: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c  _src_gromacs_mdl\n-00014f30: 6962 2623 3435 3b26 6774 3b6d 6f64 756c  ib&#45;&gt;modul\n-00014f40: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n-00014f50: 6d70 6174 3c2f 7469 746c 653e 0a3c 7061  mpat</title>.<pa\n-00014f60: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-00014f70: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-00014f80: 643d 224d 3131 3933 2e34 312c 2d32 3133  d=\"M1193.41,-213\n-00014f90: 2e31 3943 3131 3232 2e33 362c 2d32 3032  .19C1122.36,-202\n-00014fa0: 2e39 2039 3237 2e37 312c 2d31 3734 2e36  .9 927.71,-174.6\n-00014fb0: 3820 3834 312e 3735 2c2d 3136 322e 3233  8 841.75,-162.23\n-00014fc0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-00014fd0: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n-00014fe0: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n-00014ff0: 6e74 733d 2238 3432 2e32 322c 2d31 3538  nts=\"842.22,-158\n-00015000: 2e37 3620 3833 312e 3832 2c2d 3136 302e  .76 831.82,-160.\n-00015010: 3739 2038 3431 2e32 312c 2d31 3635 2e36  79 841.21,-165.6\n-00015020: 3820 3834 322e 3232 2c2d 3135 382e 3736  8 842.22,-158.76\n-00015030: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-00015040: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00015050: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d  _mdlib&#45;&gt;m\n-00015060: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00015070: 735f 6861 7264 7761 7265 202d 2d3e 0a3c  s_hardware -->.<\n-00015080: 6720 6964 3d22 6564 6765 3134 3422 2063  g id=\"edge144\" c\n-00015090: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-000150a0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-000150b0: 726f 6d61 6373 5f6d 646c 6962 2623 3435  romacs_mdlib&#45\n-000150c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-000150d0: 6772 6f6d 6163 735f 6861 7264 7761 7265  gromacs_hardware\n-000150e0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-000150f0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00015100: 653d 2272 6564 2220 643d 224d 3131 3931  e=\"red\" d=\"M1191\n-00015110: 2e37 332c 2d32 3139 2e39 3343 3130 3937  .73,-219.93C1097\n-00015120: 2e32 342c 2d32 3233 2e31 3420 3739 332e  .24,-223.14 793.\n-00015130: 3039 2c2d 3233 352e 3736 2037 3031 2c2d  09,-235.76 701,-\n-00015140: 3236 372e 3438 2036 3033 2e31 352c 2d33  267.48 603.15,-3\n-00015150: 3031 2e31 3920 3537 382e 3432 2c2d 3332  01.19 578.42,-32\n-00015160: 302e 3237 2035 3035 2c2d 3339 332e 3232  0.27 505,-393.22\n-00015170: 2034 3839 2e30 362c 2d34 3039 2e30 3620   489.06,-409.06 \n-00015180: 3437 352e 3534 2c2d 3433 302e 3933 2034  475.54,-430.93 4\n-00015190: 3636 2e37 362c 2d34 3437 2e30 3222 2f3e  66.76,-447.02\"/>\n-000151a0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-000151b0: 7265 6422 2073 7472 6f6b 653d 2272 6564  red\" stroke=\"red\n-000151c0: 2220 706f 696e 7473 3d22 3436 332e 352c  \" points=\"463.5,\n-000151d0: 2d34 3435 2e37 3120 3436 312e 3934 2c2d  -445.71 461.94,-\n-000151e0: 3435 362e 3138 2034 3639 2e36 392c 2d34  456.18 469.69,-4\n-000151f0: 3438 2e39 3720 3436 332e 352c 2d34 3435  48.97 463.5,-445\n-00015200: 2e37 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .71\"/>.</g>.<!--\n-00015210: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-00015220: 6163 735f 6d64 6c69 6226 2334 353b 2667  acs_mdlib&#45;&g\n-00015230: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00015240: 6d61 6373 5f67 7075 5f75 7469 6c73 202d  macs_gpu_utils -\n-00015250: 2d3e 0a3c 6720 6964 3d22 6564 6765 3132  ->.<g id=\"edge12\n-00015260: 3922 2063 6c61 7373 3d22 6564 6765 223e  9\" class=\"edge\">\n-00015270: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00015280: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n-00015290: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-000152a0: 7372 635f 6772 6f6d 6163 735f 6770 755f  src_gromacs_gpu_\n-000152b0: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70  utils</title>.<p\n-000152c0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-000152d0: 7374 726f 6b65 3d22 7265 6422 2064 3d22  stroke=\"red\" d=\"\n-000152e0: 4d31 3139 312e 352c 2d32 3139 2e30 3443  M1191.5,-219.04C\n-000152f0: 3131 3030 2e35 312c 2d32 3139 2e34 3520  1100.51,-219.45 \n-00015300: 3831 382e 3339 2c2d 3232 342e 3235 2037  818.39,-224.25 7\n-00015310: 3430 2c2d 3236 372e 3438 2036 3931 2e38  40,-267.48 691.8\n-00015320: 382c 2d32 3934 2e30 3120 3635 372e 3934  8,-294.01 657.94\n-00015330: 2c2d 3335 312e 3831 2036 3432 2e30 392c  ,-351.81 642.09,\n-00015340: 2d33 3833 2e36 222f 3e0a 3c70 6f6c 7967  -383.6\"/>.<polyg\n-00015350: 6f6e 2066 696c 6c3d 2272 6564 2220 7374  on fill=\"red\" st\n-00015360: 726f 6b65 3d22 7265 6422 2070 6f69 6e74  roke=\"red\" point\n-00015370: 733d 2236 3338 2e37 382c 2d33 3832 2e34  s=\"638.78,-382.4\n-00015380: 3120 3633 372e 3539 2c2d 3339 322e 3933  1 637.59,-392.93\n-00015390: 2036 3435 2e30 392c 2d33 3835 2e34 3520   645.09,-385.45 \n-000153a0: 3633 382e 3738 2c2d 3338 322e 3431 222f  638.78,-382.41\"/\n-000153b0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-000153c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-000153d0: 646c 6962 2623 3435 3b26 6774 3b6d 6f64  dlib&#45;&gt;mod\n-000153e0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-000153f0: 7472 616a 6563 746f 7279 202d 2d3e 0a3c  trajectory -->.<\n-00015400: 6720 6964 3d22 6564 6765 3133 3922 2063  g id=\"edge139\" c\n-00015410: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-00015420: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-00015430: 726f 6d61 6373 5f6d 646c 6962 2623 3435  romacs_mdlib&#45\n-00015440: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00015450: 6772 6f6d 6163 735f 7472 616a 6563 746f  gromacs_trajecto\n-00015460: 7279 3c2f 7469 746c 653e 0a3c 7061 7468  ry</title>.<path\n-00015470: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-00015480: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n-00015490: 224d 3132 3437 2e39 392c 2d32 3135 2e39  \"M1247.99,-215.9\n-000154a0: 3443 3133 3339 2e30 342c 2d32 3132 2e31  4C1339.04,-212.1\n-000154b0: 3420 3136 3334 2e39 352c 2d31 3938 2e31  4 1634.95,-198.1\n-000154c0: 3920 3138 3738 2c2d 3136 382e 3631 2031  9 1878,-168.61 1\n-000154d0: 3838 372e 3337 2c2d 3136 372e 3437 2031  887.37,-167.47 1\n-000154e0: 3839 372e 3337 2c2d 3136 352e 3936 2031  897.37,-165.96 1\n-000154f0: 3930 362e 3837 2c2d 3136 342e 3339 222f  906.87,-164.39\"/\n-00015500: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00015510: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n-00015520: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n-00015530: 733d 2231 3930 372e 3636 2c2d 3136 372e  s=\"1907.66,-167.\n-00015540: 3820 3139 3136 2e39 332c 2d31 3632 2e36  8 1916.93,-162.6\n-00015550: 3720 3139 3036 2e34 392c 2d31 3630 2e39  7 1906.49,-160.9\n-00015560: 2031 3930 372e 3636 2c2d 3136 372e 3822   1907.66,-167.8\"\n-00015570: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00015580: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00015590: 6d64 6c69 6226 2334 353b 2667 743b 6d6f  mdlib&#45;&gt;mo\n-000155a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-000155b0: 5f6d 6473 7061 6e20 2d2d 3e0a 3c67 2069  _mdspan -->.<g i\n-000155c0: 643d 2265 6467 6531 3430 2220 636c 6173  d=\"edge140\" clas\n-000155d0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-000155e0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-000155f0: 6163 735f 6d64 6c69 6226 2334 353b 2667  acs_mdlib&#45;&g\n-00015600: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00015610: 6d61 6373 5f6d 6473 7061 6e3c 2f74 6974  macs_mdspan</tit\n-00015620: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-00015630: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265  none\" stroke=\"re\n-00015640: 6422 2064 3d22 4d31 3231 382e 3633 2c2d  d\" d=\"M1218.63,-\n-00015650: 3230 342e 3435 4331 3231 372e 3537 2c2d  204.45C1217.57,-\n-00015660: 3138 372e 3733 2031 3231 382e 3436 2c2d  187.73 1218.46,-\n-00015670: 3135 382e 3338 2031 3233 352c 2d31 3431  158.38 1235,-141\n-00015680: 2e37 3420 3132 3631 2e32 2c2d 3131 352e  .74 1261.2,-115.\n-00015690: 3338 2031 3336 342e 3736 2c2d 3130 322e  38 1364.76,-102.\n-000156a0: 3238 2031 3432 352e 3634 2c2d 3936 2e37  28 1425.64,-96.7\n-000156b0: 3322 2f3e 0a3c 706f 6c79 676f 6e20 6669  3\"/>.<polygon fi\n-000156c0: 6c6c 3d22 7265 6422 2073 7472 6f6b 653d  ll=\"red\" stroke=\n-000156d0: 2272 6564 2220 706f 696e 7473 3d22 3134  \"red\" points=\"14\n-000156e0: 3236 2e31 2c2d 3130 302e 3220 3134 3335  26.1,-100.2 1435\n-000156f0: 2e37 362c 2d39 352e 3834 2031 3432 352e  .76,-95.84 1425.\n-00015700: 3439 2c2d 3933 2e32 3320 3134 3236 2e31  49,-93.23 1426.1\n-00015710: 2c2d 3130 302e 3222 2f3e 0a3c 2f67 3e0a  ,-100.2\"/>.</g>.\n-00015720: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00015730: 6772 6f6d 6163 735f 6d64 6c69 6226 2334  gromacs_mdlib&#4\n-00015740: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00015750: 5f67 726f 6d61 6373 5f67 6d78 6c69 6220  _gromacs_gmxlib \n-00015760: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n-00015770: 3237 2220 636c 6173 733d 2265 6467 6522  27\" class=\"edge\"\n-00015780: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00015790: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n-000157a0: 6226 2334 353b 2667 743b 6d6f 6475 6c65  b&#45;&gt;module\n-000157b0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n-000157c0: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174  lib</title>.<pat\n-000157d0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-000157e0: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n-000157f0: 3d22 4d31 3233 342e 3134 2c2d 3232 392e  =\"M1234.14,-229.\n-00015800: 3743 3132 3431 2e38 392c 2d32 3339 2e31  7C1241.89,-239.1\n-00015810: 3920 3132 3439 2e39 352c 2d32 3533 2e36  9 1249.95,-253.6\n-00015820: 3820 3132 3534 2c2d 3236 372e 3438 2031  8 1254,-267.48 1\n-00015830: 3330 302e 3737 2c2d 3432 362e 3734 2031  300.77,-426.74 1\n-00015840: 3239 392e 3731 2c2d 3632 392e 3738 2031  299.71,-629.78 1\n-00015850: 3239 322e 3836 2c2d 3639 372e 3135 222f  292.86,-697.15\"/\n-00015860: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00015870: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n-00015880: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n-00015890: 733d 2231 3238 392e 3334 2c2d 3639 372e  s=\"1289.34,-697.\n-000158a0: 3039 2031 3239 312e 3632 2c2d 3730 372e  09 1291.62,-707.\n-000158b0: 3434 2031 3239 362e 3239 2c2d 3639 372e  44 1296.29,-697.\n-000158c0: 3933 2031 3238 392e 3334 2c2d 3639 372e  93 1289.34,-697.\n-000158d0: 3039 222f 3e0a 3c2f 673e 0a3c 212d 2d20  09\"/>.</g>.<!-- \n-000158e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000158f0: 6373 5f6d 646c 6962 2623 3435 3b26 6774  cs_mdlib&#45;&gt\n-00015900: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00015910: 6163 735f 6d64 7479 7065 7320 2d2d 3e0a  acs_mdtypes -->.\n-00015920: 3c67 2069 643d 2265 6467 6531 3238 2220  <g id=\"edge128\" \n-00015930: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-00015940: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00015950: 6772 6f6d 6163 735f 6d64 6c69 6226 2334  gromacs_mdlib&#4\n-00015960: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00015970: 5f67 726f 6d61 6373 5f6d 6474 7970 6573  _gromacs_mdtypes\n-00015980: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00015990: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-000159a0: 653d 2272 6564 2220 643d 224d 3132 3139  e=\"red\" d=\"M1219\n-000159b0: 2e33 372c 2d32 3331 2e36 3443 3132 3132  .37,-231.64C1212\n-000159c0: 2e30 362c 2d32 3535 2e39 3620 3131 3836  .06,-255.96 1186\n-000159d0: 2e37 312c 2d33 3131 2e30 3520 3131 3635  .71,-311.05 1165\n-000159e0: 2c2d 3335 372e 3232 2031 3133 382e 3635  ,-357.22 1138.65\n-000159f0: 2c2d 3431 332e 3236 2031 3133 372e 3439  ,-413.26 1137.49\n-00015a00: 2c2d 3433 302e 3235 2031 3130 352c 2d34  ,-430.25 1105,-4\n-00015a10: 3832 2e39 3620 3130 3637 2e38 312c 2d35  82.96 1067.81,-5\n-00015a20: 3433 2e33 3120 3130 3133 2e37 332c 2d36  43.31 1013.73,-6\n-00015a30: 3037 2e35 3520 3938 332e 3238 2c2d 3633  07.55 983.28,-63\n-00015a40: 382e 3433 222f 3e0a 3c70 6f6c 7967 6f6e  8.43\"/>.<polygon\n-00015a50: 2066 696c 6c3d 2272 6564 2220 7374 726f   fill=\"red\" stro\n-00015a60: 6b65 3d22 7265 6422 2070 6f69 6e74 733d  ke=\"red\" points=\n-00015a70: 2239 3830 2e37 332c 2d36 3336 2e30 3220  \"980.73,-636.02 \n-00015a80: 3937 362e 3037 2c2d 3634 352e 3534 2039  976.07,-645.54 9\n-00015a90: 3835 2e36 352c 2d36 3431 2e30 3120 3938  85.65,-641.01 98\n-00015aa0: 302e 3733 2c2d 3633 362e 3032 222f 3e0a  0.73,-636.02\"/>.\n-00015ab0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00015ac0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c  _src_gromacs_mdl\n-00015ad0: 6962 2623 3435 3b26 6774 3b6d 6f64 756c  ib&#45;&gt;modul\n-00015ae0: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n-00015af0: 6d6d 616e 646c 696e 6520 2d2d 3e0a 3c67  mmandline -->.<g\n-00015b00: 2069 643d 2265 6467 6531 3435 2220 636c   id=\"edge145\" cl\n-00015b10: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00015b20: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00015b30: 6f6d 6163 735f 6d64 6c69 6226 2334 353b  omacs_mdlib&#45;\n-00015b40: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00015b50: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69  romacs_commandli\n-00015b60: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468  ne</title>.<path\n-00015b70: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-00015b80: 6f6b 653d 2262 6c61 636b 2220 7374 726f  oke=\"black\" stro\n-00015b90: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-00015ba0: 3222 2064 3d22 4d31 3232 352e 3039 2c2d  2\" d=\"M1225.09,-\n-00015bb0: 3230 342e 3832 4331 3233 332e 3037 2c2d  204.82C1233.07,-\n-00015bc0: 3138 372e 3338 2031 3235 302e 3332 2c2d  187.38 1250.32,-\n-00015bd0: 3135 352e 3931 2031 3237 362c 2d31 3431  155.91 1276,-141\n-00015be0: 2e37 3420 3133 3234 2e37 372c 2d31 3134  .74 1324.77,-114\n-00015bf0: 2e38 3320 3136 3933 2e36 362c 2d31 3030  .83 1693.66,-100\n-00015c00: 2e30 3820 3138 3432 2e32 362c 2d39 352e  .08 1842.26,-95.\n-00015c10: 3137 222f 3e0a 3c70 6f6c 7967 6f6e 2066  17\"/>.<polygon f\n-00015c20: 696c 6c3d 2262 6c61 636b 2220 7374 726f  ill=\"black\" stro\n-00015c30: 6b65 3d22 626c 6163 6b22 2070 6f69 6e74  ke=\"black\" point\n-00015c40: 733d 2231 3834 322e 3639 2c2d 3938 2e36  s=\"1842.69,-98.6\n-00015c50: 3620 3138 3532 2e35 372c 2d39 342e 3834  6 1852.57,-94.84\n-00015c60: 2031 3834 322e 3436 2c2d 3931 2e36 3620   1842.46,-91.66 \n-00015c70: 3138 3432 2e36 392c 2d39 382e 3636 222f  1842.69,-98.66\"/\n-00015c80: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00015c90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-00015ca0: 646c 6962 2623 3435 3b26 6774 3b6d 6f64  dlib&#45;&gt;mod\n-00015cb0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00015cc0: 6d64 7275 6e75 7469 6c69 7479 202d 2d3e  mdrunutility -->\n-00015cd0: 0a3c 6720 6964 3d22 6564 6765 3133 3622  .<g id=\"edge136\"\n-00015ce0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-00015cf0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00015d00: 5f67 726f 6d61 6373 5f6d 646c 6962 2623  _gromacs_mdlib&#\n-00015d10: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00015d20: 635f 6772 6f6d 6163 735f 6d64 7275 6e75  c_gromacs_mdrunu\n-00015d30: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c  tility</title>.<\n-00015d40: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00015d50: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-00015d60: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-00015d70: 6179 3d22 352c 3222 2064 3d22 4d31 3233  ay=\"5,2\" d=\"M123\n-00015d80: 322e 392c 2d32 3330 2e33 4331 3234 322e  2.9,-230.3C1242.\n-00015d90: 3738 2c2d 3233 392e 3438 2031 3235 362e  78,-239.48 1256.\n-00015da0: 3138 2c2d 3235 332e 3233 2031 3236 352c  18,-253.23 1265,\n-00015db0: 2d32 3637 2e34 3820 3133 3135 2e34 372c  -267.48 1315.47,\n-00015dc0: 2d33 3439 2e30 3120 3133 3433 2e39 352c  -349.01 1343.95,\n-00015dd0: 2d34 3631 2e34 3820 3133 3534 2e33 382c  -461.48 1354.38,\n-00015de0: 2d35 3038 2e38 3922 2f3e 0a3c 706f 6c79  -508.89\"/>.<poly\n-00015df0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663  gon fill=\"#282fc\n-00015e00: 6322 2073 7472 6f6b 653d 2223 3238 3266  c\" stroke=\"#282f\n-00015e10: 6363 2220 706f 696e 7473 3d22 3133 3530  cc\" points=\"1350\n-00015e20: 2e39 382c 2d35 3039 2e36 3920 3133 3536  .98,-509.69 1356\n-00015e30: 2e34 392c 2d35 3138 2e37 3420 3133 3537  .49,-518.74 1357\n-00015e40: 2e38 322c 2d35 3038 2e32 3320 3133 3530  .82,-508.23 1350\n-00015e50: 2e39 382c 2d35 3039 2e36 3922 2f3e 0a3c  .98,-509.69\"/>.<\n-00015e60: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-00015e70: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n-00015e80: 6226 2334 353b 2667 743b 6d6f 6475 6c65  b&#45;&gt;module\n-00015e90: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973  _src_gromacs_lis\n-00015ea0: 7465 645f 666f 7263 6573 202d 2d3e 0a3c  ted_forces -->.<\n-00015eb0: 6720 6964 3d22 6564 6765 3133 3522 2063  g id=\"edge135\" c\n-00015ec0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-00015ed0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-00015ee0: 726f 6d61 6373 5f6d 646c 6962 2623 3435  romacs_mdlib&#45\n-00015ef0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00015f00: 6772 6f6d 6163 735f 6c69 7374 6564 5f66  gromacs_listed_f\n-00015f10: 6f72 6365 733c 2f74 6974 6c65 3e0a 3c70  orces</title>.<p\n-00015f20: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00015f30: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-00015f40: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-00015f50: 793d 2235 2c32 2220 643d 224d 3131 3933  y=\"5,2\" d=\"M1193\n-00015f60: 2e38 392c 2d32 3233 2e33 3643 3131 3236  .89,-223.36C1126\n-00015f70: 2e33 352c 2d32 3333 2e37 2039 3435 2e35  .35,-233.7 945.5\n-00015f80: 312c 2d32 3539 2e39 3520 3835 342e 322c  1,-259.95 854.2,\n-00015f90: 2d32 3732 2e37 3222 2f3e 0a3c 706f 6c79  -272.72\"/>.<poly\n-00015fa0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663  gon fill=\"#282fc\n-00015fb0: 6322 2073 7472 6f6b 653d 2223 3238 3266  c\" stroke=\"#282f\n-00015fc0: 6363 2220 706f 696e 7473 3d22 3835 332e  cc\" points=\"853.\n-00015fd0: 3437 2c2d 3236 392e 3239 2038 3434 2e30  47,-269.29 844.0\n-00015fe0: 352c 2d32 3734 2e31 3320 3835 342e 3434  5,-274.13 854.44\n-00015ff0: 2c2d 3237 362e 3232 2038 3533 2e34 372c  ,-276.22 853.47,\n-00016000: 2d32 3639 2e32 3922 2f3e 0a3c 2f67 3e0a  -269.29\"/>.</g>.\n-00016010: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00016020: 6772 6f6d 6163 735f 6d64 6c69 6226 2334  gromacs_mdlib&#4\n-00016030: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00016040: 5f67 726f 6d61 6373 5f69 6d64 202d 2d3e  _gromacs_imd -->\n-00016050: 0a3c 6720 6964 3d22 6564 6765 3133 3422  .<g id=\"edge134\"\n-00016060: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-00016070: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00016080: 5f67 726f 6d61 6373 5f6d 646c 6962 2623  _gromacs_mdlib&#\n-00016090: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-000160a0: 635f 6772 6f6d 6163 735f 696d 643c 2f74  c_gromacs_imd</t\n-000160b0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-000160c0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-000160d0: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n-000160e0: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n-000160f0: 643d 224d 3132 3435 2e36 382c 2d32 3132  d=\"M1245.68,-212\n-00016100: 2e33 3243 3133 3131 2e39 342c 2d32 3031  .32C1311.94,-201\n-00016110: 2e30 3920 3134 3838 2e30 352c 2d31 3732  .09 1488.05,-172\n-00016120: 2e38 3720 3135 3634 2e32 322c 2d31 3631  .87 1564.22,-161\n-00016130: 2e32 3722 2f3e 0a3c 706f 6c79 676f 6e20  .27\"/>.<polygon \n-00016140: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n-00016150: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-00016160: 706f 696e 7473 3d22 3135 3634 2e39 322c  points=\"1564.92,\n-00016170: 2d31 3634 2e37 3120 3135 3734 2e32 382c  -164.71 1574.28,\n-00016180: 2d31 3539 2e37 3520 3135 3633 2e38 372c  -159.75 1563.87,\n-00016190: 2d31 3537 2e37 3920 3135 3634 2e39 322c  -157.79 1564.92,\n-000161a0: 2d31 3634 2e37 3122 2f3e 0a3c 2f67 3e0a  -164.71\"/>.</g>.\n-000161b0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-000161c0: 6772 6f6d 6163 735f 6d64 6c69 6226 2334  gromacs_mdlib&#4\n-000161d0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-000161e0: 5f67 726f 6d61 6373 5f72 616e 646f 6d20  _gromacs_random \n-000161f0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n-00016200: 3431 2220 636c 6173 733d 2265 6467 6522  41\" class=\"edge\"\n-00016210: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00016220: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n-00016230: 6226 2334 353b 2667 743b 6d6f 6475 6c65  b&#45;&gt;module\n-00016240: 5f73 7263 5f67 726f 6d61 6373 5f72 616e  _src_gromacs_ran\n-00016250: 646f 6d3c 2f74 6974 6c65 3e0a 3c70 6174  dom</title>.<pat\n-00016260: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00016270: 726f 6b65 3d22 626c 6163 6b22 2073 7472  roke=\"black\" str\n-00016280: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-00016290: 2c32 2220 643d 224d 3132 3437 2e35 382c  ,2\" d=\"M1247.58,\n-000162a0: 2d32 3134 2e33 3143 3133 3434 2e38 362c  -214.31C1344.86,\n-000162b0: 2d32 3034 2e36 3720 3136 3732 2e35 352c  -204.67 1672.55,\n-000162c0: 2d31 3732 2e31 3820 3137 3930 2e39 2c2d  -172.18 1790.9,-\n-000162d0: 3136 302e 3435 222f 3e0a 3c70 6f6c 7967  160.45\"/>.<polyg\n-000162e0: 6f6e 2066 696c 6c3d 2262 6c61 636b 2220  on fill=\"black\" \n-000162f0: 7374 726f 6b65 3d22 626c 6163 6b22 2070  stroke=\"black\" p\n-00016300: 6f69 6e74 733d 2231 3739 312e 3433 2c2d  oints=\"1791.43,-\n-00016310: 3136 332e 3931 2031 3830 312e 3034 2c2d  163.91 1801.04,-\n-00016320: 3135 392e 3434 2031 3739 302e 3734 2c2d  159.44 1790.74,-\n-00016330: 3135 362e 3935 2031 3739 312e 3433 2c2d  156.95 1791.43,-\n-00016340: 3136 332e 3931 222f 3e0a 3c2f 673e 0a3c  163.91\"/>.</g>.<\n-00016350: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-00016360: 726f 6d61 6373 5f6d 646c 6962 2623 3435  romacs_mdlib&#45\n-00016370: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00016380: 6772 6f6d 6163 735f 6577 616c 6420 2d2d  gromacs_ewald --\n-00016390: 3e0a 3c67 2069 643d 2265 6467 6531 3333  >.<g id=\"edge133\n-000163a0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-000163b0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-000163c0: 635f 6772 6f6d 6163 735f 6d64 6c69 6226  c_gromacs_mdlib&\n-000163d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-000163e0: 7263 5f67 726f 6d61 6373 5f65 7761 6c64  rc_gromacs_ewald\n-000163f0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00016400: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00016410: 653d 2272 6564 2220 643d 224d 3131 3932  e=\"red\" d=\"M1192\n-00016420: 2e35 332c 2d32 3134 2e37 4331 3039 302e  .53,-214.7C1090.\n-00016430: 382c 2d32 3035 2e34 3820 3733 362e 332c  8,-205.48 736.3,\n-00016440: 2d31 3731 2e37 3420 3631 382e 3936 2c2d  -171.74 618.96,-\n-00016450: 3136 302e 3133 222f 3e0a 3c70 6f6c 7967  160.13\"/>.<polyg\n-00016460: 6f6e 2066 696c 6c3d 2272 6564 2220 7374  on fill=\"red\" st\n-00016470: 726f 6b65 3d22 7265 6422 2070 6f69 6e74  roke=\"red\" point\n-00016480: 733d 2236 3139 2e32 392c 2d31 3536 2e36  s=\"619.29,-156.6\n-00016490: 3420 3630 382e 3939 2c2d 3135 392e 3134  4 608.99,-159.14\n-000164a0: 2036 3138 2e36 2c2d 3136 332e 3631 2036   618.6,-163.61 6\n-000164b0: 3139 2e32 392c 2d31 3536 2e36 3422 2f3e  19.29,-156.64\"/>\n-000164c0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-000164d0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-000164e0: 6c69 6226 2334 353b 2667 743b 6d6f 6475  lib&#45;&gt;modu\n-000164f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66  le_src_gromacs_f\n-00016500: 696c 6569 6f20 2d2d 3e0a 3c67 2069 643d  ileio -->.<g id=\n-00016510: 2265 6467 6531 3338 2220 636c 6173 733d  \"edge138\" class=\n-00016520: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00016530: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00016540: 735f 6d64 6c69 6226 2334 353b 2667 743b  s_mdlib&#45;&gt;\n-00016550: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00016560: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65  cs_fileio</title\n-00016570: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00016580: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n-00016590: 6662 6622 2064 3d22 4d31 3234 362e 3935  fbf\" d=\"M1246.95\n-000165a0: 2c2d 3232 322e 3535 4331 3238 302e 3534  ,-222.55C1280.54\n-000165b0: 2c2d 3232 372e 3920 3133 3338 2e36 372c  ,-227.9 1338.67,\n-000165c0: 2d32 3430 2e34 3920 3133 3831 2c2d 3236  -240.49 1381,-26\n-000165d0: 372e 3438 2031 3435 392e 3838 2c2d 3331  7.48 1459.88,-31\n-000165e0: 372e 3738 2031 3632 372e 3731 2c2d 3439  7.78 1627.71,-49\n-000165f0: 342e 3431 2031 3636 312c 2d35 3831 2e38  4.41 1661,-581.8\n-00016600: 3320 3137 3036 2e31 372c 2d37 3030 2e34  3 1706.17,-700.4\n-00016610: 3620 3136 3635 2e38 352c 2d37 3533 2e35  6 1665.85,-753.5\n-00016620: 3420 3135 3937 2c2d 3836 302e 3138 2031  4 1597,-860.18 1\n-00016630: 3539 302e 3136 2c2d 3837 302e 3738 2031  590.16,-870.78 1\n-00016640: 3538 312e 3135 2c2d 3838 312e 3438 2031  581.15,-881.48 1\n-00016650: 3537 332e 3232 2c2d 3839 302e 3132 222f  573.22,-890.12\"/\n-00016660: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00016670: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n-00016680: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n-00016690: 733d 2231 3537 302e 3636 2c2d 3838 372e  s=\"1570.66,-887.\n-000166a0: 3734 2031 3536 362e 3335 2c2d 3839 372e  74 1566.35,-897.\n-000166b0: 3432 2031 3537 352e 3735 2c2d 3839 322e  42 1575.75,-892.\n-000166c0: 3534 2031 3537 302e 3636 2c2d 3838 372e  54 1570.66,-887.\n-000166d0: 3734 222f 3e0a 3c2f 673e 0a3c 212d 2d20  74\"/>.</g>.<!-- \n-000166e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000166f0: 6373 5f6d 646c 6962 2623 3435 3b26 6774  cs_mdlib&#45;&gt\n-00016700: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00016710: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n-00016720: 6573 5f61 7768 202d 2d3e 0a3c 6720 6964  es_awh -->.<g id\n-00016730: 3d22 6564 6765 3133 3122 2063 6c61 7373  =\"edge131\" class\n-00016740: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-00016750: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00016760: 6373 5f6d 646c 6962 2623 3435 3b26 6774  cs_mdlib&#45;&gt\n-00016770: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00016780: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n-00016790: 6573 5f61 7768 3c2f 7469 746c 653e 0a3c  es_awh</title>.<\n-000167a0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-000167b0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-000167c0: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-000167d0: 6179 3d22 352c 3222 2064 3d22 4d31 3234  ay=\"5,2\" d=\"M124\n-000167e0: 362e 342c 2d32 3233 2e31 3743 3132 3737  6.4,-223.17C1277\n-000167f0: 2e31 332c 2d32 3238 2e39 3720 3133 3238  .13,-228.97 1328\n-00016800: 2e33 362c 2d32 3431 2e38 3420 3133 3635  .36,-241.84 1365\n-00016810: 2c2d 3236 372e 3438 2031 3336 392e 3033  ,-267.48 1369.03\n-00016820: 2c2d 3237 302e 3320 3135 3533 2e34 2c2d  ,-270.3 1553.4,-\n-00016830: 3530 332e 3539 2031 3630 392e 3138 2c2d  503.59 1609.18,-\n-00016840: 3537 342e 3233 222f 3e0a 3c70 6f6c 7967  574.23\"/>.<polyg\n-00016850: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n-00016860: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-00016870: 6322 2070 6f69 6e74 733d 2231 3630 362e  c\" points=\"1606.\n-00016880: 3636 2c2d 3537 362e 3639 2031 3631 352e  66,-576.69 1615.\n-00016890: 3631 2c2d 3538 322e 3336 2031 3631 322e  61,-582.36 1612.\n-000168a0: 3136 2c2d 3537 322e 3335 2031 3630 362e  16,-572.35 1606.\n-000168b0: 3636 2c2d 3537 362e 3639 222f 3e0a 3c2f  66,-576.69\"/>.</\n-000168c0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-000168d0: 7263 5f74 6573 7475 7469 6c73 202d 2d3e  rc_testutils -->\n-000168e0: 0a3c 6720 6964 3d22 6e6f 6465 3530 2220  .<g id=\"node50\" \n-000168f0: 636c 6173 733d 226e 6f64 6522 3e0a 3c74  class=\"node\">.<t\n-00016900: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00016910: 7465 7374 7574 696c 733c 2f74 6974 6c65  testutils</title\n-00016920: 3e0a 3c67 2069 643d 2261 5f6e 6f64 6535  >.<g id=\"a_node5\n-00016930: 3022 3e3c 6120 786c 696e 6b3a 6872 6566  0\"><a xlink:href\n-00016940: 3d22 6772 6f75 705f 5f6d 6f64 756c 655f  =\"group__module_\n-00016950: 5f74 6573 7475 7469 6c73 2e78 6874 6d6c  _testutils.xhtml\n-00016960: 2220 7461 7267 6574 3d22 5f74 6f70 2220  \" target=\"_top\" \n-00016970: 786c 696e 6b3a 7469 746c 653d 2274 6573  xlink:title=\"tes\n-00016980: 7475 7469 6c73 223e 0a3c 656c 6c69 7073  tutils\">.<ellips\n-00016990: 6520 6669 6c6c 3d22 2366 6665 3463 6322  e fill=\"#ffe4cc\"\n-000169a0: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n-000169b0: 6378 3d22 3234 3835 2220 6379 3d22 2d35  cx=\"2485\" cy=\"-5\n-000169c0: 3332 2e34 2220 7278 3d22 3336 2e31 3222  32.4\" rx=\"36.12\"\n-000169d0: 2072 793d 2231 332e 3337 222f 3e0a 3c74   ry=\"13.37\"/>.<t\n-000169e0: 6578 7420 7465 7874 2d61 6e63 686f 723d  ext text-anchor=\n-000169f0: 226d 6964 646c 6522 2078 3d22 3234 3835  \"middle\" x=\"2485\n-00016a00: 2220 793d 222d 3532 392e 3922 2066 6f6e  \" y=\"-529.9\" fon\n-00016a10: 742d 6661 6d69 6c79 3d22 4672 6565 5361  t-family=\"FreeSa\n-00016a20: 6e73 2220 666f 6e74 2d73 697a 653d 2231  ns\" font-size=\"1\n-00016a30: 302e 3030 223e 7465 7374 7574 696c 733c  0.00\">testutils<\n-00016a40: 2f74 6578 743e 0a3c 2f61 3e0a 3c2f 673e  /text>.</a>.</g>\n-00016a50: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00016a60: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00016a70: 6c69 6226 2334 353b 2667 743b 6d6f 6475  lib&#45;&gt;modu\n-00016a80: 6c65 5f73 7263 5f74 6573 7475 7469 6c73  le_src_testutils\n-00016a90: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-00016aa0: 3134 3622 2063 6c61 7373 3d22 6564 6765  146\" class=\"edge\n-00016ab0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00016ac0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c  _src_gromacs_mdl\n-00016ad0: 6962 2623 3435 3b26 6774 3b6d 6f64 756c  ib&#45;&gt;modul\n-00016ae0: 655f 7372 635f 7465 7374 7574 696c 733c  e_src_testutils<\n-00016af0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00016b00: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-00016b10: 3d22 7265 6422 2064 3d22 4d31 3234 382e  =\"red\" d=\"M1248.\n-00016b20: 342c 2d32 3138 2e37 3943 3133 3938 2e39  4,-218.79C1398.9\n-00016b30: 382c 2d32 3137 2e36 3820 3231 3034 2e39  8,-217.68 2104.9\n-00016b40: 372c 2d32 3135 2e33 3820 3233 3136 2c2d  7,-215.38 2316,-\n-00016b50: 3236 372e 3438 2032 3339 322e 332c 2d32  267.48 2392.3,-2\n-00016b60: 3836 2e33 3220 3234 3736 2c2d 3236 342e  86.32 2476,-264.\n-00016b70: 3139 2032 3437 362c 2d33 3432 2e37 3920  19 2476,-342.79 \n-00016b80: 3234 3736 2c2d 3430 372e 3636 2032 3437  2476,-407.66 247\n-00016b90: 362c 2d34 3037 2e36 3620 3234 3736 2c2d  6,-407.66 2476,-\n-00016ba0: 3430 372e 3636 2032 3437 362c 2d34 3432  407.66 2476,-442\n-00016bb0: 2e39 3620 3234 3739 2e36 392c 2d34 3833  .96 2479.69,-483\n-00016bc0: 2e37 3820 3234 3832 2e33 342c 2d35 3038  .78 2482.34,-508\n-00016bd0: 2e35 3822 2f3e 0a3c 706f 6c79 676f 6e20  .58\"/>.<polygon \n-00016be0: 6669 6c6c 3d22 7265 6422 2073 7472 6f6b  fill=\"red\" strok\n-00016bf0: 653d 2272 6564 2220 706f 696e 7473 3d22  e=\"red\" points=\"\n-00016c00: 3234 3738 2e38 392c 2d35 3039 2e32 3220  2478.89,-509.22 \n-00016c10: 3234 3833 2e34 372c 2d35 3138 2e37 3720  2483.47,-518.77 \n-00016c20: 3234 3835 2e38 352c 2d35 3038 2e34 3520  2485.85,-508.45 \n-00016c30: 3234 3738 2e38 392c 2d35 3039 2e32 3222  2478.89,-509.22\"\n-00016c40: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00016c50: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00016c60: 676d 7870 7265 7072 6f63 6573 7326 2334  gmxpreprocess&#4\n-00016c70: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00016c80: 5f67 726f 6d61 6373 5f6d 6472 756e 202d  _gromacs_mdrun -\n-00016c90: 2d3e 0a3c 6720 6964 3d22 6564 6765 3135  ->.<g id=\"edge15\n-00016ca0: 3122 2063 6c61 7373 3d22 6564 6765 223e  1\" class=\"edge\">\n-00016cb0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00016cc0: 7263 5f67 726f 6d61 6373 5f67 6d78 7072  rc_gromacs_gmxpr\n-00016cd0: 6570 726f 6365 7373 2623 3435 3b26 6774  eprocess&#45;&gt\n-00016ce0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00016cf0: 6163 735f 6d64 7275 6e3c 2f74 6974 6c65  acs_mdrun</title\n-00016d00: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00016d10: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n-00016d20: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n-00016d30: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n-00016d40: 3138 3030 2e34 322c 2d31 3135 362e 3734  1800.42,-1156.74\n-00016d50: 4331 3631 392e 3235 2c2d 3131 3435 2e37  C1619.25,-1145.7\n-00016d60: 3920 3130 3438 2e33 2c2d 3131 3131 2e32  9 1048.3,-1111.2\n-00016d70: 3720 3839 302e 3033 2c2d 3131 3031 2e37  7 890.03,-1101.7\n-00016d80: 3122 2f3e 0a3c 706f 6c79 676f 6e20 6669  1\"/>.<polygon fi\n-00016d90: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n-00016da0: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n-00016db0: 696e 7473 3d22 3838 392e 3938 2c2d 3130  ints=\"889.98,-10\n-00016dc0: 3938 2e32 2038 3739 2e37 392c 2d31 3130  98.2 879.79,-110\n-00016dd0: 312e 3039 2038 3839 2e35 362c 2d31 3130  1.09 889.56,-110\n-00016de0: 352e 3138 2038 3839 2e39 382c 2d31 3039  5.18 889.98,-109\n-00016df0: 382e 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d  8.2\"/>.</g>.<!--\n-00016e00: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-00016e10: 6163 735f 676d 7870 7265 7072 6f63 6573  acs_gmxpreproces\n-00016e20: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-00016e30: 5f73 7263 5f67 726f 6d61 6373 5f66 6674  _src_gromacs_fft\n-00016e40: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-00016e50: 3136 3122 2063 6c61 7373 3d22 6564 6765  161\" class=\"edge\n-00016e60: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00016e70: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n-00016e80: 7072 6570 726f 6365 7373 2623 3435 3b26  preprocess&#45;&\n-00016e90: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00016ea0: 6f6d 6163 735f 6666 743c 2f74 6974 6c65  omacs_fft</title\n-00016eb0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00016ec0: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n-00016ed0: 6662 6622 2064 3d22 4d31 3833 302e 3638  fbf\" d=\"M1830.68\n-00016ee0: 2c2d 3131 3438 2e37 3743 3138 3038 2e37  ,-1148.77C1808.7\n-00016ef0: 382c 2d31 3133 382e 3937 2031 3737 362e  8,-1138.97 1776.\n-00016f00: 3239 2c2d 3131 3234 2e34 2031 3734 382c  29,-1124.4 1748,\n-00016f10: 2d31 3131 312e 3636 2031 3638 362e 3138  -1111.66 1686.18\n-00016f20: 2c2d 3130 3833 2e38 3220 3136 3435 2e37  ,-1083.82 1645.7\n-00016f30: 362c 2d31 3130 352e 3736 2031 3630 392c  6,-1105.76 1609,\n-00016f40: 2d31 3034 382e 3739 2031 3630 322e 3533  -1048.79 1602.53\n-00016f50: 2c2d 3130 3338 2e37 3620 3136 3037 2e36  ,-1038.76 1607.6\n-00016f60: 392c 2d31 3033 332e 3739 2031 3630 392c  9,-1033.79 1609,\n-00016f70: 2d31 3032 312e 3932 2031 3631 322e 3133  -1021.92 1612.13\n-00016f80: 2c2d 3939 332e 3437 2031 3630 352e 3035  ,-993.47 1605.05\n-00016f90: 2c2d 3938 312e 3335 2031 3632 332c 2d39  ,-981.35 1623,-9\n-00016fa0: 3539 2e30 3520 3136 3838 2e34 342c 2d38  59.05 1688.44,-8\n-00016fb0: 3737 2e37 3420 3137 3532 2e34 392c 2d39  77.74 1752.49,-9\n-00016fc0: 3232 2e37 3920 3138 3336 2c2d 3836 302e  22.79 1836,-860.\n-00016fd0: 3138 2031 3839 312e 3139 2c2d 3831 382e  18 1891.19,-818.\n-00016fe0: 3820 3138 3935 2e37 392c 2d37 3935 2e39  8 1895.79,-795.9\n-00016ff0: 3620 3139 3237 2c2d 3733 342e 3434 2031  6 1927,-734.44 1\n-00017000: 3934 302e 3834 2c2d 3730 372e 3136 2031  940.84,-707.16 1\n-00017010: 3934 372e 3238 2c2d 3730 312e 3137 2031  947.28,-701.17 1\n-00017020: 3935 352c 2d36 3731 2e35 3720 3139 3639  955,-671.57 1969\n-00017030: 2e39 312c 2d36 3134 2e33 3920 3230 3432  .91,-614.39 2042\n-00017040: 2e30 372c 2d31 3834 2e32 3320 3230 3031  .07,-184.23 2001\n-00017050: 2c2d 3134 312e 3734 2031 3937 362e 3234  ,-141.74 1976.24\n-00017060: 2c2d 3131 362e 3132 2038 3339 2e30 382c  ,-116.12 839.08,\n-00017070: 2d39 372e 3239 2036 3138 2e30 312c 2d39  -97.29 618.01,-9\n-00017080: 332e 3836 222f 3e0a 3c70 6f6c 7967 6f6e  3.86\"/>.<polygon\n-00017090: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n-000170a0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-000170b0: 2070 6f69 6e74 733d 2236 3137 2e39 352c   points=\"617.95,\n-000170c0: 2d39 302e 3336 2036 3037 2e39 2c2d 3933  -90.36 607.9,-93\n-000170d0: 2e37 3120 3631 372e 3834 2c2d 3937 2e33  .71 617.84,-97.3\n-000170e0: 3620 3631 372e 3935 2c2d 3930 2e33 3622  6 617.95,-90.36\"\n-000170f0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00017100: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00017110: 676d 7870 7265 7072 6f63 6573 7326 2334  gmxpreprocess&#4\n-00017120: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00017130: 5f67 726f 6d61 6373 5f67 6d78 616e 6120  _gromacs_gmxana \n-00017140: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n-00017150: 3539 2220 636c 6173 733d 2265 6467 6522  59\" class=\"edge\"\n-00017160: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00017170: 7372 635f 6772 6f6d 6163 735f 676d 7870  src_gromacs_gmxp\n-00017180: 7265 7072 6f63 6573 7326 2334 353b 2667  reprocess&#45;&g\n-00017190: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-000171a0: 6d61 6373 5f67 6d78 616e 613c 2f74 6974  macs_gmxana</tit\n-000171b0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-000171c0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n-000171d0: 6662 6662 6622 2064 3d22 4d31 3836 302e  fbfbf\" d=\"M1860.\n-000171e0: 3334 2c2d 3131 3437 2e33 3243 3138 3637  34,-1147.32C1867\n-000171f0: 2e34 352c 2d31 3132 362e 3337 2031 3838  .45,-1126.37 188\n-00017200: 312e 3637 2c2d 3130 3834 2e34 3620 3138  1.67,-1084.46 18\n-00017210: 3930 2e34 362c 2d31 3035 382e 3537 222f  90.46,-1058.57\"/\n-00017220: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00017230: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n-00017240: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n-00017250: 733d 2231 3839 332e 3835 2c2d 3130 3539  s=\"1893.85,-1059\n-00017260: 2e34 3720 3138 3933 2e37 352c 2d31 3034  .47 1893.75,-104\n-00017270: 382e 3838 2031 3838 372e 3232 2c2d 3130  8.88 1887.22,-10\n-00017280: 3537 2e32 3220 3138 3933 2e38 352c 2d31  57.22 1893.85,-1\n-00017290: 3035 392e 3437 222f 3e0a 3c2f 673e 0a3c  059.47\"/>.</g>.<\n-000172a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-000172b0: 726f 6d61 6373 5f67 6d78 7072 6570 726f  romacs_gmxprepro\n-000172c0: 6365 7373 2623 3435 3b26 6774 3b6d 6f64  cess&#45;&gt;mod\n-000172d0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-000172e0: 6f70 7469 6f6e 7320 2d2d 3e0a 3c67 2069  options -->.<g i\n-000172f0: 643d 2265 6467 6531 3534 2220 636c 6173  d=\"edge154\" clas\n-00017300: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-00017310: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00017320: 6163 735f 676d 7870 7265 7072 6f63 6573  acs_gmxpreproces\n-00017330: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-00017340: 5f73 7263 5f67 726f 6d61 6373 5f6f 7074  _src_gromacs_opt\n-00017350: 696f 6e73 3c2f 7469 746c 653e 0a3c 7061  ions</title>.<pa\n-00017360: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-00017370: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-00017380: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n-00017390: 3d22 352c 3222 2064 3d22 4d31 3930 352e  =\"5,2\" d=\"M1905.\n-000173a0: 3835 2c2d 3131 3533 2e39 3943 3139 3437  85,-1153.99C1947\n-000173b0: 2e37 352c 2d31 3134 372e 3439 2032 3030  .75,-1147.49 200\n-000173c0: 382e 3431 2c2d 3131 3334 2e38 3520 3230  8.41,-1134.85 20\n-000173d0: 3537 2c2d 3131 3131 2e36 3620 3230 3938  57,-1111.66 2098\n-000173e0: 2e34 352c 2d31 3039 312e 3838 2032 3130  .45,-1091.88 210\n-000173f0: 372e 3037 2c2d 3130 3831 2e37 3920 3231  7.07,-1081.79 21\n-00017400: 3339 2c2d 3130 3438 2e37 3920 3231 3632  39,-1048.79 2162\n-00017410: 2e39 2c2d 3130 3234 2e31 2032 3137 322e  .9,-1024.1 2172.\n-00017420: 3539 2c2d 3130 3138 2e33 3320 3231 3834  59,-1018.33 2184\n-00017430: 2c2d 3938 352e 3932 2032 3231 352e 3835  ,-985.92 2215.85\n-00017440: 2c2d 3839 352e 3434 2032 3138 332e 3835  ,-895.44 2183.85\n-00017450: 2c2d 3836 352e 3539 2032 3139 362c 2d37  ,-865.59 2196,-7\n-00017460: 3730 2e34 3420 3232 3036 2c2d 3639 322e  70.44 2206,-692.\n-00017470: 3132 2032 3233 312c 2d36 3735 2e32 3220  12 2231,-675.22 \n-00017480: 3232 3331 2c2d 3539 362e 3237 2032 3233  2231,-596.27 223\n-00017490: 312c 2d35 3936 2e32 3720 3232 3331 2c2d  1,-596.27 2231,-\n-000174a0: 3539 362e 3237 2032 3233 312c 2d31 3534  596.27 2231,-154\n-000174b0: 2e31 3820 3232 3331 2c2d 3933 2e36 2032  .18 2231,-93.6 2\n-000174c0: 3033 322e 3232 2c2d 3532 2e32 3620 3139  032.22,-52.26 19\n-000174d0: 3434 2e36 332c 2d33 362e 3939 222f 3e0a  44.63,-36.99\"/>.\n-000174e0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-000174f0: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n-00017500: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n-00017510: 2231 3934 352e 3231 2c2d 3333 2e35 3420  \"1945.21,-33.54 \n-00017520: 3139 3334 2e37 362c 2d33 352e 3320 3139  1934.76,-35.3 19\n-00017530: 3434 2e30 332c 2d34 302e 3434 2031 3934  44.03,-40.44 194\n-00017540: 352e 3231 2c2d 3333 2e35 3422 2f3e 0a3c  5.21,-33.54\"/>.<\n-00017550: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-00017560: 7372 635f 6772 6f6d 6163 735f 676d 7870  src_gromacs_gmxp\n-00017570: 7265 7072 6f63 6573 7326 2334 353b 2667  reprocess&#45;&g\n-00017580: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00017590: 6d61 6373 5f6e 626e 786d 202d 2d3e 0a3c  macs_nbnxm -->.<\n-000175a0: 6720 6964 3d22 6564 6765 3136 3322 2063  g id=\"edge163\" c\n-000175b0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-000175c0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-000175d0: 726f 6d61 6373 5f67 6d78 7072 6570 726f  romacs_gmxprepro\n-000175e0: 6365 7373 2623 3435 3b26 6774 3b6d 6f64  cess&#45;&gt;mod\n-000175f0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00017600: 6e62 6e78 6d3c 2f74 6974 6c65 3e0a 3c70  nbnxm</title>.<p\n-00017610: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00017620: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-00017630: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-00017640: 793d 2235 2c32 2220 643d 224d 3138 3436  y=\"5,2\" d=\"M1846\n-00017650: 2e39 322c 2d31 3134 372e 3434 4331 3834  .92,-1147.44C184\n-00017660: 302e 3432 2c2d 3131 3337 2e39 3420 3138  0.42,-1137.94 18\n-00017670: 3331 2e38 332c 2d31 3132 342e 3434 2031  31.83,-1124.44 1\n-00017680: 3832 362c 2d31 3131 312e 3636 2031 3732  826,-1111.66 172\n-00017690: 332e 3538 2c2d 3838 372e 3320 3138 3338  3.58,-887.3 1838\n-000176a0: 2e37 392c 2d37 3532 2e37 3620 3136 3631  .79,-752.76 1661\n-000176b0: 2c2d 3538 312e 3833 2031 3635 322e 3938  ,-581.83 1652.98\n-000176c0: 2c2d 3537 342e 3132 2039 3830 2e34 342c  ,-574.12 980.44,\n-000176d0: 2d33 3937 2e35 3620 3831 352e 332c 2d33  -397.56 815.3,-3\n-000176e0: 3534 2e32 3922 2f3e 0a3c 706f 6c79 676f  54.29\"/>.<polygo\n-000176f0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n-00017700: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-00017710: 2220 706f 696e 7473 3d22 3831 362e 3137  \" points=\"816.17\n-00017720: 2c2d 3335 302e 3920 3830 352e 3631 2c2d  ,-350.9 805.61,-\n-00017730: 3335 312e 3735 2038 3134 2e34 2c2d 3335  351.75 814.4,-35\n-00017740: 372e 3637 2038 3136 2e31 372c 2d33 3530  7.67 816.17,-350\n-00017750: 2e39 222f 3e0a 3c2f 673e 0a3c 212d 2d20  .9\"/>.</g>.<!-- \n-00017760: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00017770: 6373 5f67 6d78 7072 6570 726f 6365 7373  cs_gmxpreprocess\n-00017780: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00017790: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n-000177a0: 6563 202d 2d3e 0a3c 6720 6964 3d22 6564  ec -->.<g id=\"ed\n-000177b0: 6765 3135 3822 2063 6c61 7373 3d22 6564  ge158\" class=\"ed\n-000177c0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-000177d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-000177e0: 6d78 7072 6570 726f 6365 7373 2623 3435  mxpreprocess&#45\n-000177f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00017800: 6772 6f6d 6163 735f 646f 6d64 6563 3c2f  gromacs_domdec</\n-00017810: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00017820: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-00017830: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-00017840: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n-00017850: 2064 3d22 4d31 3739 372e 3737 2c2d 3131   d=\"M1797.77,-11\n-00017860: 3539 2e31 3543 3135 3931 2e35 362c 2d31  59.15C1591.56,-1\n-00017870: 3135 352e 3536 2039 3033 2e32 342c 2d31  155.56 903.24,-1\n-00017880: 3134 312e 3433 2038 3039 2c2d 3131 3131  141.43 809,-1111\n-00017890: 2e36 3620 3735 392e 332c 2d31 3039 352e  .66 759.3,-1095.\n-000178a0: 3936 2037 3432 2e33 322c 2d31 3038 392e  96 742.32,-1089.\n-000178b0: 3639 2037 3130 2c2d 3130 3438 2e37 3920  69 710,-1048.79 \n-000178c0: 3639 372e 3935 2c2d 3130 3333 2e35 3420  697.95,-1033.54 \n-000178d0: 3639 312e 3239 2c2d 3130 3132 2e33 3320  691.29,-1012.33 \n-000178e0: 3638 372e 3734 2c2d 3939 362e 3331 222f  687.74,-996.31\"/\n-000178f0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+0000d690: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+0000d6a0: 2064 3d22 4d31 3238 382e 3236 2c2d 3232   d=\"M1288.26,-22\n+0000d6b0: 392e 3737 4331 3331 302e 3734 2c2d 3234  9.77C1310.74,-24\n+0000d6c0: 372e 3638 2031 3335 332e 3535 2c2d 3238  7.68 1353.55,-28\n+0000d6d0: 362e 3120 3133 3730 2c2d 3333 302e 3335  6.1 1370,-330.35\n+0000d6e0: 2031 3430 362e 3336 2c2d 3432 382e 3137   1406.36,-428.17\n+0000d6f0: 2031 3334 342e 3038 2c2d 3639 352e 3737   1344.08,-695.77\n+0000d700: 2031 3332 302c 2d37 3937 2e33 3120 3132   1320,-797.31 12\n+0000d710: 3932 2e39 332c 2d39 3131 2e34 3320 3133  92.93,-911.43 13\n+0000d720: 3236 2e35 322c 2d39 3639 2e36 2031 3234  26.52,-969.6 124\n+0000d730: 302c 2d31 3034 382e 3739 2031 3231 342e  0,-1048.79 1214.\n+0000d740: 3539 2c2d 3130 3732 2e30 3520 3131 3139  59,-1072.05 1119\n+0000d750: 2e31 322c 2d31 3038 362e 3432 2031 3036  .12,-1086.42 106\n+0000d760: 332e 3634 2c2d 3130 3932 2e39 3922 2f3e  3.64,-1092.99\"/>\n+0000d770: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+0000d780: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n+0000d790: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n+0000d7a0: 3d22 3130 3632 2e39 372c 2d31 3038 392e  =\"1062.97,-1089.\n+0000d7b0: 3534 2031 3035 332e 3434 2c2d 3130 3934  54 1053.44,-1094\n+0000d7c0: 2e31 3620 3130 3633 2e37 372c 2d31 3039  .16 1063.77,-109\n+0000d7d0: 362e 3520 3130 3632 2e39 372c 2d31 3038  6.5 1062.97,-108\n+0000d7e0: 392e 3534 222f 3e0a 3c2f 673e 0a3c 212d  9.54\"/>.</g>.<!-\n+0000d7f0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+0000d800: 6d61 6373 5f69 6d64 2623 3435 3b26 6774  macs_imd&#45;&gt\n+0000d810: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0000d820: 6163 735f 6d64 7479 7065 7320 2d2d 3e0a  acs_mdtypes -->.\n+0000d830: 3c67 2069 643d 2265 6467 6539 3022 2063  <g id=\"edge90\" c\n+0000d840: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+0000d850: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+0000d860: 726f 6d61 6373 5f69 6d64 2623 3435 3b26  romacs_imd&#45;&\n+0000d870: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0000d880: 6f6d 6163 735f 6d64 7479 7065 733c 2f74  omacs_mdtypes</t\n+0000d890: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+0000d8a0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+0000d8b0: 2362 6662 6662 6622 2064 3d22 4d31 3330  #bfbfbf\" d=\"M130\n+0000d8c0: 312e 3039 2c2d 3231 392e 3638 4331 3433  1.09,-219.68C143\n+0000d8d0: 362e 3739 2c2d 3232 322e 3936 2032 3033  6.79,-222.96 203\n+0000d8e0: 372e 3239 2c2d 3233 392e 3038 2032 3036  7.29,-239.08 206\n+0000d8f0: 342c 2d32 3637 2e34 3820 3231 3632 2e39  4,-267.48 2162.9\n+0000d900: 2c2d 3337 322e 3632 2031 3934 372e 3931  ,-372.62 1947.91\n+0000d910: 2c2d 3431 342e 3138 2031 3832 312c 2d34  ,-414.18 1821,-4\n+0000d920: 3832 2e39 3620 3137 3738 2c2d 3530 362e  82.96 1778,-506.\n+0000d930: 3237 2031 3734 352e 3337 2c2d 3437 392e  27 1745.37,-479.\n+0000d940: 3132 2031 3731 372c 2d35 3138 2e39 3620  12 1717,-518.96 \n+0000d950: 3136 3637 2e35 352c 2d35 3838 2e34 3120  1667.55,-588.41 \n+0000d960: 3137 3432 2e39 332c 2d36 3232 2e38 2031  1742.93,-622.8 1\n+0000d970: 3735 322c 2d37 3037 2e35 3720 3137 3632  752,-707.57 1762\n+0000d980: 2e31 392c 2d38 3032 2e38 2031 3737 382e  .19,-802.8 1778.\n+0000d990: 3737 2c2d 3833 312e 3120 3137 3532 2c2d  77,-831.1 1752,-\n+0000d9a0: 3932 332e 3035 2031 3734 322e 3734 2c2d  923.05 1742.74,-\n+0000d9b0: 3935 342e 3835 2031 3733 392e 3534 2c2d  954.85 1739.54,-\n+0000d9c0: 3936 372e 3533 2031 3731 322c 2d39 3835  967.53 1712,-985\n+0000d9d0: 2e39 3220 3136 3735 2e30 372c 2d31 3031  .92 1675.07,-101\n+0000d9e0: 302e 3538 2031 3535 302e 3735 2c2d 3130  0.58 1550.75,-10\n+0000d9f0: 3234 2e36 3520 3134 3831 2e38 392c 2d31  24.65 1481.89,-1\n+0000da00: 3033 302e 3733 222f 3e0a 3c70 6f6c 7967  030.73\"/>.<polyg\n+0000da10: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n+0000da20: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+0000da30: 6622 2070 6f69 6e74 733d 2231 3438 312e  f\" points=\"1481.\n+0000da40: 3431 2c2d 3130 3237 2e32 3620 3134 3731  41,-1027.26 1471\n+0000da50: 2e37 352c 2d31 3033 312e 3620 3134 3832  .75,-1031.6 1482\n+0000da60: 2e30 312c 2d31 3033 342e 3233 2031 3438  .01,-1034.23 148\n+0000da70: 312e 3431 2c2d 3130 3237 2e32 3622 2f3e  1.41,-1027.26\"/>\n+0000da80: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+0000da90: 655f 7372 635f 6772 6f6d 6163 735f 696d  e_src_gromacs_im\n+0000daa0: 6426 2334 353b 2667 743b 6d6f 6475 6c65  d&#45;&gt;module\n+0000dab0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c  _src_gromacs_fil\n+0000dac0: 6569 6f20 2d2d 3e0a 3c67 2069 643d 2265  eio -->.<g id=\"e\n+0000dad0: 6467 6538 3622 2063 6c61 7373 3d22 6564  dge86\" class=\"ed\n+0000dae0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+0000daf0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f69  le_src_gromacs_i\n+0000db00: 6d64 2623 3435 3b26 6774 3b6d 6f64 756c  md&#45;&gt;modul\n+0000db10: 655f 7372 635f 6772 6f6d 6163 735f 6669  e_src_gromacs_fi\n+0000db20: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061  leio</title>.<pa\n+0000db30: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+0000db40: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+0000db50: 643d 224d 3133 3030 2e35 362c 2d32 3230  d=\"M1300.56,-220\n+0000db60: 2e36 3743 3133 3739 2e34 372c 2d32 3235  .67C1379.47,-225\n+0000db70: 2e37 3820 3136 3038 2e33 312c 2d32 3432  .78 1608.31,-242\n+0000db80: 2e36 3420 3136 3330 2c2d 3236 372e 3438  .64 1630,-267.48\n+0000db90: 2031 3637 342e 3335 2c2d 3331 382e 3238   1674.35,-318.28\n+0000dba0: 2031 3634 332e 3435 2c2d 3430 362e 3439   1643.45,-406.49\n+0000dbb0: 2031 3632 352e 3434 2c2d 3434 372e 3033   1625.44,-447.03\n+0000dbc0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+0000dbd0: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n+0000dbe0: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n+0000dbf0: 6e74 733d 2231 3632 322e 322c 2d34 3435  nts=\"1622.2,-445\n+0000dc00: 2e37 3120 3136 3231 2e32 2c2d 3435 362e  .71 1621.2,-456.\n+0000dc10: 3236 2031 3632 382e 3536 2c2d 3434 382e  26 1628.56,-448.\n+0000dc20: 3633 2031 3632 322e 322c 2d34 3435 2e37  63 1622.2,-445.7\n+0000dc30: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  1\"/>.</g>.<!-- m\n+0000dc40: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000dc50: 735f 696d 6426 2334 353b 2667 743b 6d6f  s_imd&#45;&gt;mo\n+0000dc60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000dc70: 5f6d 646c 6962 202d 2d3e 0a3c 6720 6964  _mdlib -->.<g id\n+0000dc80: 3d22 6564 6765 3838 2220 636c 6173 733d  =\"edge88\" class=\n+0000dc90: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+0000dca0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000dcb0: 735f 696d 6426 2334 353b 2667 743b 6d6f  s_imd&#45;&gt;mo\n+0000dcc0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000dcd0: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c  _mdlib</title>.<\n+0000dce0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+0000dcf0: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+0000dd00: 2220 643d 224d 3132 3535 2e38 392c 2d32  \" d=\"M1255.89,-2\n+0000dd10: 3238 2e32 3443 3132 3330 2e35 322c 2d32  28.24C1230.52,-2\n+0000dd20: 3339 2e32 3220 3131 3834 2e35 342c 2d32  39.22 1184.54,-2\n+0000dd30: 3537 2e35 3520 3131 3533 2e32 392c 2d32  57.55 1153.29,-2\n+0000dd40: 3639 2e31 3722 2f3e 0a3c 706f 6c79 676f  69.17\"/>.<polygo\n+0000dd50: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n+0000dd60: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+0000dd70: 2220 706f 696e 7473 3d22 3131 3531 2e38  \" points=\"1151.8\n+0000dd80: 392c 2d32 3635 2e39 3620 3131 3433 2e37  9,-265.96 1143.7\n+0000dd90: 312c 2d32 3732 2e36 3920 3131 3534 2e33  1,-272.69 1154.3\n+0000dda0: 2c2d 3237 322e 3533 2031 3135 312e 3839  ,-272.53 1151.89\n+0000ddb0: 2c2d 3236 352e 3936 222f 3e0a 3c2f 673e  ,-265.96\"/>.</g>\n+0000ddc0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+0000ddd0: 5f67 726f 6d61 6373 5f69 6d64 2623 3435  _gromacs_imd&#45\n+0000dde0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0000ddf0: 6772 6f6d 6163 735f 6d64 7275 6e75 7469  gromacs_mdrunuti\n+0000de00: 6c69 7479 202d 2d3e 0a3c 6720 6964 3d22  lity -->.<g id=\"\n+0000de10: 6564 6765 3839 2220 636c 6173 733d 2265  edge89\" class=\"e\n+0000de20: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+0000de30: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000de40: 696d 6426 2334 353b 2667 743b 6d6f 6475  imd&#45;&gt;modu\n+0000de50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+0000de60: 6472 756e 7574 696c 6974 793c 2f74 6974  drunutility</tit\n+0000de70: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+0000de80: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n+0000de90: 3832 6663 6322 2073 7472 6f6b 652d 6461  82fcc\" stroke-da\n+0000dea0: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n+0000deb0: 224d 3132 3531 2e38 362c 2d32 3130 2e30  \"M1251.86,-210.0\n+0000dec0: 3643 3132 3139 2e39 312c 2d31 3939 2e39  6C1219.91,-199.9\n+0000ded0: 3920 3131 3630 2e33 382c 2d31 3831 2e32  9 1160.38,-181.2\n+0000dee0: 3120 3131 3230 2e37 312c 2d31 3638 2e37  1 1120.71,-168.7\n+0000def0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+0000df00: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n+0000df10: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n+0000df20: 6e74 733d 2231 3132 312e 3637 2c2d 3136  nts=\"1121.67,-16\n+0000df30: 352e 3333 2031 3131 312e 3038 2c2d 3136  5.33 1111.08,-16\n+0000df40: 352e 3636 2031 3131 392e 3537 2c2d 3137  5.66 1119.57,-17\n+0000df50: 322e 3031 2031 3132 312e 3637 2c2d 3136  2.01 1121.67,-16\n+0000df60: 352e 3333 222f 3e0a 3c2f 673e 0a3c 212d  5.33\"/>.</g>.<!-\n+0000df70: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+0000df80: 6d61 6373 5f69 6d64 2623 3435 3b26 6774  macs_imd&#45;&gt\n+0000df90: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0000dfa0: 6163 735f 636f 6d6d 616e 646c 696e 6520  acs_commandline \n+0000dfb0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6538  -->.<g id=\"edge8\n+0000dfc0: 3422 2063 6c61 7373 3d22 6564 6765 223e  4\" class=\"edge\">\n+0000dfd0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+0000dfe0: 7263 5f67 726f 6d61 6373 5f69 6d64 2623  rc_gromacs_imd&#\n+0000dff0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0000e000: 635f 6772 6f6d 6163 735f 636f 6d6d 616e  c_gromacs_comman\n+0000e010: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70  dline</title>.<p\n+0000e020: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+0000e030: 7374 726f 6b65 3d22 626c 6163 6b22 2073  stroke=\"black\" s\n+0000e040: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n+0000e050: 2235 2c32 2220 643d 224d 3132 3539 2e36  \"5,2\" d=\"M1259.6\n+0000e060: 362c 2d32 3036 2e34 3743 3132 3337 2e35  6,-206.47C1237.5\n+0000e070: 342c 2d31 3930 2e35 3620 3131 3933 2e33  4,-190.56 1193.3\n+0000e080: 2c2d 3136 302e 3336 2031 3135 322c 2d31  ,-160.36 1152,-1\n+0000e090: 3431 2e37 3420 3131 3135 2e34 332c 2d31  41.74 1115.43,-1\n+0000e0a0: 3235 2e32 3620 3130 3731 2e37 322c 2d31  25.26 1071.72,-1\n+0000e0b0: 3132 2e34 3620 3130 3339 2e32 332c 2d31  12.46 1039.23,-1\n+0000e0c0: 3034 2e31 3622 2f3e 0a3c 706f 6c79 676f  04.16\"/>.<polygo\n+0000e0d0: 6e20 6669 6c6c 3d22 626c 6163 6b22 2073  n fill=\"black\" s\n+0000e0e0: 7472 6f6b 653d 2262 6c61 636b 2220 706f  troke=\"black\" po\n+0000e0f0: 696e 7473 3d22 3130 3430 2e30 382c 2d31  ints=\"1040.08,-1\n+0000e100: 3030 2e37 3720 3130 3239 2e35 332c 2d31  00.77 1029.53,-1\n+0000e110: 3031 2e37 3420 3130 3338 2e33 382c 2d31  01.74 1038.38,-1\n+0000e120: 3037 2e35 3620 3130 3430 2e30 382c 2d31  07.56 1040.08,-1\n+0000e130: 3030 2e37 3722 2f3e 0a3c 2f67 3e0a 3c21  00.77\"/>.</g>.<!\n+0000e140: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+0000e150: 6f6d 6163 735f 696d 6426 2334 353b 2667  omacs_imd&#45;&g\n+0000e160: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0000e170: 6d61 6373 5f64 6f6d 6465 6320 2d2d 3e0a  macs_domdec -->.\n+0000e180: 3c67 2069 643d 2265 6467 6538 3522 2063  <g id=\"edge85\" c\n+0000e190: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+0000e1a0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+0000e1b0: 726f 6d61 6373 5f69 6d64 2623 3435 3b26  romacs_imd&#45;&\n+0000e1c0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0000e1d0: 6f6d 6163 735f 646f 6d64 6563 3c2f 7469  omacs_domdec</ti\n+0000e1e0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+0000e1f0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+0000e200: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n+0000e210: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+0000e220: 3d22 4d31 3234 382e 3237 2c2d 3232 322e  =\"M1248.27,-222.\n+0000e230: 3134 4331 3131 382e 3332 2c2d 3233 372e  14C1118.32,-237.\n+0000e240: 3031 2035 3430 2e38 352c 2d33 3031 2e36  01 540.85,-301.6\n+0000e250: 3420 3531 362c 2d33 3330 2e33 3520 3433  4 516,-330.35 43\n+0000e260: 392e 3234 2c2d 3431 392e 3036 2035 3032  9.24,-419.06 502\n+0000e270: 2e33 332c 2d35 3736 2e38 3320 3532 352e  .33,-576.83 525.\n+0000e280: 312c 2d36 3334 2e38 3922 2f3e 0a3c 706f  1,-634.89\"/>.<po\n+0000e290: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n+0000e2a0: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n+0000e2b0: 3266 6363 2220 706f 696e 7473 3d22 3532  2fcc\" points=\"52\n+0000e2c0: 312e 3936 2c2d 3633 362e 3438 2035 3238  1.96,-636.48 528\n+0000e2d0: 2e38 342c 2d36 3434 2e35 3320 3532 382e  .84,-644.53 528.\n+0000e2e0: 3439 2c2d 3633 332e 3935 2035 3231 2e39  49,-633.95 521.9\n+0000e2f0: 362c 2d36 3336 2e34 3822 2f3e 0a3c 2f67  6,-636.48\"/>.</g\n+0000e300: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+0000e310: 635f 6772 6f6d 6163 735f 7469 6d69 6e67  c_gromacs_timing\n+0000e320: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465   -->.<g id=\"node\n+0000e330: 3138 2220 636c 6173 733d 226e 6f64 6522  18\" class=\"node\"\n+0000e340: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+0000e350: 7372 635f 6772 6f6d 6163 735f 7469 6d69  src_gromacs_timi\n+0000e360: 6e67 3c2f 7469 746c 653e 0a3c 656c 6c69  ng</title>.<elli\n+0000e370: 7073 6520 6669 6c6c 3d22 2362 6662 6662  pse fill=\"#bfbfb\n+0000e380: 6622 2073 7472 6f6b 653d 2262 6c61 636b  f\" stroke=\"black\n+0000e390: 2220 6378 3d22 3134 3834 2220 6379 3d22  \" cx=\"1484\" cy=\"\n+0000e3a0: 2d31 3039 382e 3233 2220 7278 3d22 3330  -1098.23\" rx=\"30\n+0000e3b0: 2e33 3122 2072 793d 2231 332e 3337 222f  .31\" ry=\"13.37\"/\n+0000e3c0: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63  >.<text text-anc\n+0000e3d0: 686f 723d 226d 6964 646c 6522 2078 3d22  hor=\"middle\" x=\"\n+0000e3e0: 3134 3834 2220 793d 222d 3130 3935 2e37  1484\" y=\"-1095.7\n+0000e3f0: 3322 2066 6f6e 742d 6661 6d69 6c79 3d22  3\" font-family=\"\n+0000e400: 4672 6565 5361 6e73 2220 666f 6e74 2d73  FreeSans\" font-s\n+0000e410: 697a 653d 2231 302e 3030 223e 7469 6d69  ize=\"10.00\">timi\n+0000e420: 6e67 3c2f 7465 7874 3e0a 3c2f 673e 0a3c  ng</text>.</g>.<\n+0000e430: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+0000e440: 726f 6d61 6373 5f74 696d 696e 6726 2334  romacs_timing&#4\n+0000e450: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0000e460: 5f67 726f 6d61 6373 5f6d 6474 7970 6573  _gromacs_mdtypes\n+0000e470: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+0000e480: 3931 2220 636c 6173 733d 2265 6467 6522  91\" class=\"edge\"\n+0000e490: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+0000e4a0: 7372 635f 6772 6f6d 6163 735f 7469 6d69  src_gromacs_timi\n+0000e4b0: 6e67 2623 3435 3b26 6774 3b6d 6f64 756c  ng&#45;&gt;modul\n+0000e4c0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+0000e4d0: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70  types</title>.<p\n+0000e4e0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+0000e4f0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+0000e500: 2064 3d22 4d31 3437 342e 3332 2c2d 3130   d=\"M1474.32,-10\n+0000e510: 3835 2e32 4331 3436 372e 3638 2c2d 3130  85.2C1467.68,-10\n+0000e520: 3736 2e39 3520 3134 3538 2e37 2c2d 3130  76.95 1458.7,-10\n+0000e530: 3635 2e38 2031 3435 312e 3031 2c2d 3130  65.8 1451.01,-10\n+0000e540: 3536 2e32 3422 2f3e 0a3c 706f 6c79 676f  56.24\"/>.<polygo\n+0000e550: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n+0000e560: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+0000e570: 2220 706f 696e 7473 3d22 3134 3533 2e36  \" points=\"1453.6\n+0000e580: 362c 2d31 3035 332e 3935 2031 3434 342e  6,-1053.95 1444.\n+0000e590: 3636 2c2d 3130 3438 2e33 3620 3134 3438  66,-1048.36 1448\n+0000e5a0: 2e32 2c2d 3130 3538 2e33 3420 3134 3533  .2,-1058.34 1453\n+0000e5b0: 2e36 362c 2d31 3035 332e 3935 222f 3e0a  .66,-1053.95\"/>.\n+0000e5c0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+0000e5d0: 5f73 7263 5f67 726f 6d61 6373 5f67 7075  _src_gromacs_gpu\n+0000e5e0: 5f75 7469 6c73 2623 3435 3b26 6774 3b6d  _utils&#45;&gt;m\n+0000e5f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000e600: 735f 6d61 7468 202d 2d3e 0a3c 6720 6964  s_math -->.<g id\n+0000e610: 3d22 6564 6765 3935 2220 636c 6173 733d  =\"edge95\" class=\n+0000e620: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+0000e630: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000e640: 735f 6770 755f 7574 696c 7326 2334 353b  s_gpu_utils&#45;\n+0000e650: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0000e660: 726f 6d61 6373 5f6d 6174 683c 2f74 6974  romacs_math</tit\n+0000e670: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+0000e680: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n+0000e690: 6363 6332 3822 2073 7472 6f6b 652d 6461  ccc28\" stroke-da\n+0000e6a0: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n+0000e6b0: 224d 3630 382e 3336 2c2d 3738 322e 3638  \"M608.36,-782.68\n+0000e6c0: 4335 3333 2e37 2c2d 3738 312e 3338 2033  C533.7,-781.38 3\n+0000e6d0: 3736 2e36 382c 2d37 3733 2e38 3920 3334  76.68,-773.89 34\n+0000e6e0: 332c 2d37 3334 2e34 3420 3333 352e 3235  3,-734.44 335.25\n+0000e6f0: 2c2d 3732 352e 3336 2033 3336 2e35 392c  ,-725.36 336.59,\n+0000e700: 2d37 3137 2e36 3420 3334 332c 2d37 3037  -717.64 343,-707\n+0000e710: 2e35 3720 3630 302e 332c 2d33 3033 2e34  .57 600.3,-303.4\n+0000e720: 3920 3131 3133 2e33 342c 2d36 3638 2e33  9 1113.34,-668.3\n+0000e730: 2031 3331 302c 2d32 3331 2e34 3820 3133   1310,-231.48 13\n+0000e740: 3434 2e36 392c 2d31 3534 2e34 3320 3131  44.69,-154.43 11\n+0000e750: 3939 2e39 312c 2d31 3934 2e31 3520 3130  99.91,-194.15 10\n+0000e760: 3235 2c2d 3136 382e 3631 2031 3031 312e  25,-168.61 1011.\n+0000e770: 3934 2c2d 3136 362e 3720 3939 372e 3634  94,-166.7 997.64\n+0000e780: 2c2d 3136 342e 3339 2039 3835 2e30 362c  ,-164.39 985.06,\n+0000e790: 2d31 3632 2e32 3822 2f3e 0a3c 706f 6c79  -162.28\"/>.<poly\n+0000e7a0: 676f 6e20 6669 6c6c 3d22 2332 6363 6332  gon fill=\"#2ccc2\n+0000e7b0: 3822 2073 7472 6f6b 653d 2223 3263 6363  8\" stroke=\"#2ccc\n+0000e7c0: 3238 2220 706f 696e 7473 3d22 3938 352e  28\" points=\"985.\n+0000e7d0: 3431 2c2d 3135 382e 3739 2039 3734 2e39  41,-158.79 974.9\n+0000e7e0: 362c 2d31 3630 2e35 3620 3938 342e 3234  6,-160.56 984.24\n+0000e7f0: 2c2d 3136 352e 3639 2039 3835 2e34 312c  ,-165.69 985.41,\n+0000e800: 2d31 3538 2e37 3922 2f3e 0a3c 2f67 3e0a  -158.79\"/>.</g>.\n+0000e810: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+0000e820: 6772 6f6d 6163 735f 6770 755f 7574 696c  gromacs_gpu_util\n+0000e830: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+0000e840: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e  _src_gromacs_nbn\n+0000e850: 786d 202d 2d3e 0a3c 6720 6964 3d22 6564  xm -->.<g id=\"ed\n+0000e860: 6765 3934 2220 636c 6173 733d 2265 6467  ge94\" class=\"edg\n+0000e870: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+0000e880: 655f 7372 635f 6772 6f6d 6163 735f 6770  e_src_gromacs_gp\n+0000e890: 755f 7574 696c 7326 2334 353b 2667 743b  u_utils&#45;&gt;\n+0000e8a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000e8b0: 6373 5f6e 626e 786d 3c2f 7469 746c 653e  cs_nbnxm</title>\n+0000e8c0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+0000e8d0: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n+0000e8e0: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n+0000e8f0: 7272 6179 3d22 352c 3222 2064 3d22 4d36  rray=\"5,2\" d=\"M6\n+0000e900: 3135 2e32 322c 2d37 3736 2e33 4335 3635  15.22,-776.3C565\n+0000e910: 2e37 322c 2d37 3635 2e35 3220 3437 322e  .72,-765.52 472.\n+0000e920: 362c 2d37 3434 2e30 3220 3432 312e 3138  6,-744.02 421.18\n+0000e930: 2c2d 3733 312e 3535 222f 3e0a 3c70 6f6c  ,-731.55\"/>.<pol\n+0000e940: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n+0000e950: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n+0000e960: 6663 6322 2070 6f69 6e74 733d 2234 3231  fcc\" points=\"421\n+0000e970: 2e37 322c 2d37 3238 2e30 3820 3431 312e  .72,-728.08 411.\n+0000e980: 3138 2c2d 3732 392e 3131 2034 3230 2e30  18,-729.11 420.0\n+0000e990: 362c 2d37 3334 2e38 3820 3432 312e 3732  6,-734.88 421.72\n+0000e9a0: 2c2d 3732 382e 3038 222f 3e0a 3c2f 673e  ,-728.08\"/>.</g>\n+0000e9b0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+0000e9c0: 5f67 726f 6d61 6373 5f67 7075 5f75 7469  _gromacs_gpu_uti\n+0000e9d0: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c  ls&#45;&gt;modul\n+0000e9e0: 655f 7372 635f 6772 6f6d 6163 735f 6861  e_src_gromacs_ha\n+0000e9f0: 7264 7761 7265 202d 2d3e 0a3c 6720 6964  rdware -->.<g id\n+0000ea00: 3d22 6564 6765 3932 2220 636c 6173 733d  =\"edge92\" class=\n+0000ea10: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+0000ea20: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000ea30: 735f 6770 755f 7574 696c 7326 2334 353b  s_gpu_utils&#45;\n+0000ea40: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0000ea50: 726f 6d61 6373 5f68 6172 6477 6172 653c  romacs_hardware<\n+0000ea60: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+0000ea70: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+0000ea80: 3d22 7265 6422 2064 3d22 4d36 3232 2e34  =\"red\" d=\"M622.4\n+0000ea90: 372c 2d37 3934 2e32 3843 3538 382e 3735  7,-794.28C588.75\n+0000eaa0: 2c2d 3830 352e 3332 2035 3239 2e33 392c  ,-805.32 529.39,\n+0000eab0: 2d38 3233 2e35 3920 3438 392e 3739 2c2d  -823.59 489.79,-\n+0000eac0: 3833 352e 3133 222f 3e0a 3c70 6f6c 7967  835.13\"/>.<polyg\n+0000ead0: 6f6e 2066 696c 6c3d 2272 6564 2220 7374  on fill=\"red\" st\n+0000eae0: 726f 6b65 3d22 7265 6422 2070 6f69 6e74  roke=\"red\" point\n+0000eaf0: 733d 2234 3838 2e38 322c 2d38 3331 2e37  s=\"488.82,-831.7\n+0000eb00: 3720 3438 302e 3138 2c2d 3833 372e 3931  7 480.18,-837.91\n+0000eb10: 2034 3930 2e37 362c 2d38 3338 2e35 2034   490.76,-838.5 4\n+0000eb20: 3838 2e38 322c 2d38 3331 2e37 3722 2f3e  88.82,-831.77\"/>\n+0000eb30: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+0000eb40: 655f 7372 635f 6772 6f6d 6163 735f 6770  e_src_gromacs_gp\n+0000eb50: 755f 7574 696c 7326 2334 353b 2667 743b  u_utils&#45;&gt;\n+0000eb60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000eb70: 6373 5f6d 6474 7970 6573 202d 2d3e 0a3c  cs_mdtypes -->.<\n+0000eb80: 6720 6964 3d22 6564 6765 3933 2220 636c  g id=\"edge93\" cl\n+0000eb90: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+0000eba0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+0000ebb0: 6f6d 6163 735f 6770 755f 7574 696c 7326  omacs_gpu_utils&\n+0000ebc0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0000ebd0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n+0000ebe0: 6573 3c2f 7469 746c 653e 0a3c 7061 7468  es</title>.<path\n+0000ebf0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+0000ec00: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n+0000ec10: 224d 3638 372e 3038 2c2d 3738 362e 3433  \"M687.08,-786.43\n+0000ec20: 4337 3939 2e32 2c2d 3739 312e 3420 3131  C799.2,-791.4 11\n+0000ec30: 3135 2e35 322c 2d38 3038 2e31 3120 3131  15.52,-808.11 11\n+0000ec40: 3534 2c2d 3833 332e 3331 2031 3231 382e  54,-833.31 1218.\n+0000ec50: 3935 2c2d 3837 352e 3835 2031 3137 372e  95,-875.85 1177.\n+0000ec60: 3037 2c2d 3933 392e 3120 3132 3339 2c2d  07,-939.1 1239,-\n+0000ec70: 3938 352e 3932 2031 3238 322e 3132 2c2d  985.92 1282.12,-\n+0000ec80: 3130 3138 2e35 3220 3133 3433 2e37 392c  1018.52 1343.79,\n+0000ec90: 2d31 3032 392e 3632 2031 3338 362e 3438  -1029.62 1386.48\n+0000eca0: 2c2d 3130 3333 2e31 3822 2f3e 0a3c 706f  ,-1033.18\"/>.<po\n+0000ecb0: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n+0000ecc0: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n+0000ecd0: 6266 6266 2220 706f 696e 7473 3d22 3133  bfbf\" points=\"13\n+0000ece0: 3836 2e34 2c2d 3130 3336 2e36 3920 3133  86.4,-1036.69 13\n+0000ecf0: 3936 2e36 332c 2d31 3033 332e 3932 2031  96.63,-1033.92 1\n+0000ed00: 3338 362e 3931 2c2d 3130 3239 2e37 2031  386.91,-1029.7 1\n+0000ed10: 3338 362e 342c 2d31 3033 362e 3639 222f  386.4,-1036.69\"/\n+0000ed20: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+0000ed30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75  le_src_gromacs_u\n+0000ed40: 7469 6c69 7479 202d 2d3e 0a3c 6720 6964  tility -->.<g id\n+0000ed50: 3d22 6e6f 6465 3230 2220 636c 6173 733d  =\"node20\" class=\n+0000ed60: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d  \"node\">.<title>m\n+0000ed70: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000ed80: 735f 7574 696c 6974 793c 2f74 6974 6c65  s_utility</title\n+0000ed90: 3e0a 3c67 2069 643d 2261 5f6e 6f64 6532  >.<g id=\"a_node2\n+0000eda0: 3022 3e3c 6120 786c 696e 6b3a 6872 6566  0\"><a xlink:href\n+0000edb0: 3d22 6772 6f75 705f 5f6d 6f64 756c 655f  =\"group__module_\n+0000edc0: 5f75 7469 6c69 7479 2e78 6874 6d6c 2220  _utility.xhtml\" \n+0000edd0: 7461 7267 6574 3d22 5f74 6f70 2220 786c  target=\"_top\" xl\n+0000ede0: 696e 6b3a 7469 746c 653d 2275 7469 6c69  ink:title=\"utili\n+0000edf0: 7479 223e 0a3c 656c 6c69 7073 6520 6669  ty\">.<ellipse fi\n+0000ee00: 6c6c 3d22 2366 6665 3463 6322 2073 7472  ll=\"#ffe4cc\" str\n+0000ee10: 6f6b 653d 2262 6c61 636b 2220 6378 3d22  oke=\"black\" cx=\"\n+0000ee20: 3631 3622 2063 793d 222d 3834 362e 3735  616\" cy=\"-846.75\n+0000ee30: 2220 7278 3d22 3238 2e30 3722 2072 793d  \" rx=\"28.07\" ry=\n+0000ee40: 2231 332e 3337 222f 3e0a 3c74 6578 7420  \"13.37\"/>.<text \n+0000ee50: 7465 7874 2d61 6e63 686f 723d 226d 6964  text-anchor=\"mid\n+0000ee60: 646c 6522 2078 3d22 3631 3622 2079 3d22  dle\" x=\"616\" y=\"\n+0000ee70: 2d38 3434 2e32 3522 2066 6f6e 742d 6661  -844.25\" font-fa\n+0000ee80: 6d69 6c79 3d22 4672 6565 5361 6e73 2220  mily=\"FreeSans\" \n+0000ee90: 666f 6e74 2d73 697a 653d 2231 302e 3030  font-size=\"10.00\n+0000eea0: 223e 7574 696c 6974 793c 2f74 6578 743e  \">utility</text>\n+0000eeb0: 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a  .</a>.</g>.</g>.\n+0000eec0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+0000eed0: 6772 6f6d 6163 735f 6770 755f 7574 696c  gromacs_gpu_util\n+0000eee0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+0000eef0: 5f73 7263 5f67 726f 6d61 6373 5f75 7469  _src_gromacs_uti\n+0000ef00: 6c69 7479 202d 2d3e 0a3c 6720 6964 3d22  lity -->.<g id=\"\n+0000ef10: 6564 6765 3936 2220 636c 6173 733d 2265  edge96\" class=\"e\n+0000ef20: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+0000ef30: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000ef40: 6770 755f 7574 696c 7326 2334 353b 2667  gpu_utils&#45;&g\n+0000ef50: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0000ef60: 6d61 6373 5f75 7469 6c69 7479 3c2f 7469  macs_utility</ti\n+0000ef70: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+0000ef80: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+0000ef90: 3263 6363 3238 2220 7374 726f 6b65 2d64  2ccc28\" stroke-d\n+0000efa0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+0000efb0: 3d22 4d36 3436 2e39 342c 2d37 3937 2e35  =\"M646.94,-797.5\n+0000efc0: 3343 3634 332e 3837 2c2d 3830 352e 3636  3C643.87,-805.66\n+0000efd0: 2036 3338 2e34 392c 2d38 3136 2e33 3920   638.49,-816.39 \n+0000efe0: 3633 322e 3935 2c2d 3832 352e 3636 222f  632.95,-825.66\"/\n+0000eff0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+0000f000: 2223 3263 6363 3238 2220 7374 726f 6b65  \"#2ccc28\" stroke\n+0000f010: 3d22 2332 6363 6332 3822 2070 6f69 6e74  =\"#2ccc28\" point\n+0000f020: 733d 2236 3239 2e38 372c 2d38 3233 2e39  s=\"629.87,-823.9\n+0000f030: 3920 3632 372e 3433 2c2d 3833 342e 3320  9 627.43,-834.3 \n+0000f040: 3633 352e 3736 2c2d 3832 372e 3736 2036  635.76,-827.76 6\n+0000f050: 3239 2e38 372c 2d38 3233 2e39 3922 2f3e  29.87,-823.99\"/>\n+0000f060: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+0000f070: 655f 7372 635f 6772 6f6d 6163 735f 7574  e_src_gromacs_ut\n+0000f080: 696c 6974 7926 2334 353b 2667 743b 6d6f  ility&#45;&gt;mo\n+0000f090: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000f0a0: 5f63 6f6d 7061 7420 2d2d 3e0a 3c67 2069  _compat -->.<g i\n+0000f0b0: 643d 2265 6467 6539 3822 2063 6c61 7373  d=\"edge98\" class\n+0000f0c0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+0000f0d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000f0e0: 6373 5f75 7469 6c69 7479 2623 3435 3b26  cs_utility&#45;&\n+0000f0f0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0000f100: 6f6d 6163 735f 636f 6d70 6174 3c2f 7469  omacs_compat</ti\n+0000f110: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+0000f120: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+0000f130: 3238 3266 6363 2220 643d 224d 3630 362e  282fcc\" d=\"M606.\n+0000f140: 332c 2d38 3333 2e38 3643 3537 392e 3332  3,-833.86C579.32\n+0000f150: 2c2d 3830 302e 3633 2035 3034 2e32 372c  ,-800.63 504.27,\n+0000f160: 2d37 3036 2e39 2034 3837 2c2d 3637 312e  -706.9 487,-671.\n+0000f170: 3537 2034 3638 2e38 322c 2d36 3334 2e33  57 468.82,-634.3\n+0000f180: 3720 3437 382e 3133 2c2d 3631 392e 3936  7 478.13,-619.96\n+0000f190: 2034 3632 2c2d 3538 312e 3833 2034 3339   462,-581.83 439\n+0000f1a0: 2e36 382c 2d35 3239 2e30 3720 3339 372c  .68,-529.07 397,\n+0000f1b0: 2d35 3237 2e38 3120 3339 372c 2d34 3730  -527.81 397,-470\n+0000f1c0: 2e35 3320 3339 372c 2d34 3730 2e35 3320  .53 397,-470.53 \n+0000f1d0: 3339 372c 2d34 3730 2e35 3320 3339 372c  397,-470.53 397,\n+0000f1e0: 2d34 3035 2e36 3620 3339 372c 2d32 3532  -405.66 397,-252\n+0000f1f0: 2e35 3420 3634 332e 3035 2c2d 3232 342e  .54 643.05,-224.\n+0000f200: 3839 2037 3436 2e32 372c 2d32 3230 2e30  89 746.27,-220.0\n+0000f210: 3222 2f3e 0a3c 706f 6c79 676f 6e20 6669  2\"/>.<polygon fi\n+0000f220: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n+0000f230: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n+0000f240: 696e 7473 3d22 3734 362e 3534 2c2d 3232  ints=\"746.54,-22\n+0000f250: 332e 3531 2037 3536 2e33 382c 2d32 3139  3.51 756.38,-219\n+0000f260: 2e36 2037 3436 2e32 342c 2d32 3136 2e35  .6 746.24,-216.5\n+0000f270: 3220 3734 362e 3534 2c2d 3232 332e 3531  2 746.54,-223.51\n+0000f280: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+0000f290: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000f2a0: 5f75 7469 6c69 7479 2623 3435 3b26 6774  _utility&#45;&gt\n+0000f2b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0000f2c0: 6163 735f 6770 755f 7574 696c 7320 2d2d  acs_gpu_utils --\n+0000f2d0: 3e0a 3c67 2069 643d 2265 6467 6539 3722  >.<g id=\"edge97\"\n+0000f2e0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+0000f2f0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+0000f300: 5f67 726f 6d61 6373 5f75 7469 6c69 7479  _gromacs_utility\n+0000f310: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0000f320: 7372 635f 6772 6f6d 6163 735f 6770 755f  src_gromacs_gpu_\n+0000f330: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70  utils</title>.<p\n+0000f340: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+0000f350: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+0000f360: 2064 3d22 4d36 3137 2e30 342c 2d38 3333   d=\"M617.04,-833\n+0000f370: 2e31 3343 3632 302e 3034 2c2d 3832 352e  .13C620.04,-825.\n+0000f380: 3139 2036 3235 2e32 342c 2d38 3134 2e37  19 625.24,-814.7\n+0000f390: 3620 3633 302e 3636 2c2d 3830 352e 3632  6 630.66,-805.62\n+0000f3a0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+0000f3b0: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n+0000f3c0: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n+0000f3d0: 6e74 733d 2236 3333 2e36 392c 2d38 3037  nts=\"633.69,-807\n+0000f3e0: 2e33 3820 3633 362e 3037 2c2d 3739 372e  .38 636.07,-797.\n+0000f3f0: 3036 2036 3237 2e37 372c 2d38 3033 2e36  06 627.77,-803.6\n+0000f400: 3420 3633 332e 3639 2c2d 3830 372e 3338  4 633.69,-807.38\n+0000f410: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+0000f420: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000f430: 5f73 696d 6420 2d2d 3e0a 3c67 2069 643d  _simd -->.<g id=\n+0000f440: 226e 6f64 6532 3122 2063 6c61 7373 3d22  \"node21\" class=\"\n+0000f450: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f  node\">.<title>mo\n+0000f460: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000f470: 5f73 696d 643c 2f74 6974 6c65 3e0a 3c67  _simd</title>.<g\n+0000f480: 2069 643d 2261 5f6e 6f64 6532 3122 3e3c   id=\"a_node21\"><\n+0000f490: 6120 786c 696e 6b3a 6872 6566 3d22 6772  a xlink:href=\"gr\n+0000f4a0: 6f75 705f 5f6d 6f64 756c 655f 5f73 696d  oup__module__sim\n+0000f4b0: 642e 7868 746d 6c22 2074 6172 6765 743d  d.xhtml\" target=\n+0000f4c0: 225f 746f 7022 2078 6c69 6e6b 3a74 6974  \"_top\" xlink:tit\n+0000f4d0: 6c65 3d22 7369 6d64 223e 0a3c 656c 6c69  le=\"simd\">.<elli\n+0000f4e0: 7073 6520 6669 6c6c 3d22 2366 6665 3463  pse fill=\"#ffe4c\n+0000f4f0: 6322 2073 7472 6f6b 653d 2262 6c61 636b  c\" stroke=\"black\n+0000f500: 2220 6378 3d22 3231 3739 2220 6379 3d22  \" cx=\"2179\" cy=\"\n+0000f510: 2d31 3238 362e 3834 2220 7278 3d22 3237  -1286.84\" rx=\"27\n+0000f520: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c  \" ry=\"13.37\"/>.<\n+0000f530: 7465 7874 2074 6578 742d 616e 6368 6f72  text text-anchor\n+0000f540: 3d22 6d69 6464 6c65 2220 783d 2232 3137  =\"middle\" x=\"217\n+0000f550: 3922 2079 3d22 2d31 3238 342e 3334 2220  9\" y=\"-1284.34\" \n+0000f560: 666f 6e74 2d66 616d 696c 793d 2246 7265  font-family=\"Fre\n+0000f570: 6553 616e 7322 2066 6f6e 742d 7369 7a65  eSans\" font-size\n+0000f580: 3d22 3130 2e30 3022 3e73 696d 643c 2f74  =\"10.00\">simd</t\n+0000f590: 6578 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c  ext>.</a>.</g>.<\n+0000f5a0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+0000f5b0: 7372 635f 6772 6f6d 6163 735f 7461 626c  src_gromacs_tabl\n+0000f5c0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c  es&#45;&gt;modul\n+0000f5d0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+0000f5e0: 7479 7065 7320 2d2d 3e0a 3c67 2069 643d  types -->.<g id=\n+0000f5f0: 2265 6467 6531 3031 2220 636c 6173 733d  \"edge101\" class=\n+0000f600: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+0000f610: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000f620: 735f 7461 626c 6573 2623 3435 3b26 6774  s_tables&#45;&gt\n+0000f630: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0000f640: 6163 735f 6d64 7479 7065 733c 2f74 6974  acs_mdtypes</tit\n+0000f650: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+0000f660: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n+0000f670: 6662 6662 6622 2064 3d22 4d31 3431 392e  fbfbf\" d=\"M1419.\n+0000f680: 3434 2c2d 3136 382e 3537 4331 3434 302e  44,-168.57C1440.\n+0000f690: 3834 2c2d 3234 352e 3937 2031 3535 352c  84,-245.97 1555,\n+0000f6a0: 2d36 3631 2e35 3320 3135 3535 2c2d 3732  -661.53 1555,-72\n+0000f6b0: 302e 3031 2031 3535 352c 2d39 3130 2e36  0.01 1555,-910.6\n+0000f6c0: 3220 3135 3535 2c2d 3931 302e 3632 2031  2 1555,-910.62 1\n+0000f6d0: 3535 352c 2d39 3130 2e36 3220 3135 3535  555,-910.62 1555\n+0000f6e0: 2c2d 3934 382e 3331 2031 3534 312e 3833  ,-948.31 1541.83\n+0000f6f0: 2c2d 3935 382e 3437 2031 3531 362c 2d39  ,-958.47 1516,-9\n+0000f700: 3835 2e39 3220 3135 3032 2e33 392c 2d31  85.92 1502.39,-1\n+0000f710: 3030 302e 3339 2031 3438 332e 3531 2c2d  000.39 1483.51,-\n+0000f720: 3130 3132 2e30 3120 3134 3637 2e34 2c2d  1012.01 1467.4,-\n+0000f730: 3130 3230 2e32 3422 2f3e 0a3c 706f 6c79  1020.24\"/>.<poly\n+0000f740: 676f 6e20 6669 6c6c 3d22 2362 6662 6662  gon fill=\"#bfbfb\n+0000f750: 6622 2073 7472 6f6b 653d 2223 6266 6266  f\" stroke=\"#bfbf\n+0000f760: 6266 2220 706f 696e 7473 3d22 3134 3635  bf\" points=\"1465\n+0000f770: 2e37 342c 2d31 3031 372e 3136 2031 3435  .74,-1017.16 145\n+0000f780: 382e 332c 2d31 3032 342e 3639 2031 3436  8.3,-1024.69 146\n+0000f790: 382e 3832 2c2d 3130 3233 2e34 3520 3134  8.82,-1023.45 14\n+0000f7a0: 3635 2e37 342c 2d31 3031 372e 3136 222f  65.74,-1017.16\"/\n+0000f7b0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+0000f7c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n+0000f7d0: 6162 6c65 7326 2334 353b 2667 743b 6d6f  ables&#45;&gt;mo\n+0000f7e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000f7f0: 5f66 696c 6569 6f20 2d2d 3e0a 3c67 2069  _fileio -->.<g i\n+0000f800: 643d 2265 6467 6539 3922 2063 6c61 7373  d=\"edge99\" class\n+0000f810: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+0000f820: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000f830: 6373 5f74 6162 6c65 7326 2334 353b 2667  cs_tables&#45;&g\n+0000f840: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0000f850: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974  macs_fileio</tit\n+0000f860: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+0000f870: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n+0000f880: 6662 6662 6622 2064 3d22 4d31 3433 372e  fbfbf\" d=\"M1437.\n+0000f890: 392c 2d31 3634 2e35 3143 3134 3535 2c2d  9,-164.51C1455,-\n+0000f8a0: 3137 322e 3233 2031 3437 372e 3834 2c2d  172.23 1477.84,-\n+0000f8b0: 3138 352e 3431 2031 3439 302c 2d32 3034  185.41 1490,-204\n+0000f8c0: 2e36 3120 3135 3431 2e37 352c 2d32 3836  .61 1541.75,-286\n+0000f8d0: 2e32 3920 3134 3633 2e39 312c 2d33 3431  .29 1463.91,-341\n+0000f8e0: 2e33 3320 3135 3230 2c2d 3432 302e 3039  .33 1520,-420.09\n+0000f8f0: 2031 3533 342e 3535 2c2d 3434 302e 3533   1534.55,-440.53\n+0000f900: 2031 3536 302e 3333 2c2d 3435 322e 3920   1560.33,-452.9 \n+0000f910: 3135 3831 2e33 362c 2d34 3630 2e30 3222  1581.36,-460.02\"\n+0000f920: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+0000f930: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n+0000f940: 653d 2223 6266 6266 6266 2220 706f 696e  e=\"#bfbfbf\" poin\n+0000f950: 7473 3d22 3135 3830 2e33 342c 2d34 3633  ts=\"1580.34,-463\n+0000f960: 2e33 3720 3135 3930 2e39 332c 2d34 3633  .37 1590.93,-463\n+0000f970: 2e30 3220 3135 3832 2e34 332c 2d34 3536  .02 1582.43,-456\n+0000f980: 2e36 3920 3135 3830 2e33 342c 2d34 3633  .69 1580.34,-463\n+0000f990: 2e33 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .37\"/>.</g>.<!--\n+0000f9a0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+0000f9b0: 6163 735f 7461 626c 6573 2623 3435 3b26  acs_tables&#45;&\n+0000f9c0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0000f9d0: 6f6d 6163 735f 6d64 7370 616e 202d 2d3e  omacs_mdspan -->\n+0000f9e0: 0a3c 6720 6964 3d22 6564 6765 3130 3022  .<g id=\"edge100\"\n+0000f9f0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+0000fa00: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+0000fa10: 5f67 726f 6d61 6373 5f74 6162 6c65 7326  _gromacs_tables&\n+0000fa20: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0000fa30: 7263 5f67 726f 6d61 6373 5f6d 6473 7061  rc_gromacs_mdspa\n+0000fa40: 6e3c 2f74 6974 6c65 3e0a 3c70 6174 6820  n</title>.<path \n+0000fa50: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+0000fa60: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n+0000fa70: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n+0000fa80: 2c32 2220 643d 224d 3134 3238 2e32 332c  ,2\" d=\"M1428.23,\n+0000fa90: 2d31 3432 2e37 3343 3134 3337 2e34 362c  -142.73C1437.46,\n+0000faa0: 2d31 3334 2e30 3820 3134 3530 2e33 332c  -134.08 1450.33,\n+0000fab0: 2d31 3232 2e30 3320 3134 3631 2e30 342c  -122.03 1461.04,\n+0000fac0: 2d31 3131 2e39 3922 2f3e 0a3c 706f 6c79  -111.99\"/>.<poly\n+0000fad0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663  gon fill=\"#282fc\n+0000fae0: 6322 2073 7472 6f6b 653d 2223 3238 3266  c\" stroke=\"#282f\n+0000faf0: 6363 2220 706f 696e 7473 3d22 3134 3633  cc\" points=\"1463\n+0000fb00: 2e34 382c 2d31 3134 2e35 3120 3134 3638  .48,-114.51 1468\n+0000fb10: 2e33 392c 2d31 3035 2e31 3220 3134 3538  .39,-105.12 1458\n+0000fb20: 2e36 392c 2d31 3039 2e34 2031 3436 332e  .69,-109.4 1463.\n+0000fb30: 3438 2c2d 3131 342e 3531 222f 3e0a 3c2f  48,-114.51\"/>.</\n+0000fb40: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0000fb50: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n+0000fb60: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0000fb70: 7372 635f 6772 6f6d 6163 735f 676d 786c  src_gromacs_gmxl\n+0000fb80: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564  ib -->.<g id=\"ed\n+0000fb90: 6765 3130 3522 2063 6c61 7373 3d22 6564  ge105\" class=\"ed\n+0000fba0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+0000fbb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+0000fbc0: 646c 6962 2623 3435 3b26 6774 3b6d 6f64  dlib&#45;&gt;mod\n+0000fbd0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000fbe0: 676d 786c 6962 3c2f 7469 746c 653e 0a3c  gmxlib</title>.<\n+0000fbf0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+0000fc00: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+0000fc10: 2220 643d 224d 3131 3437 2e30 332c 2d32  \" d=\"M1147.03,-2\n+0000fc20: 3836 2e33 3943 3131 3732 2e34 322c 2d32  86.39C1172.42,-2\n+0000fc30: 3932 2e35 3620 3132 3039 2e37 342c 2d33  92.56 1209.74,-3\n+0000fc40: 3035 2e38 3120 3132 3332 2c2d 3333 302e  05.81 1232,-330.\n+0000fc50: 3335 2031 3333 312e 3932 2c2d 3434 302e  35 1331.92,-440.\n+0000fc60: 3520 3133 3034 2c2d 3530 382e 3431 2031  5 1304,-508.41 1\n+0000fc70: 3330 342c 2d36 3537 2e31 3420 3133 3034  304,-657.14 1304\n+0000fc80: 2c2d 3732 322e 3031 2031 3330 342c 2d37  ,-722.01 1304,-7\n+0000fc90: 3232 2e30 3120 3133 3034 2c2d 3732 322e  22.01 1304,-722.\n+0000fca0: 3031 2031 3330 342c 2d37 3634 2e37 3520  01 1304,-764.75 \n+0000fcb0: 3131 3330 2e33 362c 2d31 3031 372e 3733  1130.36,-1017.73\n+0000fcc0: 2031 3130 312c 2d31 3034 382e 3739 2031   1101,-1048.79 1\n+0000fcd0: 3038 372e 3933 2c2d 3130 3632 2e36 3220  087.93,-1062.62 \n+0000fce0: 3130 3730 2e33 342c 2d31 3037 342e 3839  1070.34,-1074.89\n+0000fcf0: 2031 3035 352e 3031 2c2d 3130 3833 2e36   1055.01,-1083.6\n+0000fd00: 3322 2f3e 0a3c 706f 6c79 676f 6e20 6669  3\"/>.<polygon fi\n+0000fd10: 6c6c 3d22 2362 6662 6662 6622 2073 7472  ll=\"#bfbfbf\" str\n+0000fd20: 6f6b 653d 2223 6266 6266 6266 2220 706f  oke=\"#bfbfbf\" po\n+0000fd30: 696e 7473 3d22 3130 3532 2e39 352c 2d31  ints=\"1052.95,-1\n+0000fd40: 3038 302e 3736 2031 3034 352e 3832 2c2d  080.76 1045.82,-\n+0000fd50: 3130 3838 2e35 3920 3130 3536 2e32 382c  1088.59 1056.28,\n+0000fd60: 2d31 3038 362e 3932 2031 3035 322e 3935  -1086.92 1052.95\n+0000fd70: 2c2d 3130 3830 2e37 3622 2f3e 0a3c 2f67  ,-1080.76\"/>.</g\n+0000fd80: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+0000fd90: 635f 6772 6f6d 6163 735f 6d64 6c69 6226  c_gromacs_mdlib&\n+0000fda0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0000fdb0: 7263 5f67 726f 6d61 6373 5f6e 626e 786d  rc_gromacs_nbnxm\n+0000fdc0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+0000fdd0: 3130 3722 2063 6c61 7373 3d22 6564 6765  107\" class=\"edge\n+0000fde0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+0000fdf0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c  _src_gromacs_mdl\n+0000fe00: 6962 2623 3435 3b26 6774 3b6d 6f64 756c  ib&#45;&gt;modul\n+0000fe10: 655f 7372 635f 6772 6f6d 6163 735f 6e62  e_src_gromacs_nb\n+0000fe20: 6e78 6d3c 2f74 6974 6c65 3e0a 3c70 6174  nxm</title>.<pat\n+0000fe30: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+0000fe40: 726f 6b65 3d22 7265 6422 2064 3d22 4d31  roke=\"red\" d=\"M1\n+0000fe50: 3039 322e 3837 2c2d 3238 332e 3031 4339  092.87,-283.01C9\n+0000fe60: 3830 2e34 362c 2d32 3837 2e33 3120 3536  80.46,-287.31 56\n+0000fe70: 382e 3332 2c2d 3330 342e 3038 2035 3136  8.32,-304.08 516\n+0000fe80: 2c2d 3333 302e 3335 2033 3839 2e31 322c  ,-330.35 389.12,\n+0000fe90: 2d33 3934 2e30 3720 3336 342e 3032 2c2d  -394.07 364.02,-\n+0000fea0: 3434 372e 3138 2033 3139 2c2d 3538 312e  447.18 319,-581.\n+0000feb0: 3833 2033 3033 2e38 362c 2d36 3237 2e31  83 303.86,-627.1\n+0000fec0: 3120 3334 342e 3432 2c2d 3637 352e 3032  1 344.42,-675.02\n+0000fed0: 2033 3638 2e37 362c 2d37 3030 2e38 3222   368.76,-700.82\"\n+0000fee0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+0000fef0: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n+0000ff00: 6564 2220 706f 696e 7473 3d22 3336 362e  ed\" points=\"366.\n+0000ff10: 3238 2c2d 3730 332e 3239 2033 3735 2e37  28,-703.29 375.7\n+0000ff20: 322c 2d37 3038 2e31 2033 3731 2e33 342c  2,-708.1 371.34,\n+0000ff30: 2d36 3938 2e34 3520 3336 362e 3238 2c2d  -698.45 366.28,-\n+0000ff40: 3730 332e 3239 222f 3e0a 3c2f 673e 0a3c  703.29\"/>.</g>.<\n+0000ff50: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+0000ff60: 726f 6d61 6373 5f6d 646c 6962 2623 3435  romacs_mdlib&#45\n+0000ff70: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0000ff80: 6772 6f6d 6163 735f 7261 6e64 6f6d 202d  gromacs_random -\n+0000ff90: 2d3e 0a3c 6720 6964 3d22 6564 6765 3131  ->.<g id=\"edge11\n+0000ffa0: 3822 2063 6c61 7373 3d22 6564 6765 223e  8\" class=\"edge\">\n+0000ffb0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+0000ffc0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n+0000ffd0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0000ffe0: 7372 635f 6772 6f6d 6163 735f 7261 6e64  src_gromacs_rand\n+0000fff0: 6f6d 3c2f 7469 746c 653e 0a3c 7061 7468  om</title>.<path\n+00010000: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00010010: 6f6b 653d 2262 6c61 636b 2220 7374 726f  oke=\"black\" stro\n+00010020: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+00010030: 3222 2064 3d22 4d31 3134 332e 3032 2c2d  2\" d=\"M1143.02,-\n+00010040: 3237 322e 3434 4331 3134 392e 342c 2d32  272.44C1149.4,-2\n+00010050: 3730 2e35 3420 3131 3536 2e34 322c 2d32  70.54 1156.42,-2\n+00010060: 3638 2e36 3920 3131 3633 2c2d 3236 372e  68.69 1163,-267.\n+00010070: 3438 2031 3338 322e 3031 2c2d 3232 372e  48 1382.01,-227.\n+00010080: 3139 2031 3634 392e 3339 2c2d 3232 302e  19 1649.39,-220.\n+00010090: 3331 2031 3735 342c 2d32 3139 2e32 3122  31 1754,-219.21\"\n+000100a0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+000100b0: 3d22 626c 6163 6b22 2073 7472 6f6b 653d  =\"black\" stroke=\n+000100c0: 2262 6c61 636b 2220 706f 696e 7473 3d22  \"black\" points=\"\n+000100d0: 3137 3534 2e32 332c 2d32 3232 2e37 3120  1754.23,-222.71 \n+000100e0: 3137 3634 2e32 2c2d 3231 392e 3132 2031  1764.2,-219.12 1\n+000100f0: 3735 342e 3137 2c2d 3231 352e 3731 2031  754.17,-215.71 1\n+00010100: 3735 342e 3233 2c2d 3232 322e 3731 222f  754.23,-222.71\"/\n+00010110: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00010120: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00010130: 646c 6962 2623 3435 3b26 6774 3b6d 6f64  dlib&#45;&gt;mod\n+00010140: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00010150: 6861 7264 7761 7265 202d 2d3e 0a3c 6720  hardware -->.<g \n+00010160: 6964 3d22 6564 6765 3131 3322 2063 6c61  id=\"edge113\" cla\n+00010170: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+00010180: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+00010190: 6d61 6373 5f6d 646c 6962 2623 3435 3b26  macs_mdlib&#45;&\n+000101a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+000101b0: 6f6d 6163 735f 6861 7264 7761 7265 3c2f  omacs_hardware</\n+000101c0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+000101d0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+000101e0: 2272 6564 2220 643d 224d 3130 3932 2e36  \"red\" d=\"M1092.6\n+000101f0: 322c 2d32 3831 2e36 3643 3938 312e 3139  2,-281.66C981.19\n+00010200: 2c2d 3238 312e 3031 2035 3733 2e39 382c  ,-281.01 573.98,\n+00010210: 2d32 3832 2e30 3620 3435 362c 2d33 3330  -282.06 456,-330\n+00010220: 2e33 3520 3335 312e 3139 2c2d 3337 332e  .35 351.19,-373.\n+00010230: 3235 2033 3134 2e36 312c 2d34 3332 2e37  25 314.61,-432.7\n+00010240: 3120 3332 302c 2d35 3435 2e38 3320 3332  1 320,-545.83 32\n+00010250: 342e 3231 2c2d 3633 342e 3137 2033 3232  4.21,-634.17 322\n+00010260: 2e34 392c 2d37 3538 2e30 3620 3335 342c  .49,-758.06 354,\n+00010270: 2d37 3937 2e33 3120 3336 382e 3139 2c2d  -797.31 368.19,-\n+00010280: 3831 3520 3339 302e 3533 2c2d 3832 362e  815 390.53,-826.\n+00010290: 3820 3431 302e 3039 2c2d 3833 342e 3333  8 410.09,-834.33\n+000102a0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+000102b0: 6c3d 2272 6564 2220 7374 726f 6b65 3d22  l=\"red\" stroke=\"\n+000102c0: 7265 6422 2070 6f69 6e74 733d 2234 3039  red\" points=\"409\n+000102d0: 2e31 322c 2d38 3337 2e37 2034 3139 2e37  .12,-837.7 419.7\n+000102e0: 322c 2d38 3337 2e37 3820 3431 312e 3439  2,-837.78 411.49\n+000102f0: 2c2d 3833 312e 3131 2034 3039 2e31 322c  ,-831.11 409.12,\n+00010300: 2d38 3337 2e37 222f 3e0a 3c2f 673e 0a3c  -837.7\"/>.</g>.<\n+00010310: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00010320: 726f 6d61 6373 5f6d 646c 6962 2623 3435  romacs_mdlib&#45\n+00010330: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00010340: 6772 6f6d 6163 735f 6d64 7479 7065 7320  gromacs_mdtypes \n+00010350: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+00010360: 3036 2220 636c 6173 733d 2265 6467 6522  06\" class=\"edge\"\n+00010370: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00010380: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n+00010390: 6226 2334 353b 2667 743b 6d6f 6475 6c65  b&#45;&gt;module\n+000103a0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474  _src_gromacs_mdt\n+000103b0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061  ypes</title>.<pa\n+000103c0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+000103d0: 7472 6f6b 653d 2272 6564 2220 643d 224d  troke=\"red\" d=\"M\n+000103e0: 3131 3439 2e32 2c2d 3238 322e 3438 4331  1149.2,-282.48C1\n+000103f0: 3139 332e 3334 2c2d 3238 342e 3435 2031  193.34,-284.45 1\n+00010400: 3237 392e 3035 2c2d 3239 332e 3039 2031  279.05,-293.09 1\n+00010410: 3333 392c 2d33 3330 2e33 3520 3134 3030  339,-330.35 1400\n+00010420: 2e33 362c 2d33 3638 2e34 3820 3134 3038  .36,-368.48 1408\n+00010430: 2e33 2c2d 3339 322e 3139 2031 3434 322c  .3,-392.19 1442,\n+00010440: 2d34 3536 2e30 3920 3134 3538 2e32 362c  -456.09 1458.26,\n+00010450: 2d34 3836 2e39 3320 3134 3634 2c2d 3439  -486.93 1464,-49\n+00010460: 362e 3533 2031 3436 342c 2d35 3331 2e34  6.53 1464,-531.4\n+00010470: 2031 3436 342c 2d39 3130 2e36 3220 3134   1464,-910.62 14\n+00010480: 3634 2c2d 3931 302e 3632 2031 3436 342c  64,-910.62 1464,\n+00010490: 2d39 3130 2e36 3220 3134 3634 2c2d 3934  -910.62 1464,-94\n+000104a0: 362e 3739 2031 3435 352e 3537 2c2d 3938  6.79 1455.57,-98\n+000104b0: 382e 3137 2031 3434 372e 3139 2c2d 3130  8.17 1447.19,-10\n+000104c0: 3132 2e37 3322 2f3e 0a3c 706f 6c79 676f  12.73\"/>.<polygo\n+000104d0: 6e20 6669 6c6c 3d22 7265 6422 2073 7472  n fill=\"red\" str\n+000104e0: 6f6b 653d 2272 6564 2220 706f 696e 7473  oke=\"red\" points\n+000104f0: 3d22 3134 3433 2e38 382c 2d31 3031 312e  =\"1443.88,-1011.\n+00010500: 3538 2031 3434 332e 3632 2c2d 3130 3232  58 1443.62,-1022\n+00010510: 2e31 3720 3134 3530 2e34 332c 2d31 3031  .17 1450.43,-101\n+00010520: 342e 3035 2031 3434 332e 3838 2c2d 3130  4.05 1443.88,-10\n+00010530: 3131 2e35 3822 2f3e 0a3c 2f67 3e0a 3c21  11.58\"/>.</g>.<!\n+00010540: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00010550: 6f6d 6163 735f 6d64 6c69 6226 2334 353b  omacs_mdlib&#45;\n+00010560: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00010570: 726f 6d61 6373 5f6c 6973 7465 645f 666f  romacs_listed_fo\n+00010580: 7263 6573 202d 2d3e 0a3c 6720 6964 3d22  rces -->.<g id=\"\n+00010590: 6564 6765 3131 3422 2063 6c61 7373 3d22  edge114\" class=\"\n+000105a0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+000105b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000105c0: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d  _mdlib&#45;&gt;m\n+000105d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000105e0: 735f 6c69 7374 6564 5f66 6f72 6365 733c  s_listed_forces<\n+000105f0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00010600: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00010610: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+00010620: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n+00010630: 2220 643d 224d 3130 3933 2e30 362c 2d32  \" d=\"M1093.06,-2\n+00010640: 3737 2e38 3243 3938 342e 3832 2c2d 3236  77.82C984.82,-26\n+00010650: 392e 3236 2035 3932 2e36 342c 2d32 3336  9.26 592.64,-236\n+00010660: 2e37 3720 3434 342e 332c 2d32 3234 2e31  .77 444.3,-224.1\n+00010670: 3222 2f3e 0a3c 706f 6c79 676f 6e20 6669  2\"/>.<polygon fi\n+00010680: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n+00010690: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n+000106a0: 696e 7473 3d22 3434 342e 3331 2c2d 3232  ints=\"444.31,-22\n+000106b0: 302e 3631 2034 3334 2e30 352c 2d32 3233  0.61 434.05,-223\n+000106c0: 2e32 3520 3434 332e 3731 2c2d 3232 372e  .25 443.71,-227.\n+000106d0: 3539 2034 3434 2e33 312c 2d32 3230 2e36  59 444.31,-220.6\n+000106e0: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  1\"/>.</g>.<!-- m\n+000106f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00010700: 735f 6d64 6c69 6226 2334 353b 2667 743b  s_mdlib&#45;&gt;\n+00010710: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00010720: 6373 5f65 7373 656e 7469 616c 6479 6e61  cs_essentialdyna\n+00010730: 6d69 6373 202d 2d3e 0a3c 6720 6964 3d22  mics -->.<g id=\"\n+00010740: 6564 6765 3131 3622 2063 6c61 7373 3d22  edge116\" class=\"\n+00010750: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00010760: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00010770: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d  _mdlib&#45;&gt;m\n+00010780: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00010790: 735f 6573 7365 6e74 6961 6c64 796e 616d  s_essentialdynam\n+000107a0: 6963 733c 2f74 6974 6c65 3e0a 3c70 6174  ics</title>.<pat\n+000107b0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+000107c0: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n+000107d0: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n+000107e0: 2235 2c32 2220 643d 224d 3130 3937 2e35  \"5,2\" d=\"M1097.5\n+000107f0: 392c 2d32 3733 2e30 3543 3130 3639 2e33  9,-273.05C1069.3\n+00010800: 342c 2d32 3633 2e37 2031 3032 312e 392c  4,-263.7 1021.9,\n+00010810: 2d32 3436 2e36 3920 3938 392e 3033 2c2d  -246.69 989.03,-\n+00010820: 3233 342e 3235 222f 3e0a 3c70 6f6c 7967  234.25\"/>.<polyg\n+00010830: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n+00010840: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+00010850: 6322 2070 6f69 6e74 733d 2239 3839 2e39  c\" points=\"989.9\n+00010860: 322c 2d32 3330 2e38 3420 3937 392e 3333  2,-230.84 979.33\n+00010870: 2c2d 3233 302e 3535 2039 3837 2e34 332c  ,-230.55 987.43,\n+00010880: 2d32 3337 2e33 3820 3938 392e 3932 2c2d  -237.38 989.92,-\n+00010890: 3233 302e 3834 222f 3e0a 3c2f 673e 0a3c  230.84\"/>.</g>.<\n+000108a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+000108b0: 726f 6d61 6373 5f6d 646c 6962 2623 3435  romacs_mdlib&#45\n+000108c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+000108d0: 6772 6f6d 6163 735f 6669 6c65 696f 202d  gromacs_fileio -\n+000108e0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3130  ->.<g id=\"edge10\n+000108f0: 3222 2063 6c61 7373 3d22 6564 6765 223e  2\" class=\"edge\">\n+00010900: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00010910: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n+00010920: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00010930: 7372 635f 6772 6f6d 6163 735f 6669 6c65  src_gromacs_file\n+00010940: 696f 3c2f 7469 746c 653e 0a3c 7061 7468  io</title>.<path\n+00010950: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00010960: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n+00010970: 224d 3131 3438 2e31 2c2d 3238 352e 3231  \"M1148.1,-285.21\n+00010980: 4331 3139 312e 3634 2c2d 3239 312e 3035  C1191.64,-291.05\n+00010990: 2031 3237 392e 3433 2c2d 3330 352e 3033   1279.43,-305.03\n+000109a0: 2031 3335 302c 2d33 3330 2e33 3520 3134   1350,-330.35 14\n+000109b0: 3433 2e34 332c 2d33 3633 2e38 3820 3135  43.43,-363.88 15\n+000109c0: 3435 2e32 322c 2d34 3234 2e34 3720 3135  45.22,-424.47 15\n+000109d0: 3930 2e36 392c 2d34 3532 2e39 3422 2f3e  90.69,-452.94\"/>\n+000109e0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+000109f0: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n+00010a00: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n+00010a10: 3d22 3135 3838 2e39 342c 2d34 3535 2e39  =\"1588.94,-455.9\n+00010a20: 3820 3135 3939 2e32 372c 2d34 3538 2e33  8 1599.27,-458.3\n+00010a30: 3520 3135 3932 2e36 382c 2d34 3530 2e30  5 1592.68,-450.0\n+00010a40: 3620 3135 3838 2e39 342c 2d34 3535 2e39  6 1588.94,-455.9\n+00010a50: 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  8\"/>.</g>.<!-- m\n+00010a60: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00010a70: 735f 6d64 6c69 6226 2334 353b 2667 743b  s_mdlib&#45;&gt;\n+00010a80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00010a90: 6373 5f63 6f6d 7061 7420 2d2d 3e0a 3c67  cs_compat -->.<g\n+00010aa0: 2069 643d 2265 6467 6531 3038 2220 636c   id=\"edge108\" cl\n+00010ab0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00010ac0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00010ad0: 6f6d 6163 735f 6d64 6c69 6226 2334 353b  omacs_mdlib&#45;\n+00010ae0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00010af0: 726f 6d61 6373 5f63 6f6d 7061 743c 2f74  romacs_compat</t\n+00010b00: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00010b10: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00010b20: 2332 3832 6663 6322 2064 3d22 4d31 3039  #282fcc\" d=\"M109\n+00010b30: 352e 3338 2c2d 3237 352e 3139 4331 3033  5.38,-275.19C103\n+00010b40: 382e 3334 2c2d 3236 342e 3637 2039 3030  8.34,-264.67 900\n+00010b50: 2e34 392c 2d32 3339 2e32 3420 3833 312e  .49,-239.24 831.\n+00010b60: 362c 2d32 3236 2e35 3322 2f3e 0a3c 706f  6,-226.53\"/>.<po\n+00010b70: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n+00010b80: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n+00010b90: 3266 6363 2220 706f 696e 7473 3d22 3833  2fcc\" points=\"83\n+00010ba0: 322e 3033 2c2d 3232 332e 3035 2038 3231  2.03,-223.05 821\n+00010bb0: 2e35 362c 2d32 3234 2e36 3820 3833 302e  .56,-224.68 830.\n+00010bc0: 3736 2c2d 3232 392e 3934 2038 3332 2e30  76,-229.94 832.0\n+00010bd0: 332c 2d32 3233 2e30 3522 2f3e 0a3c 2f67  3,-223.05\"/>.</g\n+00010be0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00010bf0: 635f 6772 6f6d 6163 735f 6d64 6c69 6226  c_gromacs_mdlib&\n+00010c00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00010c10: 7263 5f67 726f 6d61 6373 5f65 7761 6c64  rc_gromacs_ewald\n+00010c20: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+00010c30: 3130 3422 2063 6c61 7373 3d22 6564 6765  104\" class=\"edge\n+00010c40: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00010c50: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c  _src_gromacs_mdl\n+00010c60: 6962 2623 3435 3b26 6774 3b6d 6f64 756c  ib&#45;&gt;modul\n+00010c70: 655f 7372 635f 6772 6f6d 6163 735f 6577  e_src_gromacs_ew\n+00010c80: 616c 643c 2f74 6974 6c65 3e0a 3c70 6174  ald</title>.<pat\n+00010c90: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00010ca0: 726f 6b65 3d22 7265 6422 2064 3d22 4d31  roke=\"red\" d=\"M1\n+00010cb0: 3039 322e 372c 2d32 3832 2e37 4339 3637  092.7,-282.7C967\n+00010cc0: 2e39 382c 2d32 3836 2e31 3520 3437 322e  .98,-286.15 472.\n+00010cd0: 3138 2c2d 3330 312e 3039 2034 3039 2c2d  18,-301.09 409,-\n+00010ce0: 3333 302e 3335 2032 3639 2e36 362c 2d33  330.35 269.66,-3\n+00010cf0: 3934 2e38 3920 3138 362c 2d34 3430 2e37  94.89 186,-440.7\n+00010d00: 2031 3836 2c2d 3539 342e 3237 2031 3836   186,-594.27 186\n+00010d10: 2c2d 3635 392e 3134 2031 3836 2c2d 3635  ,-659.14 186,-65\n+00010d20: 392e 3134 2031 3836 2c2d 3635 392e 3134  9.14 186,-659.14\n+00010d30: 2031 3836 2c2d 3739 362e 3435 2033 3332   186,-796.45 332\n+00010d40: 2e36 342c 2d39 3132 2e31 2033 3839 2e32  .64,-912.1 389.2\n+00010d50: 392c 2d39 3534 2e33 3422 2f3e 0a3c 706f  9,-954.34\"/>.<po\n+00010d60: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422  lygon fill=\"red\"\n+00010d70: 2073 7472 6f6b 653d 2272 6564 2220 706f   stroke=\"red\" po\n+00010d80: 696e 7473 3d22 3338 372e 3436 2c2d 3935  ints=\"387.46,-95\n+00010d90: 372e 3334 2033 3937 2e35 372c 2d39 3630  7.34 397.57,-960\n+00010da0: 2e34 3820 3339 312e 3632 2c2d 3935 312e  .48 391.62,-951.\n+00010db0: 3731 2033 3837 2e34 362c 2d39 3537 2e33  71 387.46,-957.3\n+00010dc0: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  4\"/>.</g>.<!-- m\n+00010dd0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00010de0: 735f 6d64 6c69 6226 2334 353b 2667 743b  s_mdlib&#45;&gt;\n+00010df0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00010e00: 6373 5f69 6d64 202d 2d3e 0a3c 6720 6964  cs_imd -->.<g id\n+00010e10: 3d22 6564 6765 3132 3022 2063 6c61 7373  =\"edge120\" class\n+00010e20: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00010e30: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00010e40: 6373 5f6d 646c 6962 2623 3435 3b26 6774  cs_mdlib&#45;&gt\n+00010e50: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00010e60: 6163 735f 696d 643c 2f74 6974 6c65 3e0a  acs_imd</title>.\n+00010e70: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00010e80: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+00010e90: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n+00010ea0: 7261 793d 2235 2c32 2220 643d 224d 3131  ray=\"5,2\" d=\"M11\n+00010eb0: 3339 2e35 332c 2d32 3730 2e35 3443 3131  39.53,-270.54C11\n+00010ec0: 3635 2e31 362c 2d32 3539 2e34 3620 3132  65.16,-259.46 12\n+00010ed0: 3131 2e32 362c 2d32 3431 2e30 3920 3132  11.26,-241.09 12\n+00010ee0: 3432 2e33 342c 2d32 3239 2e35 3522 2f3e  42.34,-229.55\"/>\n+00010ef0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00010f00: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n+00010f10: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n+00010f20: 3d22 3132 3433 2e36 382c 2d32 3332 2e37  =\"1243.68,-232.7\n+00010f30: 3920 3132 3531 2e38 362c 2d32 3236 2e30  9 1251.86,-226.0\n+00010f40: 3620 3132 3431 2e32 372c 2d32 3236 2e32  6 1241.27,-226.2\n+00010f50: 3220 3132 3433 2e36 382c 2d32 3332 2e37  2 1243.68,-232.7\n+00010f60: 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  9\"/>.</g>.<!-- m\n+00010f70: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00010f80: 735f 6d64 6c69 6226 2334 353b 2667 743b  s_mdlib&#45;&gt;\n+00010f90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00010fa0: 6373 5f67 7075 5f75 7469 6c73 202d 2d3e  cs_gpu_utils -->\n+00010fb0: 0a3c 6720 6964 3d22 6564 6765 3130 3922  .<g id=\"edge109\"\n+00010fc0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00010fd0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00010fe0: 5f67 726f 6d61 6373 5f6d 646c 6962 2623  _gromacs_mdlib&#\n+00010ff0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00011000: 635f 6772 6f6d 6163 735f 6770 755f 7574  c_gromacs_gpu_ut\n+00011010: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174  ils</title>.<pat\n+00011020: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00011030: 726f 6b65 3d22 7265 6422 2064 3d22 4d31  roke=\"red\" d=\"M1\n+00011040: 3132 392e 3831 2c2d 3239 332e 3731 4331  129.81,-293.71C1\n+00011050: 3135 372e 382c 2d33 3332 2e37 3420 3132  157.8,-332.74 12\n+00011060: 3339 2e37 382c 2d34 3630 2e30 3820 3131  39.78,-460.08 11\n+00011070: 3836 2c2d 3534 352e 3833 2031 3037 362e  86,-545.83 1076.\n+00011080: 3835 2c2d 3731 392e 3835 2038 3036 2e38  85,-719.85 806.8\n+00011090: 312c 2d37 3636 2e37 3620 3639 362e 3331  1,-766.76 696.31\n+000110a0: 2c2d 3737 382e 3837 222f 3e0a 3c70 6f6c  ,-778.87\"/>.<pol\n+000110b0: 7967 6f6e 2066 696c 6c3d 2272 6564 2220  ygon fill=\"red\" \n+000110c0: 7374 726f 6b65 3d22 7265 6422 2070 6f69  stroke=\"red\" poi\n+000110d0: 6e74 733d 2236 3935 2e37 312c 2d37 3735  nts=\"695.71,-775\n+000110e0: 2e34 3120 3638 362e 3132 2c2d 3737 392e  .41 686.12,-779.\n+000110f0: 3933 2036 3936 2e34 332c 2d37 3832 2e33  93 696.43,-782.3\n+00011100: 3720 3639 352e 3731 2c2d 3737 352e 3431  7 695.71,-775.41\n+00011110: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+00011120: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00011130: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d  _mdlib&#45;&gt;m\n+00011140: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00011150: 735f 7461 626c 6573 202d 2d3e 0a3c 6720  s_tables -->.<g \n+00011160: 6964 3d22 6564 6765 3131 3522 2063 6c61  id=\"edge115\" cla\n+00011170: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+00011180: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+00011190: 6d61 6373 5f6d 646c 6962 2623 3435 3b26  macs_mdlib&#45;&\n+000111a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+000111b0: 6f6d 6163 735f 7461 626c 6573 3c2f 7469  omacs_tables</ti\n+000111c0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+000111d0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+000111e0: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n+000111f0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+00011200: 3d22 4d31 3133 342e 3936 2c2d 3236 382e  =\"M1134.96,-268.\n+00011210: 3839 4331 3135 362e 3131 2c2d 3235 322e  89C1156.11,-252.\n+00011220: 3637 2031 3139 382e 3036 2c2d 3232 322e  67 1198.06,-222.\n+00011230: 3339 2031 3233 382c 2d32 3034 2e36 3120  39 1238,-204.61 \n+00011240: 3132 3834 2e34 2c2d 3138 332e 3936 2031  1284.4,-183.96 1\n+00011250: 3334 312e 3632 2c2d 3137 302e 3320 3133  341.62,-170.3 13\n+00011260: 3738 2e34 352c 2d31 3632 2e39 3122 2f3e  78.45,-162.91\"/>\n+00011270: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00011280: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n+00011290: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n+000112a0: 3d22 3133 3739 2e31 332c 2d31 3636 2e33  =\"1379.13,-166.3\n+000112b0: 3420 3133 3838 2e32 372c 2d31 3630 2e39  4 1388.27,-160.9\n+000112c0: 3820 3133 3737 2e37 392c 2d31 3539 2e34  8 1377.79,-159.4\n+000112d0: 3720 3133 3739 2e31 332c 2d31 3636 2e33  7 1379.13,-166.3\n+000112e0: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  4\"/>.</g>.<!-- m\n+000112f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00011300: 735f 6d64 6c69 6226 2334 353b 2667 743b  s_mdlib&#45;&gt;\n+00011310: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00011320: 6373 5f6d 6472 756e 7574 696c 6974 7920  cs_mdrunutility \n+00011330: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+00011340: 3132 2220 636c 6173 733d 2265 6467 6522  12\" class=\"edge\"\n+00011350: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00011360: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n+00011370: 6226 2334 353b 2667 743b 6d6f 6475 6c65  b&#45;&gt;module\n+00011380: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472  _src_gromacs_mdr\n+00011390: 756e 7574 696c 6974 793c 2f74 6974 6c65  unutility</title\n+000113a0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+000113b0: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n+000113c0: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n+000113d0: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n+000113e0: 3131 3139 2e35 392c 2d32 3637 2e33 3743  1119.59,-267.37C\n+000113f0: 3131 3137 2e36 342c 2d32 3532 2e31 3920  1117.64,-252.19 \n+00011400: 3131 3133 2e34 382c 2d32 3236 2031 3130  1113.48,-226 110\n+00011410: 362c 2d32 3034 2e36 3120 3131 3032 2e37  6,-204.61 1102.7\n+00011420: 372c 2d31 3935 2e33 3720 3130 3938 2e30  7,-195.37 1098.0\n+00011430: 362c 2d31 3835 2e36 3820 3130 3933 2e36  6,-185.68 1093.6\n+00011440: 2c2d 3137 372e 3432 222f 3e0a 3c70 6f6c  ,-177.42\"/>.<pol\n+00011450: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n+00011460: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n+00011470: 6663 6322 2070 6f69 6e74 733d 2231 3039  fcc\" points=\"109\n+00011480: 362e 3533 2c2d 3137 352e 3439 2031 3038  6.53,-175.49 108\n+00011490: 382e 3538 2c2d 3136 382e 3439 2031 3039  8.58,-168.49 109\n+000114a0: 302e 3433 2c2d 3137 382e 3932 2031 3039  0.43,-178.92 109\n+000114b0: 362e 3533 2c2d 3137 352e 3439 222f 3e0a  6.53,-175.49\"/>.\n+000114c0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+000114d0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c  _src_gromacs_mdl\n+000114e0: 6962 2623 3435 3b26 6774 3b6d 6f64 756c  ib&#45;&gt;modul\n+000114f0: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n+00011500: 6d6d 616e 646c 696e 6520 2d2d 3e0a 3c67  mmandline -->.<g\n+00011510: 2069 643d 2265 6467 6531 3130 2220 636c   id=\"edge110\" cl\n+00011520: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00011530: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00011540: 6f6d 6163 735f 6d64 6c69 6226 2334 353b  omacs_mdlib&#45;\n+00011550: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00011560: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69  romacs_commandli\n+00011570: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468  ne</title>.<path\n+00011580: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00011590: 6f6b 653d 2262 6c61 636b 2220 7374 726f  oke=\"black\" stro\n+000115a0: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+000115b0: 3222 2064 3d22 4d31 3132 372e 342c 2d32  2\" d=\"M1127.4,-2\n+000115c0: 3637 2e38 3343 3131 3430 2e30 392c 2d32  67.83C1140.09,-2\n+000115d0: 3431 2e39 3820 3131 3634 2e39 352c 2d31  41.98 1164.95,-1\n+000115e0: 3830 2e35 3420 3131 3337 2c2d 3134 312e  80.54 1137,-141.\n+000115f0: 3734 2031 3131 372e 3834 2c2d 3131 352e  74 1117.84,-115.\n+00011600: 3134 2031 3038 332e 342c 2d31 3032 2e39  14 1083.4,-102.9\n+00011610: 3320 3130 3532 2e39 2c2d 3937 2e34 3222  3 1052.9,-97.42\"\n+00011620: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00011630: 3d22 626c 6163 6b22 2073 7472 6f6b 653d  =\"black\" stroke=\n+00011640: 2262 6c61 636b 2220 706f 696e 7473 3d22  \"black\" points=\"\n+00011650: 3130 3533 2e31 362c 2d39 332e 3932 2031  1053.16,-93.92 1\n+00011660: 3034 322e 3733 2c2d 3935 2e38 2031 3035  042.73,-95.8 105\n+00011670: 322e 3036 2c2d 3130 302e 3833 2031 3035  2.06,-100.83 105\n+00011680: 332e 3136 2c2d 3933 2e39 3222 2f3e 0a3c  3.16,-93.92\"/>.<\n+00011690: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+000116a0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n+000116b0: 6226 2334 353b 2667 743b 6d6f 6475 6c65  b&#45;&gt;module\n+000116c0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6473  _src_gromacs_mds\n+000116d0: 7061 6e20 2d2d 3e0a 3c67 2069 643d 2265  pan -->.<g id=\"e\n+000116e0: 6467 6531 3137 2220 636c 6173 733d 2265  dge117\" class=\"e\n+000116f0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00011700: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00011710: 6d64 6c69 6226 2334 353b 2667 743b 6d6f  mdlib&#45;&gt;mo\n+00011720: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00011730: 5f6d 6473 7061 6e3c 2f74 6974 6c65 3e0a  _mdspan</title>.\n+00011740: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00011750: 2220 7374 726f 6b65 3d22 7265 6422 2064  \" stroke=\"red\" d\n+00011760: 3d22 4d31 3132 382e 3932 2c2d 3236 372e  =\"M1128.92,-267.\n+00011770: 3835 4331 3134 302e 3233 2c2d 3235 312e  85C1140.23,-251.\n+00011780: 3436 2031 3136 322e 352c 2d32 3232 2e31  46 1162.5,-222.1\n+00011790: 3920 3131 3838 2c2d 3230 342e 3631 2031  9 1188,-204.61 1\n+000117a0: 3236 382e 392c 2d31 3438 2e38 3620 3133  268.9,-148.86 13\n+000117b0: 3831 2e34 332c 2d31 3136 2e33 3820 3134  81.43,-116.38 14\n+000117c0: 3430 2e37 342c 2d31 3032 2e30 3822 2f3e  40.74,-102.08\"/>\n+000117d0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+000117e0: 7265 6422 2073 7472 6f6b 653d 2272 6564  red\" stroke=\"red\n+000117f0: 2220 706f 696e 7473 3d22 3134 3431 2e35  \" points=\"1441.5\n+00011800: 352c 2d31 3035 2e34 3920 3134 3530 2e34  5,-105.49 1450.4\n+00011810: 382c 2d39 392e 3738 2031 3433 392e 3934  8,-99.78 1439.94\n+00011820: 2c2d 3938 2e36 3720 3134 3431 2e35 352c  ,-98.67 1441.55,\n+00011830: 2d31 3035 2e34 3922 2f3e 0a3c 2f67 3e0a  -105.49\"/>.</g>.\n+00011840: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00011850: 6772 6f6d 6163 735f 6d64 6c69 6226 2334  gromacs_mdlib&#4\n+00011860: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00011870: 5f67 726f 6d61 6373 5f64 6f6d 6465 6320  _gromacs_domdec \n+00011880: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+00011890: 3131 2220 636c 6173 733d 2265 6467 6522  11\" class=\"edge\"\n+000118a0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+000118b0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n+000118c0: 6226 2334 353b 2667 743b 6d6f 6475 6c65  b&#45;&gt;module\n+000118d0: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d  _src_gromacs_dom\n+000118e0: 6465 633c 2f74 6974 6c65 3e0a 3c70 6174  dec</title>.<pat\n+000118f0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00011900: 726f 6b65 3d22 7265 6422 2064 3d22 4d31  roke=\"red\" d=\"M1\n+00011910: 3039 362e 3931 2c2d 3238 382e 3134 4331  096.91,-288.14C1\n+00011920: 3031 392e 3431 2c2d 3330 372e 3736 2037  019.41,-307.76 7\n+00011930: 3734 2e38 322c 2d33 3735 2e36 3820 3633  74.82,-375.68 63\n+00011940: 342c 2d35 3138 2e39 3620 3632 342e 3333  4,-518.96 624.33\n+00011950: 2c2d 3532 382e 3820 3537 372e 342c 2d36  ,-528.8 577.4,-6\n+00011960: 3030 2e37 3520 3535 302e 3431 2c2d 3633  00.75 550.41,-63\n+00011970: 362e 3734 222f 3e0a 3c70 6f6c 7967 6f6e  6.74\"/>.<polygon\n+00011980: 2066 696c 6c3d 2272 6564 2220 7374 726f   fill=\"red\" stro\n+00011990: 6b65 3d22 7265 6422 2070 6f69 6e74 733d  ke=\"red\" points=\n+000119a0: 2235 3437 2e33 332c 2d36 3335 2035 3434  \"547.33,-635 544\n+000119b0: 2e30 312c 2d36 3435 2e30 3620 3535 322e  .01,-645.06 552.\n+000119c0: 3838 2c2d 3633 392e 3237 2035 3437 2e33  88,-639.27 547.3\n+000119d0: 332c 2d36 3335 222f 3e0a 3c2f 673e 0a3c  3,-635\"/>.</g>.<\n+000119e0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+000119f0: 726f 6d61 6373 5f6d 646c 6962 2623 3435  romacs_mdlib&#45\n+00011a00: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00011a10: 6772 6f6d 6163 735f 7472 616a 6563 746f  gromacs_trajecto\n+00011a20: 7279 202d 2d3e 0a3c 6720 6964 3d22 6564  ry -->.<g id=\"ed\n+00011a30: 6765 3130 3322 2063 6c61 7373 3d22 6564  ge103\" class=\"ed\n+00011a40: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+00011a50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00011a60: 646c 6962 2623 3435 3b26 6774 3b6d 6f64  dlib&#45;&gt;mod\n+00011a70: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00011a80: 7472 616a 6563 746f 7279 3c2f 7469 746c  trajectory</titl\n+00011a90: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+00011aa0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n+00011ab0: 6266 6266 2220 643d 224d 3131 3439 2e33  bfbf\" d=\"M1149.3\n+00011ac0: 322c 2d32 3739 2e31 3243 3132 3436 2e33  2,-279.12C1246.3\n+00011ad0: 342c 2d32 3736 2e31 3820 3135 3734 2e32  4,-276.18 1574.2\n+00011ae0: 362c 2d32 3634 2e32 3720 3138 3433 2c2d  6,-264.27 1843,-\n+00011af0: 3233 312e 3438 2031 3835 312e 3534 2c2d  231.48 1851.54,-\n+00011b00: 3233 302e 3434 2031 3836 302e 3632 2c2d  230.44 1860.62,-\n+00011b10: 3232 392e 3034 2031 3836 392e 3332 2c2d  229.04 1869.32,-\n+00011b20: 3232 372e 3536 222f 3e0a 3c70 6f6c 7967  227.56\"/>.<polyg\n+00011b30: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n+00011b40: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+00011b50: 6622 2070 6f69 6e74 733d 2231 3837 302e  f\" points=\"1870.\n+00011b60: 3035 2c2d 3233 302e 3939 2031 3837 392e  05,-230.99 1879.\n+00011b70: 3239 2c2d 3232 352e 3820 3138 3638 2e38  29,-225.8 1868.8\n+00011b80: 332c 2d32 3234 2e30 3920 3138 3730 2e30  3,-224.09 1870.0\n+00011b90: 352c 2d32 3330 2e39 3922 2f3e 0a3c 2f67  5,-230.99\"/>.</g\n+00011ba0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00011bb0: 635f 6772 6f6d 6163 735f 6d64 6c69 6226  c_gromacs_mdlib&\n+00011bc0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00011bd0: 7263 5f67 726f 6d61 6373 5f61 7070 6c69  rc_gromacs_appli\n+00011be0: 6564 5f66 6f72 6365 735f 6177 6820 2d2d  ed_forces_awh --\n+00011bf0: 3e0a 3c67 2069 643d 2265 6467 6531 3139  >.<g id=\"edge119\n+00011c00: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+00011c10: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+00011c20: 635f 6772 6f6d 6163 735f 6d64 6c69 6226  c_gromacs_mdlib&\n+00011c30: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00011c40: 7263 5f67 726f 6d61 6373 5f61 7070 6c69  rc_gromacs_appli\n+00011c50: 6564 5f66 6f72 6365 735f 6177 683c 2f74  ed_forces_awh</t\n+00011c60: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00011c70: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00011c80: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n+00011c90: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+00011ca0: 643d 224d 3131 3438 2e34 392c 2d32 3834  d=\"M1148.49,-284\n+00011cb0: 2e34 3643 3131 3937 2e35 372c 2d32 3839  .46C1197.57,-289\n+00011cc0: 2e35 3420 3133 3033 2e30 352c 2d33 3032  .54 1303.05,-302\n+00011cd0: 2e38 3920 3133 3838 2c2d 3333 302e 3335  .89 1388,-330.35\n+00011ce0: 2031 3531 312e 3238 2c2d 3337 302e 3231   1511.28,-370.21\n+00011cf0: 2031 3538 312e 3931 2c2d 3334 362e 3439   1581.91,-346.49\n+00011d00: 2031 3635 312c 2d34 3536 2e30 3920 3136   1651,-456.09 16\n+00011d10: 3631 2e30 342c 2d34 3732 2e30 3220 3136  61.04,-472.02 16\n+00011d20: 3536 2e37 372c 2d34 3933 2e35 3920 3136  56.77,-493.59 16\n+00011d30: 3531 2e30 342c 2d35 3039 2e35 3722 2f3e  51.04,-509.57\"/>\n+00011d40: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00011d50: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n+00011d60: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n+00011d70: 3d22 3136 3437 2e36 372c 2d35 3038 2e35  =\"1647.67,-508.5\n+00011d80: 3620 3136 3437 2e31 392c 2d35 3139 2e31  6 1647.19,-519.1\n+00011d90: 3420 3136 3534 2e31 362c 2d35 3131 2e31  4 1654.16,-511.1\n+00011da0: 3720 3136 3437 2e36 372c 2d35 3038 2e35  7 1647.67,-508.5\n+00011db0: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  6\"/>.</g>.<!-- m\n+00011dc0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00011dd0: 735f 6d64 6c69 6226 2334 353b 2667 743b  s_mdlib&#45;&gt;\n+00011de0: 6d6f 6475 6c65 5f73 7263 5f74 6573 7475  module_src_testu\n+00011df0: 7469 6c73 202d 2d3e 0a3c 6720 6964 3d22  tils -->.<g id=\"\n+00011e00: 6564 6765 3132 3122 2063 6c61 7373 3d22  edge121\" class=\"\n+00011e10: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00011e20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00011e30: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d  _mdlib&#45;&gt;m\n+00011e40: 6f64 756c 655f 7372 635f 7465 7374 7574  odule_src_testut\n+00011e50: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174  ils</title>.<pat\n+00011e60: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00011e70: 726f 6b65 3d22 7265 6422 2064 3d22 4d31  roke=\"red\" d=\"M1\n+00011e80: 3134 392e 3236 2c2d 3238 322e 3735 4331  149.26,-282.75C1\n+00011e90: 3335 342e 3031 2c2d 3238 382e 3935 2032  354.01,-288.95 2\n+00011ea0: 3630 322c 2d33 3239 2e38 3620 3236 3032  602,-329.86 2602\n+00011eb0: 2c2d 3430 352e 3636 2032 3630 322c 2d37  ,-405.66 2602,-7\n+00011ec0: 3834 2e38 3820 3236 3032 2c2d 3738 342e  84.88 2602,-784.\n+00011ed0: 3838 2032 3630 322c 2d37 3834 2e38 3820  88 2602,-784.88 \n+00011ee0: 3236 3032 2c2d 3832 302e 3636 2032 3539  2602,-820.66 259\n+00011ef0: 342e 3134 2c2d 3836 312e 3539 2032 3538  4.14,-861.59 258\n+00011f00: 382e 3533 2c2d 3838 362e 3236 222f 3e0a  8.53,-886.26\"/>.\n+00011f10: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272  <polygon fill=\"r\n+00011f20: 6564 2220 7374 726f 6b65 3d22 7265 6422  ed\" stroke=\"red\"\n+00011f30: 2070 6f69 6e74 733d 2232 3538 352e 3131   points=\"2585.11\n+00011f40: 2c2d 3838 352e 3533 2032 3538 362e 3232  ,-885.53 2586.22\n+00011f50: 2c2d 3839 362e 3037 2032 3539 312e 3932  ,-896.07 2591.92\n+00011f60: 2c2d 3838 372e 3133 2032 3538 352e 3131  ,-887.13 2585.11\n+00011f70: 2c2d 3838 352e 3533 222f 3e0a 3c2f 673e  ,-885.53\"/>.</g>\n+00011f80: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00011f90: 5f67 726f 6d61 6373 5f70 6263 7574 696c  _gromacs_pbcutil\n+00011fa0: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465   -->.<g id=\"node\n+00011fb0: 3234 2220 636c 6173 733d 226e 6f64 6522  24\" class=\"node\"\n+00011fc0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00011fd0: 7372 635f 6772 6f6d 6163 735f 7062 6375  src_gromacs_pbcu\n+00011fe0: 7469 6c3c 2f74 6974 6c65 3e0a 3c65 6c6c  til</title>.<ell\n+00011ff0: 6970 7365 2066 696c 6c3d 2223 6266 6266  ipse fill=\"#bfbf\n+00012000: 6266 2220 7374 726f 6b65 3d22 626c 6163  bf\" stroke=\"blac\n+00012010: 6b22 2063 783d 2231 3130 3422 2063 793d  k\" cx=\"1104\" cy=\n+00012020: 222d 3834 362e 3735 2220 7278 3d22 3331  \"-846.75\" rx=\"31\n+00012030: 2e36 3422 2072 793d 2231 332e 3337 222f  .64\" ry=\"13.37\"/\n+00012040: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63  >.<text text-anc\n+00012050: 686f 723d 226d 6964 646c 6522 2078 3d22  hor=\"middle\" x=\"\n+00012060: 3131 3034 2220 793d 222d 3834 342e 3235  1104\" y=\"-844.25\n+00012070: 2220 666f 6e74 2d66 616d 696c 793d 2246  \" font-family=\"F\n+00012080: 7265 6553 616e 7322 2066 6f6e 742d 7369  reeSans\" font-si\n+00012090: 7a65 3d22 3130 2e30 3022 3e70 6263 7574  ze=\"10.00\">pbcut\n+000120a0: 696c 3c2f 7465 7874 3e0a 3c2f 673e 0a3c  il</text>.</g>.<\n+000120b0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+000120c0: 726f 6d61 6373 5f70 6263 7574 696c 2623  romacs_pbcutil&#\n+000120d0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+000120e0: 635f 6772 6f6d 6163 735f 6770 755f 7574  c_gromacs_gpu_ut\n+000120f0: 696c 7320 2d2d 3e0a 3c67 2069 643d 2265  ils -->.<g id=\"e\n+00012100: 6467 6531 3232 2220 636c 6173 733d 2265  dge122\" class=\"e\n+00012110: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00012120: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00012130: 7062 6375 7469 6c26 2334 353b 2667 743b  pbcutil&#45;&gt;\n+00012140: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00012150: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469  cs_gpu_utils</ti\n+00012160: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+00012170: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+00012180: 6266 6266 6266 2220 643d 224d 3130 3734  bfbfbf\" d=\"M1074\n+00012190: 2e30 382c 2d38 3431 2e37 3543 3939 362e  .08,-841.75C996.\n+000121a0: 3236 2c2d 3833 312e 3336 2037 3837 2e30  26,-831.36 787.0\n+000121b0: 392c 2d38 3033 2e34 3420 3639 332e 3839  9,-803.44 693.89\n+000121c0: 2c2d 3739 3122 2f3e 0a3c 706f 6c79 676f  ,-791\"/>.<polygo\n+000121d0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n+000121e0: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+000121f0: 2220 706f 696e 7473 3d22 3639 342e 3239  \" points=\"694.29\n+00012200: 2c2d 3738 372e 3532 2036 3833 2e39 312c  ,-787.52 683.91,\n+00012210: 2d37 3839 2e36 3720 3639 332e 3336 2c2d  -789.67 693.36,-\n+00012220: 3739 342e 3436 2036 3934 2e32 392c 2d37  794.46 694.29,-7\n+00012230: 3837 2e35 3222 2f3e 0a3c 2f67 3e0a 3c21  87.52\"/>.</g>.<!\n+00012240: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00012250: 6f6d 6163 735f 636f 6f72 6469 6e61 7465  omacs_coordinate\n+00012260: 696f 202d 2d3e 0a3c 6720 6964 3d22 6e6f  io -->.<g id=\"no\n+00012270: 6465 3235 2220 636c 6173 733d 226e 6f64  de25\" class=\"nod\n+00012280: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00012290: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n+000122a0: 6f72 6469 6e61 7465 696f 3c2f 7469 746c  ordinateio</titl\n+000122b0: 653e 0a3c 6720 6964 3d22 615f 6e6f 6465  e>.<g id=\"a_node\n+000122c0: 3235 223e 3c61 2078 6c69 6e6b 3a68 7265  25\"><a xlink:hre\n+000122d0: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65  f=\"group__module\n+000122e0: 5f5f 636f 6f72 6469 6e61 7465 696f 2e78  __coordinateio.x\n+000122f0: 6874 6d6c 2220 7461 7267 6574 3d22 5f74  html\" target=\"_t\n+00012300: 6f70 2220 786c 696e 6b3a 7469 746c 653d  op\" xlink:title=\n+00012310: 2263 6f6f 7264 696e 6174 6569 6f22 3e0a  \"coordinateio\">.\n+00012320: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223  <ellipse fill=\"#\n+00012330: 6666 6363 6363 2220 7374 726f 6b65 3d22  ffcccc\" stroke=\"\n+00012340: 626c 6163 6b22 2063 783d 2232 3033 3122  black\" cx=\"2031\"\n+00012350: 2063 793d 222d 3533 322e 3422 2072 783d   cy=\"-532.4\" rx=\n+00012360: 2234 382e 3538 2220 7279 3d22 3133 2e33  \"48.58\" ry=\"13.3\n+00012370: 3722 2f3e 0a3c 7465 7874 2074 6578 742d  7\"/>.<text text-\n+00012380: 616e 6368 6f72 3d22 6d69 6464 6c65 2220  anchor=\"middle\" \n+00012390: 783d 2232 3033 3122 2079 3d22 2d35 3239  x=\"2031\" y=\"-529\n+000123a0: 2e39 2220 666f 6e74 2d66 616d 696c 793d  .9\" font-family=\n+000123b0: 2246 7265 6553 616e 7322 2066 6f6e 742d  \"FreeSans\" font-\n+000123c0: 7369 7a65 3d22 3130 2e30 3022 3e63 6f6f  size=\"10.00\">coo\n+000123d0: 7264 696e 6174 6569 6f3c 2f74 6578 743e  rdinateio</text>\n+000123e0: 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a  .</a>.</g>.</g>.\n+000123f0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00012400: 6772 6f6d 6163 735f 636f 6f72 6469 6e61  gromacs_coordina\n+00012410: 7465 696f 2623 3435 3b26 6774 3b6d 6f64  teio&#45;&gt;mod\n+00012420: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00012430: 6f70 7469 6f6e 7320 2d2d 3e0a 3c67 2069  options -->.<g i\n+00012440: 643d 2265 6467 6531 3233 2220 636c 6173  d=\"edge123\" clas\n+00012450: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+00012460: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00012470: 6163 735f 636f 6f72 6469 6e61 7465 696f  acs_coordinateio\n+00012480: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00012490: 7372 635f 6772 6f6d 6163 735f 6f70 7469  src_gromacs_opti\n+000124a0: 6f6e 733c 2f74 6974 6c65 3e0a 3c70 6174  ons</title>.<pat\n+000124b0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+000124c0: 726f 6b65 3d22 2332 6363 6332 3822 2073  roke=\"#2ccc28\" s\n+000124d0: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n+000124e0: 2235 2c32 2220 643d 224d 3230 3234 2e32  \"5,2\" d=\"M2024.2\n+000124f0: 372c 2d35 3139 2e30 3343 3139 3932 2e34  7,-519.03C1992.4\n+00012500: 382c 2d34 3630 2e36 3820 3138 3538 2e31  8,-460.68 1858.1\n+00012510: 342c 2d32 3135 2e31 3520 3138 3433 2c2d  4,-215.15 1843,-\n+00012520: 3230 342e 3631 2031 3734 362e 3739 2c2d  204.61 1746.79,-\n+00012530: 3133 372e 3631 2039 3031 2c2d 3533 2e36  137.61 901,-53.6\n+00012540: 3120 3639 392e 3831 2c2d 3334 2e34 3522  1 699.81,-34.45\"\n+00012550: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00012560: 3d22 2332 6363 6332 3822 2073 7472 6f6b  =\"#2ccc28\" strok\n+00012570: 653d 2223 3263 6363 3238 2220 706f 696e  e=\"#2ccc28\" poin\n+00012580: 7473 3d22 3639 392e 3933 2c2d 3330 2e39  ts=\"699.93,-30.9\n+00012590: 3420 3638 392e 3634 2c2d 3333 2e34 3820  4 689.64,-33.48 \n+000125a0: 3639 392e 3236 2c2d 3337 2e39 3120 3639  699.26,-37.91 69\n+000125b0: 392e 3933 2c2d 3330 2e39 3422 2f3e 0a3c  9.93,-30.94\"/>.<\n+000125c0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+000125d0: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n+000125e0: 6e75 7469 6c69 7479 2623 3435 3b26 6774  nutility&#45;&gt\n+000125f0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00012600: 6163 735f 676d 786c 6962 202d 2d3e 0a3c  acs_gmxlib -->.<\n+00012610: 6720 6964 3d22 6564 6765 3132 3522 2063  g id=\"edge125\" c\n+00012620: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00012630: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00012640: 726f 6d61 6373 5f6d 6472 756e 7574 696c  romacs_mdrunutil\n+00012650: 6974 7926 2334 353b 2667 743b 6d6f 6475  ity&#45;&gt;modu\n+00012660: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+00012670: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70  mxlib</title>.<p\n+00012680: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00012690: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+000126a0: 2064 3d22 4d31 3039 382e 3138 2c2d 3136   d=\"M1098.18,-16\n+000126b0: 372e 3732 4331 3131 312e 3336 2c2d 3137  7.72C1111.36,-17\n+000126c0: 362e 3937 2031 3132 392e 3637 2c2d 3139  6.97 1129.67,-19\n+000126d0: 302e 3635 2031 3134 342c 2d32 3034 2e36  0.65 1144,-204.6\n+000126e0: 3120 3132 3138 2e32 312c 2d32 3736 2e39  1 1218.21,-276.9\n+000126f0: 3120 3132 3336 2e37 362c 2d32 3939 2e35  1 1236.76,-299.5\n+00012700: 3420 3132 3831 2c2d 3339 332e 3232 2031  4 1281,-393.22 1\n+00012710: 3334 352e 3835 2c2d 3533 302e 3534 2031  345.85,-530.54 1\n+00012720: 3332 392e 3534 2c2d 3538 352e 3638 2031  329.54,-585.68 1\n+00012730: 3239 392c 2d37 3334 2e34 3420 3132 3636  299,-734.44 1266\n+00012740: 2e31 322c 2d38 3934 2e35 3820 3132 3239  .12,-894.58 1229\n+00012750: 2e39 382c 2d39 3339 2e39 3520 3131 3038  .98,-939.95 1108\n+00012760: 2c2d 3130 3438 2e37 3920 3130 3931 2e38  ,-1048.79 1091.8\n+00012770: 352c 2d31 3036 332e 3220 3130 3730 2e37  5,-1063.2 1070.7\n+00012780: 332c 2d31 3037 352e 3236 2031 3035 332e  3,-1075.26 1053.\n+00012790: 3537 2c2d 3130 3833 2e37 3522 2f3e 0a3c  57,-1083.75\"/>.<\n+000127a0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n+000127b0: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n+000127c0: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n+000127d0: 3130 3532 2e30 322c 2d31 3038 302e 3631  1052.02,-1080.61\n+000127e0: 2031 3034 342e 3531 2c2d 3130 3838 2e30   1044.51,-1088.0\n+000127f0: 3820 3130 3535 2e30 342c 2d31 3038 362e  8 1055.04,-1086.\n+00012800: 3932 2031 3035 322e 3032 2c2d 3130 3830  92 1052.02,-1080\n+00012810: 2e36 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .61\"/>.</g>.<!--\n+00012820: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00012830: 6163 735f 6d64 7275 6e75 7469 6c69 7479  acs_mdrunutility\n+00012840: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00012850: 7372 635f 6772 6f6d 6163 735f 6861 7264  src_gromacs_hard\n+00012860: 7761 7265 202d 2d3e 0a3c 6720 6964 3d22  ware -->.<g id=\"\n+00012870: 6564 6765 3132 3922 2063 6c61 7373 3d22  edge129\" class=\"\n+00012880: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00012890: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000128a0: 5f6d 6472 756e 7574 696c 6974 7926 2334  _mdrunutility&#4\n+000128b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+000128c0: 5f67 726f 6d61 6373 5f68 6172 6477 6172  _gromacs_hardwar\n+000128d0: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820  e</title>.<path \n+000128e0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+000128f0: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n+00012900: 4d31 3034 302e 342c 2d31 3632 2e32 3343  M1040.4,-162.23C\n+00012910: 3130 3233 2e36 2c2d 3136 342e 3535 2031  1023.6,-164.55 1\n+00012920: 3030 332e 3839 2c2d 3136 372e 3031 2039  003.89,-167.01 9\n+00012930: 3836 2c2d 3136 382e 3631 2039 3033 2e34  86,-168.61 903.4\n+00012940: 362c 2d31 3735 2e39 3920 3331 332e 3938  6,-175.99 313.98\n+00012950: 2c2d 3136 352e 3334 2032 3431 2c2d 3230  ,-165.34 241,-20\n+00012960: 342e 3631 2031 3332 2e36 312c 2d32 3632  4.61 132.61,-262\n+00012970: 2e39 3420 3135 372c 2d33 3435 2e34 3320  .94 157,-345.43 \n+00012980: 3135 372c 2d34 3638 2e35 3320 3135 372c  157,-468.53 157,\n+00012990: 2d35 3333 2e34 2031 3537 2c2d 3533 332e  -533.4 157,-533.\n+000129a0: 3420 3135 372c 2d35 3333 2e34 2031 3537  4 157,-533.4 157\n+000129b0: 2c2d 3630 342e 3339 2032 3832 2e31 392c  ,-604.39 282.19,\n+000129c0: 2d37 3532 2e32 2033 3337 2c2d 3739 372e  -752.2 337,-797.\n+000129d0: 3331 2033 3538 2e33 342c 2d38 3134 2e38  31 358.34,-814.8\n+000129e0: 3720 3338 372e 3031 2c2d 3832 372e 3036  7 387.01,-827.06\n+000129f0: 2034 3130 2e31 332c 2d38 3334 2e38 3222   410.13,-834.82\"\n+00012a00: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00012a10: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n+00012a20: 653d 2223 6266 6266 6266 2220 706f 696e  e=\"#bfbfbf\" poin\n+00012a30: 7473 3d22 3430 392e 3037 2c2d 3833 382e  ts=\"409.07,-838.\n+00012a40: 3136 2034 3139 2e36 362c 2d38 3337 2e38  16 419.66,-837.8\n+00012a50: 3820 3431 312e 322c 2d38 3331 2e34 3920  8 411.2,-831.49 \n+00012a60: 3430 392e 3037 2c2d 3833 382e 3136 222f  409.07,-838.16\"/\n+00012a70: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00012a80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00012a90: 6472 756e 7574 696c 6974 7926 2334 353b  drunutility&#45;\n+00012aa0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00012ab0: 726f 6d61 6373 5f6d 6474 7970 6573 202d  romacs_mdtypes -\n+00012ac0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3132  ->.<g id=\"edge12\n+00012ad0: 3622 2063 6c61 7373 3d22 6564 6765 223e  6\" class=\"edge\">\n+00012ae0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00012af0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n+00012b00: 7574 696c 6974 7926 2334 353b 2667 743b  utility&#45;&gt;\n+00012b10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00012b20: 6373 5f6d 6474 7970 6573 3c2f 7469 746c  cs_mdtypes</titl\n+00012b30: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+00012b40: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n+00012b50: 6266 6266 2220 643d 224d 3131 3237 2e31  bfbf\" d=\"M1127.1\n+00012b60: 322c 2d31 3538 2e32 3643 3133 3037 2e37  2,-158.26C1307.7\n+00012b70: 342c 2d31 3636 2e34 3920 3139 3538 2e30  4,-166.49 1958.0\n+00012b80: 372c 2d31 3936 2e35 3920 3139 3738 2c2d  7,-196.59 1978,-\n+00012b90: 3230 342e 3631 2032 3035 372e 3435 2c2d  204.61 2057.45,-\n+00012ba0: 3233 362e 3537 2032 3038 382e 3331 2c2d  236.57 2088.31,-\n+00012bb0: 3235 322e 3531 2032 3132 342c 2d33 3330  252.51 2124,-330\n+00012bc0: 2e33 3520 3231 3836 2e38 342c 2d34 3637  .35 2186.84,-467\n+00012bd0: 2e34 3120 3139 3631 2e39 342c 2d34 3239  .41 1961.94,-429\n+00012be0: 2e33 3820 3138 3231 2c2d 3438 322e 3936  .38 1821,-482.96\n+00012bf0: 2031 3737 352e 3238 2c2d 3530 302e 3334   1775.28,-500.34\n+00012c00: 2031 3734 352e 3337 2c2d 3437 392e 3132   1745.37,-479.12\n+00012c10: 2031 3731 372c 2d35 3138 2e39 3620 3136   1717,-518.96 16\n+00012c20: 3938 2e37 372c 2d35 3434 2e35 3620 3137  98.77,-544.56 17\n+00012c30: 3437 2c2d 3632 352e 3731 2031 3734 372c  47,-625.71 1747,\n+00012c40: 2d36 3537 2e31 3420 3137 3437 2c2d 3834  -657.14 1747,-84\n+00012c50: 372e 3735 2031 3734 372c 2d38 3437 2e37  7.75 1747,-847.7\n+00012c60: 3520 3137 3437 2c2d 3834 372e 3735 2031  5 1747,-847.75 1\n+00012c70: 3734 372c 2d39 3139 2e36 3120 3137 3231  747,-919.61 1721\n+00012c80: 2e36 322c 2d39 3434 2e33 3420 3136 3633  .62,-944.34 1663\n+00012c90: 2c2d 3938 352e 3932 2031 3630 392e 3639  ,-985.92 1609.69\n+00012ca0: 2c2d 3130 3233 2e37 3320 3135 3332 2e38  ,-1023.73 1532.8\n+00012cb0: 392c 2d31 3033 332e 3131 2031 3438 332e  9,-1033.11 1483.\n+00012cc0: 3437 2c2d 3130 3334 2e38 3922 2f3e 0a3c  47,-1034.89\"/>.<\n+00012cd0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n+00012ce0: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n+00012cf0: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n+00012d00: 3134 3833 2e32 362c 2d31 3033 312e 3339  1483.26,-1031.39\n+00012d10: 2031 3437 332e 3335 2c2d 3130 3335 2e31   1473.35,-1035.1\n+00012d20: 3620 3134 3833 2e34 342c 2d31 3033 382e  6 1483.44,-1038.\n+00012d30: 3339 2031 3438 332e 3236 2c2d 3130 3331  39 1483.26,-1031\n+00012d40: 2e33 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .39\"/>.</g>.<!--\n+00012d50: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00012d60: 6163 735f 6d64 7275 6e75 7469 6c69 7479  acs_mdrunutility\n+00012d70: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00012d80: 7372 635f 6772 6f6d 6163 735f 6669 6c65  src_gromacs_file\n+00012d90: 696f 202d 2d3e 0a3c 6720 6964 3d22 6564  io -->.<g id=\"ed\n+00012da0: 6765 3132 3422 2063 6c61 7373 3d22 6564  ge124\" class=\"ed\n+00012db0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+00012dc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00012dd0: 6472 756e 7574 696c 6974 7926 2334 353b  drunutility&#45;\n+00012de0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00012df0: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74  romacs_fileio</t\n+00012e00: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00012e10: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00012e20: 2362 6662 6662 6622 2064 3d22 4d31 3132  #bfbfbf\" d=\"M112\n+00012e30: 372e 372c 2d31 3538 2e30 3443 3132 3531  7.7,-158.04C1251\n+00012e40: 2e38 312c 2d31 3634 2e32 3320 3135 3834  .81,-164.23 1584\n+00012e50: 2e33 362c 2d31 3838 2e34 2031 3635 322c  .36,-188.4 1652,\n+00012e60: 2d32 3637 2e34 3820 3136 3936 2e30 392c  -267.48 1696.09,\n+00012e70: 2d33 3139 2e30 3420 3136 3830 2e31 2c2d  -319.04 1680.1,-\n+00012e80: 3335 372e 3036 2031 3635 352c 2d34 3230  357.06 1655,-420\n+00012e90: 2e30 3920 3136 3530 2e36 392c 2d34 3330  .09 1650.69,-430\n+00012ea0: 2e39 3120 3136 3433 2e38 372c 2d34 3431  .91 1643.87,-441\n+00012eb0: 2e39 3420 3136 3336 2e38 372c 2d34 3530  .94 1636.87,-450\n+00012ec0: 2e37 3222 2f3e 0a3c 706f 6c79 676f 6e20  .72\"/>.<polygon \n+00012ed0: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n+00012ee0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+00012ef0: 706f 696e 7473 3d22 3136 3334 2e31 312c  points=\"1634.11,\n+00012f00: 2d34 3438 2e35 3520 3136 3330 2e31 372c  -448.55 1630.17,\n+00012f10: 2d34 3538 2e33 3920 3136 3339 2e33 392c  -458.39 1639.39,\n+00012f20: 2d34 3533 2e31 3620 3136 3334 2e31 312c  -453.16 1634.11,\n+00012f30: 2d34 3438 2e35 3522 2f3e 0a3c 2f67 3e0a  -448.55\"/>.</g>.\n+00012f40: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00012f50: 6772 6f6d 6163 735f 6d64 7275 6e75 7469  gromacs_mdrunuti\n+00012f60: 6c69 7479 2623 3435 3b26 6774 3b6d 6f64  lity&#45;&gt;mod\n+00012f70: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00012f80: 636f 6d6d 616e 646c 696e 6520 2d2d 3e0a  commandline -->.\n+00012f90: 3c67 2069 643d 2265 6467 6531 3238 2220  <g id=\"edge128\" \n+00012fa0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+00012fb0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00012fc0: 6772 6f6d 6163 735f 6d64 7275 6e75 7469  gromacs_mdrunuti\n+00012fd0: 6c69 7479 2623 3435 3b26 6774 3b6d 6f64  lity&#45;&gt;mod\n+00012fe0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00012ff0: 636f 6d6d 616e 646c 696e 653c 2f74 6974  commandline</tit\n+00013000: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00013010: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c  none\" stroke=\"bl\n+00013020: 6163 6b22 2073 7472 6f6b 652d 6461 7368  ack\" stroke-dash\n+00013030: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n+00013040: 3130 3633 2e38 342c 2d31 3432 2e34 3443  1063.84,-142.44C\n+00013050: 3130 3530 2e36 372c 2d31 3333 2e34 3320  1050.67,-133.43 \n+00013060: 3130 3332 2e32 372c 2d31 3230 2e38 3520  1032.27,-120.85 \n+00013070: 3130 3137 2e33 392c 2d31 3130 2e36 3722  1017.39,-110.67\"\n+00013080: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00013090: 3d22 626c 6163 6b22 2073 7472 6f6b 653d  =\"black\" stroke=\n+000130a0: 2262 6c61 636b 2220 706f 696e 7473 3d22  \"black\" points=\"\n+000130b0: 3130 3139 2e33 342c 2d31 3037 2e37 3620  1019.34,-107.76 \n+000130c0: 3130 3039 2e31 312c 2d31 3035 2e30 3120  1009.11,-105.01 \n+000130d0: 3130 3135 2e33 392c 2d31 3133 2e35 3420  1015.39,-113.54 \n+000130e0: 3130 3139 2e33 342c 2d31 3037 2e37 3622  1019.34,-107.76\"\n+000130f0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00013100: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00013110: 6d64 7275 6e75 7469 6c69 7479 2623 3435  mdrunutility&#45\n+00013120: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00013130: 6772 6f6d 6163 735f 6d64 7275 6e20 2d2d  gromacs_mdrun --\n+00013140: 3e0a 3c67 2069 643d 2265 6467 6531 3237  >.<g id=\"edge127\n+00013150: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+00013160: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+00013170: 635f 6772 6f6d 6163 735f 6d64 7275 6e75  c_gromacs_mdrunu\n+00013180: 7469 6c69 7479 2623 3435 3b26 6774 3b6d  tility&#45;&gt;m\n+00013190: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000131a0: 735f 6d64 7275 6e3c 2f74 6974 6c65 3e0a  s_mdrun</title>.\n+000131b0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+000131c0: 2220 7374 726f 6b65 3d22 7265 6422 2064  \" stroke=\"red\" d\n+000131d0: 3d22 4d31 3038 332e 3133 2c2d 3136 382e  =\"M1083.13,-168.\n+000131e0: 3639 4331 3038 322e 3531 2c2d 3230 372e  69C1082.51,-207.\n+000131f0: 3333 2031 3036 322e 3535 2c2d 3332 372e  33 1062.55,-327.\n+00013200: 3638 2031 3032 342c 2d34 3230 2e30 3920  68 1024,-420.09 \n+00013210: 3130 3034 2e32 312c 2d34 3637 2e35 3320  1004.21,-467.53 \n+00013220: 3938 342e 3732 2c2d 3437 312e 3932 2039  984.72,-471.92 9\n+00013230: 3634 2c2d 3531 382e 3936 2039 3536 2e33  64,-518.96 956.3\n+00013240: 332c 2d35 3336 2e33 3820 3935 302e 3438  3,-536.38 950.48\n+00013250: 2c2d 3535 372e 3232 2039 3435 2e32 382c  ,-557.22 945.28,\n+00013260: 2d35 3732 2e35 3622 2f3e 0a3c 706f 6c79  -572.56\"/>.<poly\n+00013270: 676f 6e20 6669 6c6c 3d22 7265 6422 2073  gon fill=\"red\" s\n+00013280: 7472 6f6b 653d 2272 6564 2220 706f 696e  troke=\"red\" poin\n+00013290: 7473 3d22 3934 312e 3931 2c2d 3537 312e  ts=\"941.91,-571.\n+000132a0: 3539 2039 3431 2e37 372c 2d35 3832 2e31  59 941.77,-582.1\n+000132b0: 3920 3934 382e 3438 2c2d 3537 332e 3939  9 948.48,-573.99\n+000132c0: 2039 3431 2e39 312c 2d35 3731 2e35 3922   941.91,-571.59\"\n+000132d0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+000132e0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000132f0: 6c69 6e65 6172 616c 6765 6272 6120 2d2d  linearalgebra --\n+00013300: 3e0a 3c67 2069 643d 226e 6f64 6532 3722  >.<g id=\"node27\"\n+00013310: 2063 6c61 7373 3d22 6e6f 6465 223e 0a3c   class=\"node\">.<\n+00013320: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00013330: 5f67 726f 6d61 6373 5f6c 696e 6561 7261  _gromacs_lineara\n+00013340: 6c67 6562 7261 3c2f 7469 746c 653e 0a3c  lgebra</title>.<\n+00013350: 656c 6c69 7073 6520 6669 6c6c 3d22 2362  ellipse fill=\"#b\n+00013360: 6662 6662 6622 2073 7472 6f6b 653d 2262  fbfbf\" stroke=\"b\n+00013370: 6c61 636b 2220 6378 3d22 3135 3738 2220  lack\" cx=\"1578\" \n+00013380: 6379 3d22 2d31 3238 362e 3834 2220 7278  cy=\"-1286.84\" rx\n+00013390: 3d22 3530 2e34 3122 2072 793d 2231 332e  =\"50.41\" ry=\"13.\n+000133a0: 3337 222f 3e0a 3c74 6578 7420 7465 7874  37\"/>.<text text\n+000133b0: 2d61 6e63 686f 723d 226d 6964 646c 6522  -anchor=\"middle\"\n+000133c0: 2078 3d22 3135 3738 2220 793d 222d 3132   x=\"1578\" y=\"-12\n+000133d0: 3834 2e33 3422 2066 6f6e 742d 6661 6d69  84.34\" font-fami\n+000133e0: 6c79 3d22 4672 6565 5361 6e73 2220 666f  ly=\"FreeSans\" fo\n+000133f0: 6e74 2d73 697a 653d 2231 302e 3030 223e  nt-size=\"10.00\">\n+00013400: 6c69 6e65 6172 616c 6765 6272 613c 2f74  linearalgebra</t\n+00013410: 6578 743e 0a3c 2f67 3e0a 3c21 2d2d 206d  ext>.</g>.<!-- m\n+00013420: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00013430: 735f 7075 6c6c 696e 6726 2334 353b 2667  s_pulling&#45;&g\n+00013440: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00013450: 6d61 6373 5f67 6d78 6c69 6220 2d2d 3e0a  macs_gmxlib -->.\n+00013460: 3c67 2069 643d 2265 6467 6531 3333 2220  <g id=\"edge133\" \n+00013470: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+00013480: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00013490: 6772 6f6d 6163 735f 7075 6c6c 696e 6726  gromacs_pulling&\n+000134a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+000134b0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69  rc_gromacs_gmxli\n+000134c0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n+000134d0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+000134e0: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n+000134f0: 4d31 3131 362e 3136 2c2d 3335 332e 3831  M1116.16,-353.81\n+00013500: 4331 3136 382e 3938 2c2d 3337 372e 3838  C1168.98,-377.88\n+00013510: 2031 3330 312e 3236 2c2d 3434 382e 3439   1301.26,-448.49\n+00013520: 2031 3238 352c 2d35 3435 2e38 3320 3132   1285,-545.83 12\n+00013530: 3530 2e35 322c 2d37 3532 2e33 3320 3132  50.52,-752.33 12\n+00013540: 3139 2e34 392c 2d38 3033 2e33 3620 3131  19.49,-803.36 11\n+00013550: 3137 2c2d 3938 352e 3932 2031 3130 302e  17,-985.92 1100.\n+00013560: 3637 2c2d 3130 3135 2e30 3120 3130 3937  67,-1015.01 1097\n+00013570: 2e36 2c2d 3130 3233 2e33 3720 3130 3736  .6,-1023.37 1076\n+00013580: 2c2d 3130 3438 2e37 3920 3130 3636 2e35  ,-1048.79 1066.5\n+00013590: 382c 2d31 3035 392e 3839 2031 3035 342e  8,-1059.89 1054.\n+000135a0: 3732 2c2d 3130 3730 2e39 3420 3130 3434  72,-1070.94 1044\n+000135b0: 2e36 312c 2d31 3037 392e 3638 222f 3e0a  .61,-1079.68\"/>.\n+000135c0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+000135d0: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n+000135e0: 2362 6662 6662 6622 2070 6f69 6e74 733d  #bfbfbf\" points=\n+000135f0: 2231 3034 322e 3334 2c2d 3130 3737 2e30  \"1042.34,-1077.0\n+00013600: 3220 3130 3336 2e39 362c 2d31 3038 362e  2 1036.96,-1086.\n+00013610: 3135 2031 3034 362e 3836 2c2d 3130 3832  15 1046.86,-1082\n+00013620: 2e33 3620 3130 3432 2e33 342c 2d31 3037  .36 1042.34,-107\n+00013630: 372e 3032 222f 3e0a 3c2f 673e 0a3c 212d  7.02\"/>.</g>.<!-\n+00013640: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+00013650: 6d61 6373 5f70 756c 6c69 6e67 2623 3435  macs_pulling&#45\n+00013660: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00013670: 6772 6f6d 6163 735f 6d64 7479 7065 7320  gromacs_mdtypes \n+00013680: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+00013690: 3336 2220 636c 6173 733d 2265 6467 6522  36\" class=\"edge\"\n+000136a0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+000136b0: 7372 635f 6772 6f6d 6163 735f 7075 6c6c  src_gromacs_pull\n+000136c0: 696e 6726 2334 353b 2667 743b 6d6f 6475  ing&#45;&gt;modu\n+000136d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+000136e0: 6474 7970 6573 3c2f 7469 746c 653e 0a3c  dtypes</title>.<\n+000136f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00013700: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+00013710: 2220 643d 224d 3131 3236 2e31 362c 2d33  \" d=\"M1126.16,-3\n+00013720: 3435 2e31 3143 3131 3932 2e32 342c 2d33  45.11C1192.24,-3\n+00013730: 3437 2e36 3520 3133 3436 2e34 322c 2d33  47.65 1346.42,-3\n+00013740: 3633 2e37 3320 3134 3230 2c2d 3435 362e  63.73 1420,-456.\n+00013750: 3039 2031 3434 312e 3236 2c2d 3438 322e  09 1441.26,-482.\n+00013760: 3738 2031 3433 352c 2d34 3937 2e32 3720  78 1435,-497.27 \n+00013770: 3134 3335 2c2d 3533 312e 3420 3134 3335  1435,-531.4 1435\n+00013780: 2c2d 3931 302e 3632 2031 3433 352c 2d39  ,-910.62 1435,-9\n+00013790: 3130 2e36 3220 3134 3335 2c2d 3931 302e  10.62 1435,-910.\n+000137a0: 3632 2031 3433 352c 2d39 3435 2e38 3320  62 1435,-945.83 \n+000137b0: 3134 3335 2c2d 3938 362e 3637 2031 3433  1435,-986.67 143\n+000137c0: 352c 2d31 3031 312e 3522 2f3e 0a3c 706f  5,-1011.5\"/>.<po\n+000137d0: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n+000137e0: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n+000137f0: 6266 6266 2220 706f 696e 7473 3d22 3134  bfbf\" points=\"14\n+00013800: 3331 2e35 2c2d 3130 3131 2e37 3120 3134  31.5,-1011.71 14\n+00013810: 3335 2c2d 3130 3231 2e37 3120 3134 3338  35,-1021.71 1438\n+00013820: 2e35 2c2d 3130 3131 2e37 3120 3134 3331  .5,-1011.71 1431\n+00013830: 2e35 2c2d 3130 3131 2e37 3122 2f3e 0a3c  .5,-1011.71\"/>.<\n+00013840: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00013850: 7372 635f 6772 6f6d 6163 735f 7075 6c6c  src_gromacs_pull\n+00013860: 696e 6726 2334 353b 2667 743b 6d6f 6475  ing&#45;&gt;modu\n+00013870: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66  le_src_gromacs_f\n+00013880: 696c 6569 6f20 2d2d 3e0a 3c67 2069 643d  ileio -->.<g id=\n+00013890: 2265 6467 6531 3332 2220 636c 6173 733d  \"edge132\" class=\n+000138a0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+000138b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000138c0: 735f 7075 6c6c 696e 6726 2334 353b 2667  s_pulling&#45;&g\n+000138d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+000138e0: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974  macs_fileio</tit\n+000138f0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00013900: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n+00013910: 6662 6662 6622 2064 3d22 4d31 3132 332e  fbfbf\" d=\"M1123.\n+00013920: 3438 2c2d 3334 392e 3334 4331 3137 302e  48,-349.34C1170.\n+00013930: 3738 2c2d 3335 372e 3120 3132 3638 2e34  78,-357.1 1268.4\n+00013940: 342c 2d33 3733 2e39 3320 3133 3530 2c2d  4,-373.93 1350,-\n+00013950: 3339 332e 3232 2031 3433 342e 3935 2c2d  393.22 1434.95,-\n+00013960: 3431 332e 3332 2031 3533 332e 3437 2c2d  413.32 1533.47,-\n+00013970: 3434 332e 3034 2031 3538 332e 3033 2c2d  443.04 1583.03,-\n+00013980: 3435 382e 3434 222f 3e0a 3c70 6f6c 7967  458.44\"/>.<polyg\n+00013990: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n+000139a0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+000139b0: 6622 2070 6f69 6e74 733d 2231 3538 322e  f\" points=\"1582.\n+000139c0: 3235 2c2d 3436 312e 3836 2031 3539 322e  25,-461.86 1592.\n+000139d0: 3834 2c2d 3436 312e 3520 3135 3834 2e33  84,-461.5 1584.3\n+000139e0: 342c 2d34 3535 2e31 3820 3135 3832 2e32  4,-455.18 1582.2\n+000139f0: 352c 2d34 3631 2e38 3622 2f3e 0a3c 2f67  5,-461.86\"/>.</g\n+00013a00: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00013a10: 635f 6772 6f6d 6163 735f 7075 6c6c 696e  c_gromacs_pullin\n+00013a20: 6726 2334 353b 2667 743b 6d6f 6475 6c65  g&#45;&gt;module\n+00013a30: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c  _src_gromacs_mdl\n+00013a40: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564  ib -->.<g id=\"ed\n+00013a50: 6765 3133 3422 2063 6c61 7373 3d22 6564  ge134\" class=\"ed\n+00013a60: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+00013a70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70  le_src_gromacs_p\n+00013a80: 756c 6c69 6e67 2623 3435 3b26 6774 3b6d  ulling&#45;&gt;m\n+00013a90: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00013aa0: 735f 6d64 6c69 623c 2f74 6974 6c65 3e0a  s_mdlib</title>.\n+00013ab0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00013ac0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+00013ad0: 6622 2064 3d22 4d31 3130 302e 3236 2c2d  f\" d=\"M1100.26,-\n+00013ae0: 3333 302e 3437 4331 3130 332e 3537 2c2d  330.47C1103.57,-\n+00013af0: 3332 322e 3731 2031 3130 372e 3934 2c2d  322.71 1107.94,-\n+00013b00: 3331 322e 3439 2031 3131 312e 3831 2c2d  312.49 1111.81,-\n+00013b10: 3330 332e 3432 222f 3e0a 3c70 6f6c 7967  303.42\"/>.<polyg\n+00013b20: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n+00013b30: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+00013b40: 6622 2070 6f69 6e74 733d 2231 3131 352e  f\" points=\"1115.\n+00013b50: 3034 2c2d 3330 342e 3739 2031 3131 352e  04,-304.79 1115.\n+00013b60: 3735 2c2d 3239 342e 3231 2031 3130 382e  75,-294.21 1108.\n+00013b70: 362c 2d33 3032 2e30 3420 3131 3135 2e30  6,-302.04 1115.0\n+00013b80: 342c 2d33 3034 2e37 3922 2f3e 0a3c 2f67  4,-304.79\"/>.</g\n+00013b90: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00013ba0: 635f 6772 6f6d 6163 735f 7075 6c6c 696e  c_gromacs_pullin\n+00013bb0: 6726 2334 353b 2667 743b 6d6f 6475 6c65  g&#45;&gt;module\n+00013bc0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472  _src_gromacs_mdr\n+00013bd0: 756e 7574 696c 6974 7920 2d2d 3e0a 3c67  unutility -->.<g\n+00013be0: 2069 643d 2265 6467 6531 3335 2220 636c   id=\"edge135\" cl\n+00013bf0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00013c00: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00013c10: 6f6d 6163 735f 7075 6c6c 696e 6726 2334  omacs_pulling&#4\n+00013c20: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00013c30: 5f67 726f 6d61 6373 5f6d 6472 756e 7574  _gromacs_mdrunut\n+00013c40: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70  ility</title>.<p\n+00013c50: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00013c60: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00013c70: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n+00013c80: 793d 2235 2c32 2220 643d 224d 3130 3931  y=\"5,2\" d=\"M1091\n+00013c90: 2e33 322c 2d33 3330 2e31 3743 3130 3838  .32,-330.17C1088\n+00013ca0: 2e36 392c 2d33 3230 2e34 3720 3130 3835  .69,-320.47 1085\n+00013cb0: 2e33 382c 2d33 3036 2e36 3920 3130 3834  .38,-306.69 1084\n+00013cc0: 2c2d 3239 342e 3335 2031 3038 322e 3637  ,-294.35 1082.67\n+00013cd0: 2c2d 3238 322e 3438 2031 3038 332e 3637  ,-282.48 1083.67\n+00013ce0: 2c2d 3237 392e 3432 2031 3038 342c 2d32  ,-279.42 1084,-2\n+00013cf0: 3637 2e34 3820 3130 3834 2e37 382c 2d32  67.48 1084.78,-2\n+00013d00: 3339 2e35 3320 3130 3837 2e34 342c 2d32  39.53 1087.44,-2\n+00013d10: 3332 2e35 3320 3130 3836 2c2d 3230 342e  32.53 1086,-204.\n+00013d20: 3631 2031 3038 352e 3537 2c2d 3139 362e  61 1085.57,-196.\n+00013d30: 3235 2031 3038 342e 3732 2c2d 3138 372e  25 1084.72,-187.\n+00013d40: 3132 2031 3038 332e 3835 2c2d 3137 392e  12 1083.85,-179.\n+00013d50: 3035 222f 3e0a 3c70 6f6c 7967 6f6e 2066  05\"/>.<polygon f\n+00013d60: 696c 6c3d 2223 3238 3266 6363 2220 7374  ill=\"#282fcc\" st\n+00013d70: 726f 6b65 3d22 2332 3832 6663 6322 2070  roke=\"#282fcc\" p\n+00013d80: 6f69 6e74 733d 2231 3038 372e 332c 2d31  oints=\"1087.3,-1\n+00013d90: 3738 2e34 3320 3130 3832 2e36 372c 2d31  78.43 1082.67,-1\n+00013da0: 3638 2e38 3920 3130 3830 2e33 352c 2d31  68.89 1080.35,-1\n+00013db0: 3739 2e32 3320 3130 3837 2e33 2c2d 3137  79.23 1087.3,-17\n+00013dc0: 382e 3433 222f 3e0a 3c2f 673e 0a3c 212d  8.43\"/>.</g>.<!-\n+00013dd0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+00013de0: 6d61 6373 5f70 756c 6c69 6e67 2623 3435  macs_pulling&#45\n+00013df0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00013e00: 6772 6f6d 6163 735f 636f 6d6d 616e 646c  gromacs_commandl\n+00013e10: 696e 6520 2d2d 3e0a 3c67 2069 643d 2265  ine -->.<g id=\"e\n+00013e20: 6467 6531 3330 2220 636c 6173 733d 2265  dge130\" class=\"e\n+00013e30: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00013e40: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00013e50: 7075 6c6c 696e 6726 2334 353b 2667 743b  pulling&#45;&gt;\n+00013e60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00013e70: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f  cs_commandline</\n+00013e80: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00013e90: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00013ea0: 2262 6c61 636b 2220 7374 726f 6b65 2d64  \"black\" stroke-d\n+00013eb0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+00013ec0: 3d22 4d31 3037 322e 3032 2c2d 3333 342e  =\"M1072.02,-334.\n+00013ed0: 3635 4331 3032 302e 332c 2d33 3135 2e38  65C1020.3,-315.8\n+00013ee0: 3420 3839 372e 3533 2c2d 3236 382e 3133  4 897.53,-268.13\n+00013ef0: 2038 3735 2c2d 3233 312e 3438 2038 3536   875,-231.48 856\n+00013f00: 2e31 362c 2d32 3030 2e38 3320 3930 352e  .16,-200.83 905.\n+00013f10: 3632 2c2d 3134 332e 3139 2039 3037 2c2d  62,-143.19 907,-\n+00013f20: 3134 312e 3734 2039 3230 2e35 322c 2d31  141.74 920.52,-1\n+00013f30: 3237 2e35 3620 3933 392e 3132 2c2d 3131  27.56 939.12,-11\n+00013f40: 362e 3333 2039 3535 2e34 372c 2d31 3038  6.33 955.47,-108\n+00013f50: 2e32 3622 2f3e 0a3c 706f 6c79 676f 6e20  .26\"/>.<polygon \n+00013f60: 6669 6c6c 3d22 626c 6163 6b22 2073 7472  fill=\"black\" str\n+00013f70: 6f6b 653d 2262 6c61 636b 2220 706f 696e  oke=\"black\" poin\n+00013f80: 7473 3d22 3935 372e 3232 2c2d 3131 312e  ts=\"957.22,-111.\n+00013f90: 3320 3936 342e 3738 2c2d 3130 332e 3838  3 964.78,-103.88\n+00013fa0: 2039 3534 2e32 342c 2d31 3034 2e39 3720   954.24,-104.97 \n+00013fb0: 3935 372e 3232 2c2d 3131 312e 3322 2f3e  957.22,-111.3\"/>\n+00013fc0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+00013fd0: 655f 7372 635f 6772 6f6d 6163 735f 7075  e_src_gromacs_pu\n+00013fe0: 6c6c 696e 6726 2334 353b 2667 743b 6d6f  lling&#45;&gt;mo\n+00013ff0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00014000: 5f64 6f6d 6465 6320 2d2d 3e0a 3c67 2069  _domdec -->.<g i\n+00014010: 643d 2265 6467 6531 3331 2220 636c 6173  d=\"edge131\" clas\n+00014020: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+00014030: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00014040: 6163 735f 7075 6c6c 696e 6726 2334 353b  acs_pulling&#45;\n+00014050: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00014060: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74  romacs_domdec</t\n+00014070: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00014080: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00014090: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n+000140a0: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+000140b0: 643d 224d 3130 3635 2e31 322c 2d33 3437  d=\"M1065.12,-347\n+000140c0: 2e35 3943 3938 322e 362c 2d33 3536 2e38  .59C982.6,-356.8\n+000140d0: 3320 3734 382e 3636 2c2d 3339 332e 3333  3 748.66,-393.33\n+000140e0: 2036 3132 2c2d 3531 382e 3936 2035 3735   612,-518.96 575\n+000140f0: 2e38 362c 2d35 3532 2e31 3920 3535 312e  .86,-552.19 551.\n+00014100: 3433 2c2d 3630 352e 3538 2035 3339 2e38  43,-605.58 539.8\n+00014110: 312c 2d36 3335 2e33 3322 2f3e 0a3c 706f  1,-635.33\"/>.<po\n+00014120: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n+00014130: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n+00014140: 3266 6363 2220 706f 696e 7473 3d22 3533  2fcc\" points=\"53\n+00014150: 362e 352c 2d36 3334 2e32 2035 3336 2e32  6.5,-634.2 536.2\n+00014160: 342c 2d36 3434 2e37 3920 3534 332e 3034  4,-644.79 543.04\n+00014170: 2c2d 3633 362e 3637 2035 3336 2e35 2c2d  ,-636.67 536.5,-\n+00014180: 3633 342e 3222 2f3e 0a3c 2f67 3e0a 3c21  634.2\"/>.</g>.<!\n+00014190: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+000141a0: 6f6d 6163 735f 7472 616a 6563 746f 7279  omacs_trajectory\n+000141b0: 616e 616c 7973 6973 202d 2d3e 0a3c 6720  analysis -->.<g \n+000141c0: 6964 3d22 6e6f 6465 3239 2220 636c 6173  id=\"node29\" clas\n+000141d0: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65  s=\"node\">.<title\n+000141e0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+000141f0: 6163 735f 7472 616a 6563 746f 7279 616e  acs_trajectoryan\n+00014200: 616c 7973 6973 3c2f 7469 746c 653e 0a3c  alysis</title>.<\n+00014210: 6720 6964 3d22 615f 6e6f 6465 3239 223e  g id=\"a_node29\">\n+00014220: 3c61 2078 6c69 6e6b 3a68 7265 663d 2267  <a xlink:href=\"g\n+00014230: 726f 7570 5f5f 6d6f 6475 6c65 5f5f 7472  roup__module__tr\n+00014240: 616a 6563 746f 7279 616e 616c 7973 6973  ajectoryanalysis\n+00014250: 2e78 6874 6d6c 2220 7461 7267 6574 3d22  .xhtml\" target=\"\n+00014260: 5f74 6f70 2220 786c 696e 6b3a 7469 746c  _top\" xlink:titl\n+00014270: 653d 2274 7261 6a65 6374 6f72 7961 6e61  e=\"trajectoryana\n+00014280: 6c79 7369 7322 3e0a 3c65 6c6c 6970 7365  lysis\">.<ellipse\n+00014290: 2066 696c 6c3d 2223 6666 6363 6363 2220   fill=\"#ffcccc\" \n+000142a0: 7374 726f 6b65 3d22 626c 6163 6b22 2063  stroke=\"black\" c\n+000142b0: 783d 2232 3031 3522 2063 793d 222d 3539  x=\"2015\" cy=\"-59\n+000142c0: 352e 3237 2220 7278 3d22 3635 2e31 3122  5.27\" rx=\"65.11\"\n+000142d0: 2072 793d 2231 332e 3337 222f 3e0a 3c74   ry=\"13.37\"/>.<t\n+000142e0: 6578 7420 7465 7874 2d61 6e63 686f 723d  ext text-anchor=\n+000142f0: 226d 6964 646c 6522 2078 3d22 3230 3135  \"middle\" x=\"2015\n+00014300: 2220 793d 222d 3539 322e 3737 2220 666f  \" y=\"-592.77\" fo\n+00014310: 6e74 2d66 616d 696c 793d 2246 7265 6553  nt-family=\"FreeS\n+00014320: 616e 7322 2066 6f6e 742d 7369 7a65 3d22  ans\" font-size=\"\n+00014330: 3130 2e30 3022 3e74 7261 6a65 6374 6f72  10.00\">trajector\n+00014340: 7961 6e61 6c79 7369 733c 2f74 6578 743e  yanalysis</text>\n+00014350: 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a  .</a>.</g>.</g>.\n+00014360: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00014370: 6772 6f6d 6163 735f 7472 616a 6563 746f  gromacs_trajecto\n+00014380: 7279 616e 616c 7973 6973 2623 3435 3b26  ryanalysis&#45;&\n+00014390: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+000143a0: 6f6d 6163 735f 7261 6e64 6f6d 202d 2d3e  omacs_random -->\n+000143b0: 0a3c 6720 6964 3d22 6564 6765 3134 3122  .<g id=\"edge141\"\n+000143c0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+000143d0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+000143e0: 5f67 726f 6d61 6373 5f74 7261 6a65 6374  _gromacs_traject\n+000143f0: 6f72 7961 6e61 6c79 7369 7326 2334 353b  oryanalysis&#45;\n+00014400: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00014410: 726f 6d61 6373 5f72 616e 646f 6d3c 2f74  romacs_random</t\n+00014420: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00014430: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00014440: 626c 6163 6b22 2073 7472 6f6b 652d 6461  black\" stroke-da\n+00014450: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n+00014460: 224d 3230 3430 2e31 382c 2d35 3832 2e37  \"M2040.18,-582.7\n+00014470: 3943 3230 3536 2e30 322c 2d35 3734 2e34  9C2056.02,-574.4\n+00014480: 3720 3230 3735 2e38 382c 2d35 3631 2e38  7 2075.88,-561.8\n+00014490: 3820 3230 3839 2c2d 3534 352e 3833 2032  8 2089,-545.83 2\n+000144a0: 3131 312e 382c 2d35 3137 2e39 3320 3231  111.8,-517.93 21\n+000144b0: 3139 2c2d 3530 362e 3535 2032 3131 392c  19,-506.55 2119,\n+000144c0: 2d34 3730 2e35 3320 3231 3139 2c2d 3437  -470.53 2119,-47\n+000144d0: 302e 3533 2032 3131 392c 2d34 3730 2e35  0.53 2119,-470.5\n+000144e0: 3320 3231 3139 2c2d 3334 322e 3739 2032  3 2119,-342.79 2\n+000144f0: 3131 392c 2d33 3035 2e38 3820 3231 3133  119,-305.88 2113\n+00014500: 2e34 312c 2d32 3839 2e37 3720 3230 3834  .41,-289.77 2084\n+00014510: 2c2d 3236 372e 3438 2032 3030 342e 3639  ,-267.48 2004.69\n+00014520: 2c2d 3230 372e 3336 2031 3936 302e 3937  ,-207.36 1960.97\n+00014530: 2c2d 3234 382e 3937 2031 3836 332c 2d32  ,-248.97 1863,-2\n+00014540: 3331 2e34 3820 3138 3535 2e31 372c 2d32  31.48 1855.17,-2\n+00014550: 3330 2e30 3820 3138 3436 2e38 312c 2d32  30.08 1846.81,-2\n+00014560: 3238 2e35 3120 3138 3338 2e38 2c2d 3232  28.51 1838.8,-22\n+00014570: 362e 3937 222f 3e0a 3c70 6f6c 7967 6f6e  6.97\"/>.<polygon\n+00014580: 2066 696c 6c3d 2262 6c61 636b 2220 7374   fill=\"black\" st\n+00014590: 726f 6b65 3d22 626c 6163 6b22 2070 6f69  roke=\"black\" poi\n+000145a0: 6e74 733d 2231 3833 392e 342c 2d32 3233  nts=\"1839.4,-223\n+000145b0: 2e35 3220 3138 3238 2e39 322c 2d32 3235  .52 1828.92,-225\n+000145c0: 2e30 3520 3138 3338 2e30 372c 2d32 3330  .05 1838.07,-230\n+000145d0: 2e34 2031 3833 392e 342c 2d32 3233 2e35  .4 1839.4,-223.5\n+000145e0: 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  2\"/>.</g>.<!-- m\n+000145f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00014600: 735f 7472 616a 6563 746f 7279 616e 616c  s_trajectoryanal\n+00014610: 7973 6973 2623 3435 3b26 6774 3b6d 6f64  ysis&#45;&gt;mod\n+00014620: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00014630: 6669 6c65 696f 202d 2d3e 0a3c 6720 6964  fileio -->.<g id\n+00014640: 3d22 6564 6765 3133 3822 2063 6c61 7373  =\"edge138\" class\n+00014650: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00014660: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00014670: 6373 5f74 7261 6a65 6374 6f72 7961 6e61  cs_trajectoryana\n+00014680: 6c79 7369 7326 2334 353b 2667 743b 6d6f  lysis&#45;&gt;mo\n+00014690: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000146a0: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a  _fileio</title>.\n+000146b0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+000146c0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+000146d0: 6622 2064 3d22 4d31 3939 392e 3538 2c2d  f\" d=\"M1999.58,-\n+000146e0: 3538 312e 3939 4331 3938 372e 3836 2c2d  581.99C1987.86,-\n+000146f0: 3537 322e 3436 2031 3937 312e 3532 2c2d  572.46 1971.52,-\n+00014700: 3535 382e 3735 2031 3935 382c 2d35 3435  558.75 1958,-545\n+00014710: 2e38 3320 3139 3436 2e32 312c 2d35 3334  .83 1946.21,-534\n+00014720: 2e35 3620 3139 3437 2e34 322c 2d35 3236  .56 1947.42,-526\n+00014730: 2e35 3820 3139 3333 2c2d 3531 382e 3936  .58 1933,-518.96\n+00014740: 2031 3838 342e 3737 2c2d 3439 332e 3436   1884.77,-493.46\n+00014750: 2031 3732 342e 3931 2c2d 3437 382e 3637   1724.91,-478.67\n+00014760: 2031 3635 312e 3932 2c2d 3437 332e 3122   1651.92,-473.1\"\n+00014770: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00014780: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n+00014790: 653d 2223 6266 6266 6266 2220 706f 696e  e=\"#bfbfbf\" poin\n+000147a0: 7473 3d22 3136 3532 2e30 342c 2d34 3639  ts=\"1652.04,-469\n+000147b0: 2e36 2031 3634 312e 3831 2c2d 3437 322e  .6 1641.81,-472.\n+000147c0: 3334 2031 3635 312e 3532 2c2d 3437 362e  34 1651.52,-476.\n+000147d0: 3538 2031 3635 322e 3034 2c2d 3436 392e  58 1652.04,-469.\n+000147e0: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  6\"/>.</g>.<!-- m\n+000147f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00014800: 735f 7472 616a 6563 746f 7279 616e 616c  s_trajectoryanal\n+00014810: 7973 6973 2623 3435 3b26 6774 3b6d 6f64  ysis&#45;&gt;mod\n+00014820: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00014830: 636f 6f72 6469 6e61 7465 696f 202d 2d3e  coordinateio -->\n+00014840: 0a3c 6720 6964 3d22 6564 6765 3134 3322  .<g id=\"edge143\"\n+00014850: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00014860: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00014870: 5f67 726f 6d61 6373 5f74 7261 6a65 6374  _gromacs_traject\n+00014880: 6f72 7961 6e61 6c79 7369 7326 2334 353b  oryanalysis&#45;\n+00014890: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+000148a0: 726f 6d61 6373 5f63 6f6f 7264 696e 6174  romacs_coordinat\n+000148b0: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174  eio</title>.<pat\n+000148c0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+000148d0: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n+000148e0: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n+000148f0: 2235 2c32 2220 643d 224d 3230 3138 2e33  \"5,2\" d=\"M2018.3\n+00014900: 322c 2d35 3831 2e36 3543 3230 3230 2e32  2,-581.65C2020.2\n+00014910: 372c 2d35 3734 2e32 3320 3230 3232 2e37  7,-574.23 2022.7\n+00014920: 392c 2d35 3634 2e36 3120 3230 3235 2e30  9,-564.61 2025.0\n+00014930: 382c 2d35 3535 2e39 3222 2f3e 0a3c 706f  8,-555.92\"/>.<po\n+00014940: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n+00014950: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n+00014960: 3266 6363 2220 706f 696e 7473 3d22 3230  2fcc\" points=\"20\n+00014970: 3238 2e35 332c 2d35 3536 2e35 3520 3230  28.53,-556.55 20\n+00014980: 3237 2e36 392c 2d35 3435 2e39 3920 3230  27.69,-545.99 20\n+00014990: 3231 2e37 362c 2d35 3534 2e37 3720 3230  21.76,-554.77 20\n+000149a0: 3238 2e35 332c 2d35 3536 2e35 3522 2f3e  28.53,-556.55\"/>\n+000149b0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+000149c0: 655f 7372 635f 6772 6f6d 6163 735f 7472  e_src_gromacs_tr\n+000149d0: 616a 6563 746f 7279 616e 616c 7973 6973  ajectoryanalysis\n+000149e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+000149f0: 7372 635f 6772 6f6d 6163 735f 636f 6d6d  src_gromacs_comm\n+00014a00: 616e 646c 696e 6520 2d2d 3e0a 3c67 2069  andline -->.<g i\n+00014a10: 643d 2265 6467 6531 3337 2220 636c 6173  d=\"edge137\" clas\n+00014a20: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+00014a30: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00014a40: 6163 735f 7472 616a 6563 746f 7279 616e  acs_trajectoryan\n+00014a50: 616c 7973 6973 2623 3435 3b26 6774 3b6d  alysis&#45;&gt;m\n+00014a60: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00014a70: 735f 636f 6d6d 616e 646c 696e 653c 2f74  s_commandline</t\n+00014a80: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00014a90: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00014aa0: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n+00014ab0: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+00014ac0: 643d 224d 3139 3939 2e34 372c 2d35 3831  d=\"M1999.47,-581\n+00014ad0: 2e39 3943 3139 3831 2e36 2c2d 3536 362e  .99C1981.6,-566.\n+00014ae0: 3339 2031 3935 362e 3638 2c2d 3533 392e  39 1956.68,-539.\n+00014af0: 3037 2031 3937 332c 2d35 3138 2e39 3620  07 1973,-518.96 \n+00014b00: 3230 3231 2e39 342c 2d34 3538 2e36 3520  2021.94,-458.65 \n+00014b10: 3230 3739 2e36 312c 2d35 3236 2e34 2032  2079.61,-526.4 2\n+00014b20: 3134 342c 2d34 3832 2e39 3620 3232 3333  144,-482.96 2233\n+00014b30: 2e32 322c 2d34 3232 2e37 3720 3232 3739  .22,-422.77 2279\n+00014b40: 2c2d 3338 392e 3534 2032 3237 392c 2d32  ,-389.54 2279,-2\n+00014b50: 3831 2e39 3220 3232 3739 2c2d 3238 312e  81.92 2279,-281.\n+00014b60: 3932 2032 3237 392c 2d32 3831 2e39 3220  92 2279,-281.92 \n+00014b70: 3232 3739 2c2d 3231 372e 3035 2032 3237  2279,-217.05 227\n+00014b80: 392c 2d31 3534 2e36 3720 3133 3038 2e36  9,-154.67 1308.6\n+00014b90: 2c2d 3130 372e 3332 2031 3035 332e 3036  ,-107.32 1053.06\n+00014ba0: 2c2d 3935 2e39 3322 2f3e 0a3c 706f 6c79  ,-95.93\"/>.<poly\n+00014bb0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663  gon fill=\"#282fc\n+00014bc0: 6322 2073 7472 6f6b 653d 2223 3238 3266  c\" stroke=\"#282f\n+00014bd0: 6363 2220 706f 696e 7473 3d22 3130 3532  cc\" points=\"1052\n+00014be0: 2e39 392c 2d39 322e 3433 2031 3034 322e  .99,-92.43 1042.\n+00014bf0: 3835 2c2d 3935 2e34 3820 3130 3532 2e36  85,-95.48 1052.6\n+00014c00: 382c 2d39 392e 3432 2031 3035 322e 3939  8,-99.42 1052.99\n+00014c10: 2c2d 3932 2e34 3322 2f3e 0a3c 2f67 3e0a  ,-92.43\"/>.</g>.\n+00014c20: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00014c30: 6772 6f6d 6163 735f 7472 616a 6563 746f  gromacs_trajecto\n+00014c40: 7279 616e 616c 7973 6973 2623 3435 3b26  ryanalysis&#45;&\n+00014c50: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00014c60: 6f6d 6163 735f 676d 7861 6e61 202d 2d3e  omacs_gmxana -->\n+00014c70: 0a3c 6720 6964 3d22 6564 6765 3134 3022  .<g id=\"edge140\"\n+00014c80: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00014c90: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00014ca0: 5f67 726f 6d61 6373 5f74 7261 6a65 6374  _gromacs_traject\n+00014cb0: 6f72 7961 6e61 6c79 7369 7326 2334 353b  oryanalysis&#45;\n+00014cc0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00014cd0: 726f 6d61 6373 5f67 6d78 616e 613c 2f74  romacs_gmxana</t\n+00014ce0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00014cf0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00014d00: 2332 6363 6332 3822 2073 7472 6f6b 652d  #2ccc28\" stroke-\n+00014d10: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+00014d20: 643d 224d 3230 3134 2e32 322c 2d36 3038  d=\"M2014.22,-608\n+00014d30: 2e39 3343 3230 3132 2e34 392c 2d36 3337  .93C2012.49,-637\n+00014d40: 2e36 3520 3230 3038 2e33 392c 2d37 3039  .65 2008.39,-709\n+00014d50: 2e39 3220 3230 3037 2c2d 3737 302e 3434  .92 2007,-770.44\n+00014d60: 2032 3030 352e 3732 2c2d 3832 362e 3335   2005.72,-826.35\n+00014d70: 2032 3031 302e 3539 2c2d 3834 302e 3237   2010.59,-840.27\n+00014d80: 2032 3031 322c 2d38 3936 2e31 3820 3230   2012,-896.18 20\n+00014d90: 3134 2e31 332c 2d39 3830 2e36 2031 3939  14.13,-980.6 199\n+00014da0: 372e 3735 2c2d 3130 3030 2e38 2031 3938  7.75,-1000.8 198\n+00014db0: 392c 2d31 3038 342e 3739 2031 3938 372e  9,-1084.79 1987.\n+00014dc0: 3137 2c2d 3131 3032 2e33 3420 3139 3835  17,-1102.34 1985\n+00014dd0: 2e38 382c 2d31 3132 322e 3237 2031 3938  .88,-1122.27 198\n+00014de0: 352e 3037 2c2d 3131 3337 2e32 3122 2f3e  5.07,-1137.21\"/>\n+00014df0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00014e00: 2332 6363 6332 3822 2073 7472 6f6b 653d  #2ccc28\" stroke=\n+00014e10: 2223 3263 6363 3238 2220 706f 696e 7473  \"#2ccc28\" points\n+00014e20: 3d22 3139 3831 2e35 362c 2d31 3133 372e  =\"1981.56,-1137.\n+00014e30: 3338 2031 3938 342e 3535 2c2d 3131 3437  38 1984.55,-1147\n+00014e40: 2e35 3520 3139 3838 2e35 352c 2d31 3133  .55 1988.55,-113\n+00014e50: 372e 3734 2031 3938 312e 3536 2c2d 3131  7.74 1981.56,-11\n+00014e60: 3337 2e33 3822 2f3e 0a3c 2f67 3e0a 3c21  37.38\"/>.</g>.<!\n+00014e70: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00014e80: 6f6d 6163 735f 616e 616c 7973 6973 6461  omacs_analysisda\n+00014e90: 7461 202d 2d3e 0a3c 6720 6964 3d22 6e6f  ta -->.<g id=\"no\n+00014ea0: 6465 3335 2220 636c 6173 733d 226e 6f64  de35\" class=\"nod\n+00014eb0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00014ec0: 655f 7372 635f 6772 6f6d 6163 735f 616e  e_src_gromacs_an\n+00014ed0: 616c 7973 6973 6461 7461 3c2f 7469 746c  alysisdata</titl\n+00014ee0: 653e 0a3c 6720 6964 3d22 615f 6e6f 6465  e>.<g id=\"a_node\n+00014ef0: 3335 223e 3c61 2078 6c69 6e6b 3a68 7265  35\"><a xlink:hre\n+00014f00: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65  f=\"group__module\n+00014f10: 5f5f 616e 616c 7973 6973 6461 7461 2e78  __analysisdata.x\n+00014f20: 6874 6d6c 2220 7461 7267 6574 3d22 5f74  html\" target=\"_t\n+00014f30: 6f70 2220 786c 696e 6b3a 7469 746c 653d  op\" xlink:title=\n+00014f40: 2261 6e61 6c79 7369 7364 6174 6122 3e0a  \"analysisdata\">.\n+00014f50: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223  <ellipse fill=\"#\n+00014f60: 6666 6363 6363 2220 7374 726f 6b65 3d22  ffcccc\" stroke=\"\n+00014f70: 626c 6163 6b22 2063 783d 2231 3837 3422  black\" cx=\"1874\"\n+00014f80: 2063 793d 222d 3533 322e 3422 2072 783d   cy=\"-532.4\" rx=\n+00014f90: 2235 302e 3431 2220 7279 3d22 3133 2e33  \"50.41\" ry=\"13.3\n+00014fa0: 3722 2f3e 0a3c 7465 7874 2074 6578 742d  7\"/>.<text text-\n+00014fb0: 616e 6368 6f72 3d22 6d69 6464 6c65 2220  anchor=\"middle\" \n+00014fc0: 783d 2231 3837 3422 2079 3d22 2d35 3239  x=\"1874\" y=\"-529\n+00014fd0: 2e39 2220 666f 6e74 2d66 616d 696c 793d  .9\" font-family=\n+00014fe0: 2246 7265 6553 616e 7322 2066 6f6e 742d  \"FreeSans\" font-\n+00014ff0: 7369 7a65 3d22 3130 2e30 3022 3e61 6e61  size=\"10.00\">ana\n+00015000: 6c79 7369 7364 6174 613c 2f74 6578 743e  lysisdata</text>\n+00015010: 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a  .</a>.</g>.</g>.\n+00015020: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00015030: 6772 6f6d 6163 735f 7472 616a 6563 746f  gromacs_trajecto\n+00015040: 7279 616e 616c 7973 6973 2623 3435 3b26  ryanalysis&#45;&\n+00015050: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00015060: 6f6d 6163 735f 616e 616c 7973 6973 6461  omacs_analysisda\n+00015070: 7461 202d 2d3e 0a3c 6720 6964 3d22 6564  ta -->.<g id=\"ed\n+00015080: 6765 3133 3922 2063 6c61 7373 3d22 6564  ge139\" class=\"ed\n+00015090: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+000150a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n+000150b0: 7261 6a65 6374 6f72 7961 6e61 6c79 7369  rajectoryanalysi\n+000150c0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+000150d0: 5f73 7263 5f67 726f 6d61 6373 5f61 6e61  _src_gromacs_ana\n+000150e0: 6c79 7369 7364 6174 613c 2f74 6974 6c65  lysisdata</title\n+000150f0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+00015100: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n+00015110: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n+00015120: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n+00015130: 3139 3838 2e38 312c 2d35 3832 2e39 3643  1988.81,-582.96C\n+00015140: 3139 3636 2e31 372c 2d35 3733 2e31 3920  1966.17,-573.19 \n+00015150: 3139 3333 2e32 382c 2d35 3538 2e39 3920  1933.28,-558.99 \n+00015160: 3139 3038 2e35 2c2d 3534 382e 3239 222f  1908.5,-548.29\"/\n+00015170: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00015180: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+00015190: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n+000151a0: 733d 2231 3930 392e 3637 2c2d 3534 342e  s=\"1909.67,-544.\n+000151b0: 3938 2031 3839 392e 312c 2d35 3434 2e32  98 1899.1,-544.2\n+000151c0: 3320 3139 3036 2e39 2c2d 3535 312e 3431  3 1906.9,-551.41\n+000151d0: 2031 3930 392e 3637 2c2d 3534 342e 3938   1909.67,-544.98\n+000151e0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+000151f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00015200: 5f67 6d78 7072 6570 726f 6365 7373 202d  _gmxpreprocess -\n+00015210: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3430  ->.<g id=\"node40\n+00015220: 2220 636c 6173 733d 226e 6f64 6522 3e0a  \" class=\"node\">.\n+00015230: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+00015240: 635f 6772 6f6d 6163 735f 676d 7870 7265  c_gromacs_gmxpre\n+00015250: 7072 6f63 6573 733c 2f74 6974 6c65 3e0a  process</title>.\n+00015260: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223  <ellipse fill=\"#\n+00015270: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n+00015280: 626c 6163 6b22 2063 783d 2231 3730 3922  black\" cx=\"1709\"\n+00015290: 2063 793d 222d 3132 3233 2e39 3722 2072   cy=\"-1223.97\" r\n+000152a0: 783d 2235 382e 3838 2220 7279 3d22 3133  x=\"58.88\" ry=\"13\n+000152b0: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n+000152c0: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n+000152d0: 2220 783d 2231 3730 3922 2079 3d22 2d31  \" x=\"1709\" y=\"-1\n+000152e0: 3232 312e 3437 2220 666f 6e74 2d66 616d  221.47\" font-fam\n+000152f0: 696c 793d 2246 7265 6553 616e 7322 2066  ily=\"FreeSans\" f\n+00015300: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022  ont-size=\"10.00\"\n+00015310: 3e67 6d78 7072 6570 726f 6365 7373 3c2f  >gmxpreprocess</\n+00015320: 7465 7874 3e0a 3c2f 673e 0a3c 212d 2d20  text>.</g>.<!-- \n+00015330: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00015340: 6373 5f74 7261 6a65 6374 6f72 7961 6e61  cs_trajectoryana\n+00015350: 6c79 7369 7326 2334 353b 2667 743b 6d6f  lysis&#45;&gt;mo\n+00015360: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00015370: 5f67 6d78 7072 6570 726f 6365 7373 202d  _gmxpreprocess -\n+00015380: 2d3e 0a3c 6720 6964 3d22 6564 6765 3134  ->.<g id=\"edge14\n+00015390: 3222 2063 6c61 7373 3d22 6564 6765 223e  2\" class=\"edge\">\n+000153a0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+000153b0: 7263 5f67 726f 6d61 6373 5f74 7261 6a65  rc_gromacs_traje\n+000153c0: 6374 6f72 7961 6e61 6c79 7369 7326 2334  ctoryanalysis&#4\n+000153d0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+000153e0: 5f67 726f 6d61 6373 5f67 6d78 7072 6570  _gromacs_gmxprep\n+000153f0: 726f 6365 7373 3c2f 7469 746c 653e 0a3c  rocess</title>.<\n+00015400: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00015410: 2073 7472 6f6b 653d 2223 3263 6363 3238   stroke=\"#2ccc28\n+00015420: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+00015430: 6179 3d22 352c 3222 2064 3d22 4d31 3937  ay=\"5,2\" d=\"M197\n+00015440: 392e 3936 2c2d 3630 362e 3743 3139 3531  9.96,-606.7C1951\n+00015450: 2e38 362c 2d36 3135 2e35 3220 3139 3131  .86,-615.52 1911\n+00015460: 2e36 392c 2d36 3239 2e31 3920 3138 3738  .69,-629.19 1878\n+00015470: 2c2d 3634 342e 3720 3137 3736 2e34 2c2d  ,-644.7 1776.4,-\n+00015480: 3639 312e 3438 2031 3733 382e 352c 2d36  691.48 1738.5,-6\n+00015490: 3930 2e37 3720 3136 3630 2c2d 3737 302e  90.77 1660,-770.\n+000154a0: 3434 2031 3634 332e 3938 2c2d 3738 362e  44 1643.98,-786.\n+000154b0: 3720 3136 3237 2e39 372c 2d38 3436 2e31  7 1627.97,-846.1\n+000154c0: 2031 3631 302c 2d38 3630 2e31 3820 3134   1610,-860.18 14\n+000154d0: 3238 2e30 342c 2d31 3030 322e 3736 2038  28.04,-1002.76 8\n+000154e0: 3135 2e39 322c 2d31 3031 362e 3638 2035  15.92,-1016.68 5\n+000154f0: 3837 2c2d 3130 3438 2e37 3920 3433 332e  87,-1048.79 433.\n+00015500: 3237 2c2d 3130 3730 2e33 3520 3239 352e  27,-1070.35 295.\n+00015510: 342c 2d39 3938 2e36 3120 3235 322c 2d31  4,-998.61 252,-1\n+00015520: 3134 372e 3636 2032 3438 2e36 362c 2d31  147.66 248.66,-1\n+00015530: 3135 392e 3133 2032 3433 2e37 2c2d 3131  159.13 243.7,-11\n+00015540: 3635 2e39 3520 3235 322c 2d31 3137 342e  65.95 252,-1174.\n+00015550: 3533 2032 3736 2e34 332c 2d31 3139 392e  53 276.43,-1199.\n+00015560: 3739 2031 3335 352e 3433 2c2d 3132 3137  79 1355.43,-1217\n+00015570: 2e36 3820 3136 3430 2e35 322c 2d31 3232  .68 1640.52,-122\n+00015580: 312e 3937 222f 3e0a 3c70 6f6c 7967 6f6e  1.97\"/>.<polygon\n+00015590: 2066 696c 6c3d 2223 3263 6363 3238 2220   fill=\"#2ccc28\" \n+000155a0: 7374 726f 6b65 3d22 2332 6363 6332 3822  stroke=\"#2ccc28\"\n+000155b0: 2070 6f69 6e74 733d 2231 3634 302e 3637   points=\"1640.67\n+000155c0: 2c2d 3132 3235 2e34 3820 3136 3530 2e37  ,-1225.48 1650.7\n+000155d0: 322c 2d31 3232 322e 3133 2031 3634 302e  2,-1222.13 1640.\n+000155e0: 3737 2c2d 3132 3138 2e34 3820 3136 3430  77,-1218.48 1640\n+000155f0: 2e36 372c 2d31 3232 352e 3438 222f 3e0a  .67,-1225.48\"/>.\n+00015600: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+00015610: 5f73 7263 5f67 726f 6d61 6373 5f74 7261  _src_gromacs_tra\n+00015620: 6a65 6374 6f72 7961 6e61 6c79 7369 7326  jectoryanalysis&\n+00015630: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00015640: 7263 5f67 726f 6d61 6373 5f73 7461 7469  rc_gromacs_stati\n+00015650: 7374 6963 7320 2d2d 3e0a 3c67 2069 643d  stics -->.<g id=\n+00015660: 2265 6467 6531 3434 2220 636c 6173 733d  \"edge144\" class=\n+00015670: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+00015680: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00015690: 735f 7472 616a 6563 746f 7279 616e 616c  s_trajectoryanal\n+000156a0: 7973 6973 2623 3435 3b26 6774 3b6d 6f64  ysis&#45;&gt;mod\n+000156b0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000156c0: 7374 6174 6973 7469 6373 3c2f 7469 746c  statistics</titl\n+000156d0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+000156e0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n+000156f0: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n+00015700: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n+00015710: 4d31 3937 342e 3735 2c2d 3538 342e 3635  M1974.75,-584.65\n+00015720: 4331 3933 342e 3333 2c2d 3537 342e 3937  C1934.33,-574.97\n+00015730: 2031 3837 302e 3331 2c2d 3535 392e 3535   1870.31,-559.55\n+00015740: 2031 3831 352c 2d35 3435 2e38 3320 3138   1815,-545.83 18\n+00015750: 3132 2e31 362c 2d35 3435 2e31 3320 3138  12.16,-545.13 18\n+00015760: 3039 2e32 342c 2d35 3434 2e34 2031 3830  09.24,-544.4 180\n+00015770: 362e 3239 2c2d 3534 332e 3636 222f 3e0a  6.29,-543.66\"/>.\n+00015780: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+00015790: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n+000157a0: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n+000157b0: 2231 3830 362e 3836 2c2d 3534 302e 3139  \"1806.86,-540.19\n+000157c0: 2031 3739 362e 3331 2c2d 3534 312e 3134   1796.31,-541.14\n+000157d0: 2031 3830 352e 3135 2c2d 3534 362e 3938   1805.15,-546.98\n+000157e0: 2031 3830 362e 3836 2c2d 3534 302e 3139   1806.86,-540.19\n+000157f0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+00015800: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00015810: 5f63 6f6d 6d61 6e64 6c69 6e65 2623 3435  _commandline&#45\n+00015820: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00015830: 6772 6f6d 6163 735f 6669 6c65 696f 202d  gromacs_fileio -\n+00015840: 2d3e 0a3c 6720 6964 3d22 6564 6765 3134  ->.<g id=\"edge14\n+00015850: 3722 2063 6c61 7373 3d22 6564 6765 223e  7\" class=\"edge\">\n+00015860: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00015870: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61  rc_gromacs_comma\n+00015880: 6e64 6c69 6e65 2623 3435 3b26 6774 3b6d  ndline&#45;&gt;m\n+00015890: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000158a0: 735f 6669 6c65 696f 3c2f 7469 746c 653e  s_fileio</title>\n+000158b0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+000158c0: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n+000158d0: 6266 2220 643d 224d 3130 3433 2e39 322c  bf\" d=\"M1043.92,\n+000158e0: 2d39 342e 3537 4331 3133 322e 3338 2c2d  -94.57C1132.38,-\n+000158f0: 3937 2e36 3120 3133 3137 2e35 342c 2d31  97.61 1317.54,-1\n+00015900: 3037 2e38 3220 3134 3730 2c2d 3134 312e  07.82 1470,-141.\n+00015910: 3734 2031 3536 382e 3833 2c2d 3136 332e  74 1568.83,-163.\n+00015920: 3733 2031 3638 352c 2d31 3135 2e38 2031  73 1685,-115.8 1\n+00015930: 3638 352c 2d32 3137 2e30 3520 3136 3835  685,-217.05 1685\n+00015940: 2c2d 3334 342e 3739 2031 3638 352c 2d33  ,-344.79 1685,-3\n+00015950: 3434 2e37 3920 3136 3835 2c2d 3334 342e  44.79 1685,-344.\n+00015960: 3739 2031 3638 352c 2d33 3836 2e33 3320  79 1685,-386.33 \n+00015970: 3136 3534 2e37 342c 2d34 3236 2e37 3420  1654.74,-426.74 \n+00015980: 3136 3334 2e30 312c 2d34 3439 2e35 3522  1634.01,-449.55\"\n+00015990: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+000159a0: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n+000159b0: 653d 2223 6266 6266 6266 2220 706f 696e  e=\"#bfbfbf\" poin\n+000159c0: 7473 3d22 3136 3331 2e31 382c 2d34 3437  ts=\"1631.18,-447\n+000159d0: 2e34 3420 3136 3236 2e38 372c 2d34 3537  .44 1626.87,-457\n+000159e0: 2e31 3220 3136 3336 2e32 382c 2d34 3532  .12 1636.28,-452\n+000159f0: 2e32 3420 3136 3331 2e31 382c 2d34 3437  .24 1631.18,-447\n+00015a00: 2e34 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .44\"/>.</g>.<!--\n+00015a10: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00015a20: 6163 735f 636f 6d6d 616e 646c 696e 6526  acs_commandline&\n+00015a30: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00015a40: 7263 5f67 726f 6d61 6373 5f6f 6e6c 696e  rc_gromacs_onlin\n+00015a50: 6568 656c 7020 2d2d 3e0a 3c67 2069 643d  ehelp -->.<g id=\n+00015a60: 2265 6467 6531 3435 2220 636c 6173 733d  \"edge145\" class=\n+00015a70: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+00015a80: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00015a90: 735f 636f 6d6d 616e 646c 696e 6526 2334  s_commandline&#4\n+00015aa0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00015ab0: 5f67 726f 6d61 6373 5f6f 6e6c 696e 6568  _gromacs_onlineh\n+00015ac0: 656c 703c 2f74 6974 6c65 3e0a 3c70 6174  elp</title>.<pat\n+00015ad0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00015ae0: 726f 6b65 3d22 2332 3832 6663 6322 2064  roke=\"#282fcc\" d\n+00015af0: 3d22 4d39 3932 2c2d 3738 2e36 3943 3939  =\"M992,-78.69C99\n+00015b00: 322c 2d37 312e 3335 2039 3932 2c2d 3631  2,-71.35 992,-61\n+00015b10: 2e38 3620 3939 322c 2d35 332e 3235 222f  .86 992,-53.25\"/\n+00015b20: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00015b30: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+00015b40: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n+00015b50: 733d 2239 3935 2e35 2c2d 3533 2e30 3320  s=\"995.5,-53.03 \n+00015b60: 3939 322c 2d34 332e 3033 2039 3838 2e35  992,-43.03 988.5\n+00015b70: 2c2d 3533 2e30 3320 3939 352e 352c 2d35  ,-53.03 995.5,-5\n+00015b80: 332e 3033 222f 3e0a 3c2f 673e 0a3c 212d  3.03\"/>.</g>.<!-\n+00015b90: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+00015ba0: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65  macs_commandline\n+00015bb0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00015bc0: 7372 635f 6772 6f6d 6163 735f 6f70 7469  src_gromacs_opti\n+00015bd0: 6f6e 7320 2d2d 3e0a 3c67 2069 643d 2265  ons -->.<g id=\"e\n+00015be0: 6467 6531 3436 2220 636c 6173 733d 2265  dge146\" class=\"e\n+00015bf0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00015c00: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00015c10: 636f 6d6d 616e 646c 696e 6526 2334 353b  commandline&#45;\n+00015c20: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00015c30: 726f 6d61 6373 5f6f 7074 696f 6e73 3c2f  romacs_options</\n+00015c40: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00015c50: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00015c60: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+00015c70: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+00015c80: 2064 3d22 4d39 3530 2e39 322c 2d38 332e   d=\"M950.92,-83.\n+00015c90: 3834 4338 3836 2e32 312c 2d37 322e 3038  84C886.21,-72.08\n+00015ca0: 2037 3631 2e33 312c 2d34 392e 3339 2036   761.31,-49.39 6\n+00015cb0: 3937 2e31 372c 2d33 372e 3733 222f 3e0a  97.17,-37.73\"/>.\n+00015cc0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+00015cd0: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n+00015ce0: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n+00015cf0: 2236 3937 2e35 312c 2d33 342e 3234 2036  \"697.51,-34.24 6\n+00015d00: 3837 2e30 342c 2d33 352e 3839 2036 3936  87.04,-35.89 696\n+00015d10: 2e32 362c 2d34 312e 3133 2036 3937 2e35  .26,-41.13 697.5\n+00015d20: 312c 2d33 342e 3234 222f 3e0a 3c2f 673e  1,-34.24\"/>.</g>\n+00015d30: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00015d40: 5f67 726f 6d61 6373 5f61 7070 6c69 6564  _gromacs_applied\n+00015d50: 5f66 6f72 6365 7320 2d2d 3e0a 3c67 2069  _forces -->.<g i\n+00015d60: 643d 226e 6f64 6533 3122 2063 6c61 7373  d=\"node31\" class\n+00015d70: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e  =\"node\">.<title>\n+00015d80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00015d90: 6373 5f61 7070 6c69 6564 5f66 6f72 6365  cs_applied_force\n+00015da0: 733c 2f74 6974 6c65 3e0a 3c65 6c6c 6970  s</title>.<ellip\n+00015db0: 7365 2066 696c 6c3d 2223 6266 6266 6266  se fill=\"#bfbfbf\n+00015dc0: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n+00015dd0: 2063 783d 2238 3133 2220 6379 3d22 2d35   cx=\"813\" cy=\"-5\n+00015de0: 3332 2e34 2220 7278 3d22 3536 2e36 3422  32.4\" rx=\"56.64\"\n+00015df0: 2072 793d 2231 332e 3337 222f 3e0a 3c74   ry=\"13.37\"/>.<t\n+00015e00: 6578 7420 7465 7874 2d61 6e63 686f 723d  ext text-anchor=\n+00015e10: 226d 6964 646c 6522 2078 3d22 3831 3322  \"middle\" x=\"813\"\n+00015e20: 2079 3d22 2d35 3239 2e39 2220 666f 6e74   y=\"-529.9\" font\n+00015e30: 2d66 616d 696c 793d 2246 7265 6553 616e  -family=\"FreeSan\n+00015e40: 7322 2066 6f6e 742d 7369 7a65 3d22 3130  s\" font-size=\"10\n+00015e50: 2e30 3022 3e61 7070 6c69 6564 5f66 6f72  .00\">applied_for\n+00015e60: 6365 733c 2f74 6578 743e 0a3c 2f67 3e0a  ces</text>.</g>.\n+00015e70: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00015e80: 6772 6f6d 6163 735f 6170 706c 6965 645f  gromacs_applied_\n+00015e90: 666f 7263 6573 2623 3435 3b26 6774 3b6d  forces&#45;&gt;m\n+00015ea0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00015eb0: 735f 676d 786c 6962 202d 2d3e 0a3c 6720  s_gmxlib -->.<g \n+00015ec0: 6964 3d22 6564 6765 3135 3322 2063 6c61  id=\"edge153\" cla\n+00015ed0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+00015ee0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+00015ef0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n+00015f00: 6365 7326 2334 353b 2667 743b 6d6f 6475  ces&#45;&gt;modu\n+00015f10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+00015f20: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70  mxlib</title>.<p\n+00015f30: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00015f40: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00015f50: 2064 3d22 4d38 3037 2e39 312c 2d35 3435   d=\"M807.91,-545\n+00015f60: 2e38 4337 3939 2e33 352c 2d35 3637 2e38  .8C799.35,-567.8\n+00015f70: 3220 3738 332c 2d36 3135 2e33 3620 3738  2 783,-615.36 78\n+00015f80: 332c 2d36 3537 2e31 3420 3738 332c 2d39  3,-657.14 783,-9\n+00015f90: 3733 2e34 3920 3738 332c 2d39 3733 2e34  73.49 783,-973.4\n+00015fa0: 3920 3738 332c 2d39 3733 2e34 3920 3738  9 783,-973.49 78\n+00015fb0: 332c 2d31 3036 312e 3737 2039 3132 2e38  3,-1061.77 912.8\n+00015fc0: 392c 2d31 3038 372e 3133 2039 3831 2e35  9,-1087.13 981.5\n+00015fd0: 362c 2d31 3039 342e 3337 222f 3e0a 3c70  6,-1094.37\"/>.<p\n+00015fe0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n+00015ff0: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n+00016000: 6662 6662 6622 2070 6f69 6e74 733d 2239  fbfbf\" points=\"9\n+00016010: 3831 2e33 332c 2d31 3039 372e 3836 2039  81.33,-1097.86 9\n+00016020: 3931 2e36 322c 2d31 3039 352e 3334 2039  91.62,-1095.34 9\n+00016030: 3832 2e30 312c 2d31 3039 302e 3839 2039  82.01,-1090.89 9\n+00016040: 3831 2e33 332c 2d31 3039 372e 3836 222f  81.33,-1097.86\"/\n+00016050: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00016060: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61  le_src_gromacs_a\n+00016070: 7070 6c69 6564 5f66 6f72 6365 7326 2334  pplied_forces&#4\n+00016080: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00016090: 5f67 726f 6d61 6373 5f72 616e 646f 6d20  _gromacs_random \n+000160a0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+000160b0: 3539 2220 636c 6173 733d 2265 6467 6522  59\" class=\"edge\"\n+000160c0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+000160d0: 7372 635f 6772 6f6d 6163 735f 6170 706c  src_gromacs_appl\n+000160e0: 6965 645f 666f 7263 6573 2623 3435 3b26  ied_forces&#45;&\n+000160f0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00016100: 6f6d 6163 735f 7261 6e64 6f6d 3c2f 7469  omacs_random</ti\n+00016110: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+00016120: 226e 6f6e 6522 2073 7472 6f6b 653d 2262  \"none\" stroke=\"b\n+00016130: 6c61 636b 2220 7374 726f 6b65 2d64 6173  lack\" stroke-das\n+00016140: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n+00016150: 4d38 3434 2e38 332c 2d35 3231 2e31 3743  M844.83,-521.17C\n+00016160: 3837 302e 3738 2c2d 3531 322e 3337 2039  870.78,-512.37 9\n+00016170: 3038 2e30 362c 2d34 3938 2e36 3320 3933  08.06,-498.63 93\n+00016180: 392c 2d34 3832 2e39 3620 3130 3331 2e33  9,-482.96 1031.3\n+00016190: 332c 2d34 3336 2e32 3120 3130 3439 2e30  3,-436.21 1049.0\n+000161a0: 352c 2d34 3134 2e38 3820 3131 3335 2c2d  5,-414.88 1135,-\n+000161b0: 3335 372e 3232 2031 3139 322e 372c 2d33  357.22 1192.7,-3\n+000161c0: 3138 2e35 3120 3131 3937 2e37 352c 2d32  18.51 1197.75,-2\n+000161d0: 3931 2e33 3620 3132 3633 2c2d 3236 372e  91.36 1263,-267.\n+000161e0: 3438 2031 3335 322e 3839 2c2d 3233 342e  48 1352.89,-234.\n+000161f0: 3539 2031 3634 322e 3234 2c2d 3232 332e  59 1642.24,-223.\n+00016200: 3332 2031 3735 342e 3139 2c2d 3232 302e  32 1754.19,-220.\n+00016210: 3133 222f 3e0a 3c70 6f6c 7967 6f6e 2066  13\"/>.<polygon f\n+00016220: 696c 6c3d 2262 6c61 636b 2220 7374 726f  ill=\"black\" stro\n+00016230: 6b65 3d22 626c 6163 6b22 2070 6f69 6e74  ke=\"black\" point\n+00016240: 733d 2231 3735 342e 3535 2c2d 3232 332e  s=\"1754.55,-223.\n+00016250: 3632 2031 3736 342e 3435 2c2d 3231 392e  62 1764.45,-219.\n+00016260: 3835 2031 3735 342e 3336 2c2d 3231 362e  85 1754.36,-216.\n+00016270: 3633 2031 3735 342e 3535 2c2d 3232 332e  63 1754.55,-223.\n+00016280: 3632 222f 3e0a 3c2f 673e 0a3c 212d 2d20  62\"/>.</g>.<!-- \n+00016290: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000162a0: 6373 5f61 7070 6c69 6564 5f66 6f72 6365  cs_applied_force\n+000162b0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+000162c0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474  _src_gromacs_mdt\n+000162d0: 7970 6573 202d 2d3e 0a3c 6720 6964 3d22  ypes -->.<g id=\"\n+000162e0: 6564 6765 3135 3022 2063 6c61 7373 3d22  edge150\" class=\"\n+000162f0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00016300: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00016310: 5f61 7070 6c69 6564 5f66 6f72 6365 7326  _applied_forces&\n+00016320: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00016330: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n+00016340: 6573 3c2f 7469 746c 653e 0a3c 7061 7468  es</title>.<path\n+00016350: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00016360: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n+00016370: 224d 3835 372e 3634 2c2d 3534 302e 3638  \"M857.64,-540.68\n+00016380: 4339 3239 2e38 332c 2d35 3533 2e37 3620  C929.83,-553.76 \n+00016390: 3130 3735 2e32 312c 2d35 3835 2e35 3520  1075.21,-585.55 \n+000163a0: 3131 3835 2c2d 3634 342e 3720 3133 3337  1185,-644.7 1337\n+000163b0: 2e34 332c 2d37 3236 2e38 3320 3132 3638  .43,-726.83 1268\n+000163c0: 2e36 382c 2d38 3437 2e37 3320 3133 3733  .68,-847.73 1373\n+000163d0: 2c2d 3938 352e 3932 2031 3338 322e 3437  ,-985.92 1382.47\n+000163e0: 2c2d 3939 382e 3437 2031 3339 352e 3935  ,-998.47 1395.95\n+000163f0: 2c2d 3130 3039 2e35 3220 3134 3037 2e39  ,-1009.52 1407.9\n+00016400: 332c 2d31 3031 372e 3839 222f 3e0a 3c70  3,-1017.89\"/>.<p\n+00016410: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n+00016420: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n+00016430: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n+00016440: 3430 362e 3035 2c2d 3130 3230 2e38 3420  406.05,-1020.84 \n+00016450: 3134 3136 2e33 2c2d 3130 3233 2e34 3920  1416.3,-1023.49 \n+00016460: 3134 3039 2e39 342c 2d31 3031 352e 3032  1409.94,-1015.02\n+00016470: 2031 3430 362e 3035 2c2d 3130 3230 2e38   1406.05,-1020.8\n+00016480: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  4\"/>.</g>.<!-- m\n+00016490: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000164a0: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n+000164b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+000164c0: 7372 635f 6772 6f6d 6163 735f 6669 6c65  src_gromacs_file\n+000164d0: 696f 202d 2d3e 0a3c 6720 6964 3d22 6564  io -->.<g id=\"ed\n+000164e0: 6765 3134 3922 2063 6c61 7373 3d22 6564  ge149\" class=\"ed\n+000164f0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+00016500: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61  le_src_gromacs_a\n+00016510: 7070 6c69 6564 5f66 6f72 6365 7326 2334  pplied_forces&#4\n+00016520: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00016530: 5f67 726f 6d61 6373 5f66 696c 6569 6f3c  _gromacs_fileio<\n+00016540: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00016550: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00016560: 3d22 2362 6662 6662 6622 2064 3d22 4d38  =\"#bfbfbf\" d=\"M8\n+00016570: 3635 2e36 322c 2d35 3237 2e34 4331 3031  65.62,-527.4C101\n+00016580: 362e 382c 2d35 3135 2e39 3320 3134 3439  6.8,-515.93 1449\n+00016590: 2e37 362c 2d34 3833 2e30 3720 3135 3738  .76,-483.07 1578\n+000165a0: 2e34 382c 2d34 3733 2e33 222f 3e0a 3c70  .48,-473.3\"/>.<p\n+000165b0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n+000165c0: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n+000165d0: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n+000165e0: 3537 382e 392c 2d34 3736 2e37 3820 3135  578.9,-476.78 15\n+000165f0: 3838 2e36 2c2d 3437 322e 3533 2031 3537  88.6,-472.53 157\n+00016600: 382e 3337 2c2d 3436 392e 3820 3135 3738  8.37,-469.8 1578\n+00016610: 2e39 2c2d 3437 362e 3738 222f 3e0a 3c2f  .9,-476.78\"/>.</\n+00016620: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00016630: 7263 5f67 726f 6d61 6373 5f61 7070 6c69  rc_gromacs_appli\n+00016640: 6564 5f66 6f72 6365 7326 2334 353b 2667  ed_forces&#45;&g\n+00016650: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00016660: 6d61 6373 5f63 6f6d 7061 7420 2d2d 3e0a  macs_compat -->.\n+00016670: 3c67 2069 643d 2265 6467 6531 3538 2220  <g id=\"edge158\" \n+00016680: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+00016690: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+000166a0: 6772 6f6d 6163 735f 6170 706c 6965 645f  gromacs_applied_\n+000166b0: 666f 7263 6573 2623 3435 3b26 6774 3b6d  forces&#45;&gt;m\n+000166c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000166d0: 735f 636f 6d70 6174 3c2f 7469 746c 653e  s_compat</title>\n+000166e0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+000166f0: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n+00016700: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n+00016710: 7272 6179 3d22 352c 3222 2064 3d22 4d38  rray=\"5,2\" d=\"M8\n+00016720: 3133 2e36 382c 2d35 3138 2e37 3543 3831  13.68,-518.75C81\n+00016730: 342e 3832 2c2d 3439 362e 3336 2038 3137  4.82,-496.36 817\n+00016740: 2c2d 3434 382e 3238 2038 3137 2c2d 3430  ,-448.28 817,-40\n+00016750: 372e 3636 2038 3137 2c2d 3430 372e 3636  7.66 817,-407.66\n+00016760: 2038 3137 2c2d 3430 372e 3636 2038 3137   817,-407.66 817\n+00016770: 2c2d 3334 322e 3739 2038 3137 2c2d 3330  ,-342.79 817,-30\n+00016780: 362e 3634 2038 3036 2e32 352c 2d32 3635  6.64 806.25,-265\n+00016790: 2e38 3120 3739 382e 3537 2c2d 3234 312e  .81 798.57,-241.\n+000167a0: 3237 222f 3e0a 3c70 6f6c 7967 6f6e 2066  27\"/>.<polygon f\n+000167b0: 696c 6c3d 2223 3238 3266 6363 2220 7374  ill=\"#282fcc\" st\n+000167c0: 726f 6b65 3d22 2332 3832 6663 6322 2070  roke=\"#282fcc\" p\n+000167d0: 6f69 6e74 733d 2238 3031 2e38 322c 2d32  oints=\"801.82,-2\n+000167e0: 3339 2e39 3520 3739 352e 3431 2c2d 3233  39.95 795.41,-23\n+000167f0: 312e 3531 2037 3935 2e31 362c 2d32 3432  1.51 795.16,-242\n+00016800: 2e31 2038 3031 2e38 322c 2d32 3339 2e39  .1 801.82,-239.9\n+00016810: 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  5\"/>.</g>.<!-- m\n+00016820: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00016830: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n+00016840: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00016850: 7372 635f 6772 6f6d 6163 735f 6577 616c  src_gromacs_ewal\n+00016860: 6420 2d2d 3e0a 3c67 2069 643d 2265 6467  d -->.<g id=\"edg\n+00016870: 6531 3536 2220 636c 6173 733d 2265 6467  e156\" class=\"edg\n+00016880: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00016890: 655f 7372 635f 6772 6f6d 6163 735f 6170  e_src_gromacs_ap\n+000168a0: 706c 6965 645f 666f 7263 6573 2623 3435  plied_forces&#45\n+000168b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+000168c0: 6772 6f6d 6163 735f 6577 616c 643c 2f74  gromacs_ewald</t\n+000168d0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+000168e0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+000168f0: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n+00016900: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+00016910: 643d 224d 3830 322e 3236 2c2d 3534 352e  d=\"M802.26,-545.\n+00016920: 3831 4337 3934 2e36 312c 2d35 3535 2e31  81C794.61,-555.1\n+00016930: 3820 3738 342e 3536 2c2d 3536 382e 3634  8 784.56,-568.64\n+00016940: 2037 3738 2c2d 3538 312e 3833 2037 3230   778,-581.83 720\n+00016950: 2e31 312c 2d36 3938 2e32 3520 3738 322e  .11,-698.25 782.\n+00016960: 3337 2c2d 3737 302e 3734 2036 3838 2c2d  37,-770.74 688,-\n+00016970: 3836 302e 3138 2036 3530 2e30 352c 2d38  860.18 650.05,-8\n+00016980: 3936 2e31 3520 3631 382e 3533 2c2d 3836  96.15 618.53,-86\n+00016990: 352e 3736 2035 3736 2c2d 3839 362e 3138  5.76 576,-896.18\n+000169a0: 2035 3633 2e38 392c 2d39 3034 2e38 3420   563.89,-904.84 \n+000169b0: 3536 382e 3036 2c2d 3931 342e 3332 2035  568.06,-914.32 5\n+000169c0: 3536 2c2d 3932 332e 3035 2035 3233 2e36  56,-923.05 523.6\n+000169d0: 352c 2d39 3436 2e34 3720 3437 392e 3233  5,-946.47 479.23\n+000169e0: 2c2d 3935 392e 3120 3434 382e 312c 2d39  ,-959.1 448.1,-9\n+000169f0: 3635 2e35 3222 2f3e 0a3c 706f 6c79 676f  65.52\"/>.<polygo\n+00016a00: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n+00016a10: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+00016a20: 2220 706f 696e 7473 3d22 3434 372e 3234  \" points=\"447.24\n+00016a30: 2c2d 3936 322e 3132 2034 3338 2e31 2c2d  ,-962.12 438.1,-\n+00016a40: 3936 372e 3437 2034 3438 2e35 382c 2d39  967.47 448.58,-9\n+00016a50: 3638 2e39 3920 3434 372e 3234 2c2d 3936  68.99 447.24,-96\n+00016a60: 322e 3132 222f 3e0a 3c2f 673e 0a3c 212d  2.12\"/>.</g>.<!-\n+00016a70: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+00016a80: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n+00016a90: 6365 7326 2334 353b 2667 743b 6d6f 6475  ces&#45;&gt;modu\n+00016aa0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00016ab0: 646c 6962 202d 2d3e 0a3c 6720 6964 3d22  dlib -->.<g id=\"\n+00016ac0: 6564 6765 3135 3722 2063 6c61 7373 3d22  edge157\" class=\"\n+00016ad0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00016ae0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00016af0: 5f61 7070 6c69 6564 5f66 6f72 6365 7326  _applied_forces&\n+00016b00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00016b10: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n+00016b20: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00016b30: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00016b40: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n+00016b50: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+00016b60: 3222 2064 3d22 4d38 3334 2e32 352c 2d35  2\" d=\"M834.25,-5\n+00016b70: 3139 2e39 4338 3532 2e33 2c2d 3531 302e  19.9C852.3,-510.\n+00016b80: 3132 2038 3738 2e38 382c 2d34 3935 2e36  12 878.88,-495.6\n+00016b90: 3820 3930 322c 2d34 3832 2e39 3620 3935  8 902,-482.96 95\n+00016ba0: 322e 3335 2c2d 3435 352e 3235 2039 3736  2.35,-455.25 976\n+00016bb0: 2e32 2c2d 3436 322e 3439 2031 3031 352c  .2,-462.49 1015,\n+00016bc0: 2d34 3230 2e30 3920 3130 3434 2e34 382c  -420.09 1044.48,\n+00016bd0: 2d33 3837 2e38 3820 3130 3237 2e35 392c  -387.88 1027.59,\n+00016be0: 2d33 3634 2e33 3520 3130 3535 2c2d 3333  -364.35 1055,-33\n+00016bf0: 302e 3335 2031 3036 352e 3837 2c2d 3331  0.35 1065.87,-31\n+00016c00: 362e 3837 2031 3038 312e 3335 2c2d 3330  6.87 1081.35,-30\n+00016c10: 352e 3234 2031 3039 342e 3539 2c2d 3239  5.24 1094.59,-29\n+00016c20: 362e 3736 222f 3e0a 3c70 6f6c 7967 6f6e  6.76\"/>.<polygon\n+00016c30: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n+00016c40: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00016c50: 2070 6f69 6e74 733d 2231 3039 362e 3631   points=\"1096.61\n+00016c60: 2c2d 3239 392e 3633 2031 3130 332e 3331  ,-299.63 1103.31\n+00016c70: 2c2d 3239 312e 3431 2031 3039 322e 3935  ,-291.41 1092.95\n+00016c80: 2c2d 3239 332e 3636 2031 3039 362e 3631  ,-293.66 1096.61\n+00016c90: 2c2d 3239 392e 3633 222f 3e0a 3c2f 673e  ,-299.63\"/>.</g>\n+00016ca0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00016cb0: 5f67 726f 6d61 6373 5f61 7070 6c69 6564  _gromacs_applied\n+00016cc0: 5f66 6f72 6365 7326 2334 353b 2667 743b  _forces&#45;&gt;\n+00016cd0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00016ce0: 6373 5f6d 6472 756e 7574 696c 6974 7920  cs_mdrunutility \n+00016cf0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+00016d00: 3534 2220 636c 6173 733d 2265 6467 6522  54\" class=\"edge\"\n+00016d10: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00016d20: 7372 635f 6772 6f6d 6163 735f 6170 706c  src_gromacs_appl\n+00016d30: 6965 645f 666f 7263 6573 2623 3435 3b26  ied_forces&#45;&\n+00016d40: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00016d50: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69  omacs_mdrunutili\n+00016d60: 7479 3c2f 7469 746c 653e 0a3c 7061 7468  ty</title>.<path\n+00016d70: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00016d80: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n+00016d90: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+00016da0: 352c 3222 2064 3d22 4d38 3136 2e37 2c2d  5,2\" d=\"M816.7,-\n+00016db0: 3531 382e 3639 4338 3234 2e32 332c 2d34  518.69C824.23,-4\n+00016dc0: 3933 2e37 3320 3834 322e 3733 2c2d 3433  93.73 842.73,-43\n+00016dd0: 362e 3839 2038 3637 2c2d 3339 332e 3232  6.89 867,-393.22\n+00016de0: 2039 3030 2e38 392c 2d33 3332 2e32 3320   900.89,-332.23 \n+00016df0: 3930 372e 3732 2c2d 3331 322e 3533 2039  907.72,-312.53 9\n+00016e00: 3631 2c2d 3236 372e 3438 2039 3837 2e37  61,-267.48 987.7\n+00016e10: 312c 2d32 3434 2e38 3920 3130 3035 2e38  1,-244.89 1005.8\n+00016e20: 342c 2d32 3535 2e37 3920 3130 3331 2c2d  4,-255.79 1031,-\n+00016e30: 3233 312e 3438 2031 3034 302e 3833 2c2d  231.48 1040.83,-\n+00016e40: 3232 312e 3938 2031 3033 382e 3635 2c2d  221.98 1038.65,-\n+00016e50: 3231 362e 3134 2031 3034 362c 2d32 3034  216.14 1046,-204\n+00016e60: 2e36 3120 3130 3531 2e39 362c 2d31 3935  .61 1051.96,-195\n+00016e70: 2e32 3620 3130 3539 2e30 342c 2d31 3835  .26 1059.04,-185\n+00016e80: 2e32 3820 3130 3635 2e32 372c 2d31 3736  .28 1065.27,-176\n+00016e90: 2e38 3222 2f3e 0a3c 706f 6c79 676f 6e20  .82\"/>.<polygon \n+00016ea0: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n+00016eb0: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+00016ec0: 706f 696e 7473 3d22 3130 3638 2e32 2c2d  points=\"1068.2,-\n+00016ed0: 3137 382e 3735 2031 3037 312e 3337 2c2d  178.75 1071.37,-\n+00016ee0: 3136 382e 3634 2031 3036 322e 3539 2c2d  168.64 1062.59,-\n+00016ef0: 3137 342e 3536 2031 3036 382e 322c 2d31  174.56 1068.2,-1\n+00016f00: 3738 2e37 3522 2f3e 0a3c 2f67 3e0a 3c21  78.75\"/>.</g>.<!\n+00016f10: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00016f20: 6f6d 6163 735f 6170 706c 6965 645f 666f  omacs_applied_fo\n+00016f30: 7263 6573 2623 3435 3b26 6774 3b6d 6f64  rces&#45;&gt;mod\n+00016f40: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00016f50: 636f 6d6d 616e 646c 696e 6520 2d2d 3e0a  commandline -->.\n+00016f60: 3c67 2069 643d 2265 6467 6531 3438 2220  <g id=\"edge148\" \n+00016f70: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+00016f80: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00016f90: 6772 6f6d 6163 735f 6170 706c 6965 645f  gromacs_applied_\n+00016fa0: 666f 7263 6573 2623 3435 3b26 6774 3b6d  forces&#45;&gt;m\n+00016fb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00016fc0: 735f 636f 6d6d 616e 646c 696e 653c 2f74  s_commandline</t\n+00016fd0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00016fe0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00016ff0: 626c 6163 6b22 2073 7472 6f6b 652d 6461  black\" stroke-da\n+00017000: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n+00017010: 224d 3830 332e 3938 2c2d 3531 382e 3939  \"M803.98,-518.99\n+00017020: 4337 3833 2e38 352c 2d34 3930 2e30 3420  C783.85,-490.04 \n+00017030: 3733 372c 2d34 3135 2e31 2037 3337 2c2d  737,-415.1 737,-\n+00017040: 3334 342e 3739 2037 3337 2c2d 3334 342e  344.79 737,-344.\n+00017050: 3739 2037 3337 2c2d 3334 342e 3739 2037  79 737,-344.79 7\n+00017060: 3337 2c2d 3231 372e 3035 2037 3337 2c2d  37,-217.05 737,-\n+00017070: 3137 302e 3837 2038 3734 2e30 342c 2d31  170.87 874.04,-1\n+00017080: 3235 2e38 3920 3934 372e 322c 2d31 3035  25.89 947.2,-105\n+00017090: 2e31 3822 2f3e 0a3c 706f 6c79 676f 6e20  .18\"/>.<polygon \n+000170a0: 6669 6c6c 3d22 626c 6163 6b22 2073 7472  fill=\"black\" str\n+000170b0: 6f6b 653d 2262 6c61 636b 2220 706f 696e  oke=\"black\" poin\n+000170c0: 7473 3d22 3934 382e 3339 2c2d 3130 382e  ts=\"948.39,-108.\n+000170d0: 3438 2039 3537 2e30 382c 2d31 3032 2e34  48 957.08,-102.4\n+000170e0: 3220 3934 362e 352c 2d31 3031 2e37 3420  2 946.5,-101.74 \n+000170f0: 3934 382e 3339 2c2d 3130 382e 3438 222f  948.39,-108.48\"/\n+00017100: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00017110: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61  le_src_gromacs_a\n+00017120: 7070 6c69 6564 5f66 6f72 6365 7326 2334  pplied_forces&#4\n+00017130: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00017140: 5f67 726f 6d61 6373 5f6d 6473 7061 6e20  _gromacs_mdspan \n+00017150: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+00017160: 3630 2220 636c 6173 733d 2265 6467 6522  60\" class=\"edge\"\n+00017170: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00017180: 7372 635f 6772 6f6d 6163 735f 6170 706c  src_gromacs_appl\n+00017190: 6965 645f 666f 7263 6573 2623 3435 3b26  ied_forces&#45;&\n+000171a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+000171b0: 6f6d 6163 735f 6d64 7370 616e 3c2f 7469  omacs_mdspan</ti\n+000171c0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+000171d0: 226e 6f6e 6522 2073 7472 6f6b 653d 2272  \"none\" stroke=\"r\n+000171e0: 6564 2220 643d 224d 3739 372e 3936 2c2d  ed\" d=\"M797.96,-\n+000171f0: 3531 392e 3131 4337 3837 2e35 382c 2d35  519.11C787.58,-5\n+00017200: 3130 2e30 3120 3737 342e 3038 2c2d 3439  10.01 774.08,-49\n+00017210: 362e 3833 2037 3635 2c2d 3438 322e 3936  6.83 765,-482.96\n+00017220: 2037 3239 2e33 392c 2d34 3238 2e35 3720   729.39,-428.57 \n+00017230: 3731 372c 2d34 3039 2e38 2037 3137 2c2d  717,-409.8 717,-\n+00017240: 3334 342e 3739 2037 3137 2c2d 3334 342e  344.79 717,-344.\n+00017250: 3739 2037 3137 2c2d 3334 342e 3739 2037  79 717,-344.79 7\n+00017260: 3137 2c2d 3237 392e 3932 2037 3137 2c2d  17,-279.92 717,-\n+00017270: 3234 332e 3839 2037 3138 2e37 372c 2d32  243.89 718.77,-2\n+00017280: 3237 2037 3437 2c2d 3230 342e 3631 2038  27 747,-204.61 8\n+00017290: 3331 2e31 362c 2d31 3337 2e38 3520 3838  31.16,-137.85 88\n+000172a0: 362e 312c 2d32 3038 2e30 3920 3938 362c  6.1,-208.09 986,\n+000172b0: 2d31 3638 2e36 3120 3130 3035 2e35 382c  -168.61 1005.58,\n+000172c0: 2d31 3630 2e38 3720 3130 3035 2e32 362c  -160.87 1005.26,\n+000172d0: 2d31 3439 2e30 3520 3130 3235 2c2d 3134  -149.05 1025,-14\n+000172e0: 312e 3734 2031 3039 392e 3534 2c2d 3131  1.74 1099.54,-11\n+000172f0: 342e 3134 2031 3333 352e 3234 2c2d 3130  4.14 1335.24,-10\n+00017300: 302e 3133 2031 3433 352e 3333 2c2d 3935  0.13 1435.33,-95\n+00017310: 2e33 222f 3e0a 3c70 6f6c 7967 6f6e 2066  .3\"/>.<polygon f\n+00017320: 696c 6c3d 2272 6564 2220 7374 726f 6b65  ill=\"red\" stroke\n+00017330: 3d22 7265 6422 2070 6f69 6e74 733d 2231  =\"red\" points=\"1\n+00017340: 3433 352e 3631 2c2d 3938 2e37 3920 3134  435.61,-98.79 14\n+00017350: 3435 2e34 332c 2d39 342e 3832 2031 3433  45.43,-94.82 143\n+00017360: 352e 3238 2c2d 3931 2e38 2031 3433 352e  5.28,-91.8 1435.\n+00017370: 3631 2c2d 3938 2e37 3922 2f3e 0a3c 2f67  61,-98.79\"/>.</g\n+00017380: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00017390: 635f 6772 6f6d 6163 735f 6170 706c 6965  c_gromacs_applie\n+000173a0: 645f 666f 7263 6573 2623 3435 3b26 6774  d_forces&#45;&gt\n+000173b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+000173c0: 6163 735f 6f70 7469 6f6e 7320 2d2d 3e0a  acs_options -->.\n+000173d0: 3c67 2069 643d 2265 6467 6531 3531 2220  <g id=\"edge151\" \n+000173e0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+000173f0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00017400: 6772 6f6d 6163 735f 6170 706c 6965 645f  gromacs_applied_\n+00017410: 666f 7263 6573 2623 3435 3b26 6774 3b6d  forces&#45;&gt;m\n+00017420: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00017430: 735f 6f70 7469 6f6e 733c 2f74 6974 6c65  s_options</title\n+00017440: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+00017450: 6e65 2220 7374 726f 6b65 3d22 626c 6163  ne\" stroke=\"blac\n+00017460: 6b22 2073 7472 6f6b 652d 6461 7368 6172  k\" stroke-dashar\n+00017470: 7261 793d 2235 2c32 2220 643d 224d 3739  ray=\"5,2\" d=\"M79\n+00017480: 302e 3938 2c2d 3531 392e 3933 4337 3736  0.98,-519.93C776\n+00017490: 2e33 342c 2d35 3131 2e33 3920 3735 372e  .34,-511.39 757.\n+000174a0: 3536 2c2d 3439 382e 3533 2037 3435 2c2d  56,-498.53 745,-\n+000174b0: 3438 322e 3936 2037 3235 2e39 312c 2d34  482.96 725.91,-4\n+000174c0: 3539 2e32 3920 3732 362e 3432 2c2d 3434  59.29 726.42,-44\n+000174d0: 392e 3331 2037 3138 2c2d 3432 302e 3039  9.31 718,-420.09\n+000174e0: 2036 3738 2e38 342c 2d32 3834 2e31 3320   678.84,-284.13 \n+000174f0: 3636 332e 3135 2c2d 3131 332e 3738 2036  663.15,-113.78 6\n+00017500: 3538 2e35 362c 2d35 332e 3134 222f 3e0a  58.56,-53.14\"/>.\n+00017510: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262  <polygon fill=\"b\n+00017520: 6c61 636b 2220 7374 726f 6b65 3d22 626c  lack\" stroke=\"bl\n+00017530: 6163 6b22 2070 6f69 6e74 733d 2236 3632  ack\" points=\"662\n+00017540: 2e30 352c 2d35 322e 3835 2036 3537 2e38  .05,-52.85 657.8\n+00017550: 332c 2d34 332e 3133 2036 3535 2e30 372c  3,-43.13 655.07,\n+00017560: 2d35 332e 3336 2036 3632 2e30 352c 2d35  -53.36 662.05,-5\n+00017570: 322e 3835 222f 3e0a 3c2f 673e 0a3c 212d  2.85\"/>.</g>.<!-\n+00017580: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+00017590: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n+000175a0: 6365 7326 2334 353b 2667 743b 6d6f 6475  ces&#45;&gt;modu\n+000175b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+000175c0: 6d78 7072 6570 726f 6365 7373 202d 2d3e  mxpreprocess -->\n+000175d0: 0a3c 6720 6964 3d22 6564 6765 3135 3522  .<g id=\"edge155\"\n+000175e0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+000175f0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00017600: 5f67 726f 6d61 6373 5f61 7070 6c69 6564  _gromacs_applied\n+00017610: 5f66 6f72 6365 7326 2334 353b 2667 743b  _forces&#45;&gt;\n+00017620: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00017630: 6373 5f67 6d78 7072 6570 726f 6365 7373  cs_gmxpreprocess\n+00017640: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00017650: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00017660: 653d 2223 3263 6363 3238 2220 7374 726f  e=\"#2ccc28\" stro\n+00017670: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+00017680: 3222 2064 3d22 4d38 3637 2e38 362c 2d35  2\" d=\"M867.86,-5\n+00017690: 3335 2e39 3743 3130 3536 2e39 2c2d 3534  35.97C1056.9,-54\n+000176a0: 342e 3931 2031 3637 302e 3032 2c2d 3537  4.91 1670.02,-57\n+000176b0: 342e 3434 2031 3637 372c 2d35 3831 2e38  4.44 1677,-581.8\n+000176c0: 3320 3137 3633 2e35 322c 2d36 3733 2e33  3 1763.52,-673.3\n+000176d0: 3420 3137 3130 2e38 392c 2d37 3639 2e30  4 1710.89,-769.0\n+000176e0: 3220 3136 3234 2c2d 3836 302e 3138 2031  2 1624,-860.18 1\n+000176f0: 3538 362e 3734 2c2d 3839 392e 3238 2031  586.74,-899.28 1\n+00017700: 3536 392e 3336 2c2d 3930 312e 3133 2031  569.36,-901.13 1\n+00017710: 3532 302c 2d39 3233 2e30 3520 3134 3632  520,-923.05 1462\n+00017720: 2e39 352c 2d39 3438 2e33 3820 3130 3139  .95,-948.38 1019\n+00017730: 2e32 352c 2d31 3033 342e 3720 3938 322c  .25,-1034.7 982,\n+00017740: 2d31 3038 342e 3739 2039 3734 2e38 372c  -1084.79 974.87,\n+00017750: 2d31 3039 342e 3337 2039 3734 2e34 372c  -1094.37 974.47,\n+00017760: 2d31 3130 322e 3339 2039 3832 2c2d 3131  -1102.39 982,-11\n+00017770: 3131 2e36 3620 3130 3633 2e38 372c 2d31  11.66 1063.87,-1\n+00017780: 3231 322e 3533 2031 3437 342e 3933 2c2d  212.53 1474.93,-\n+00017790: 3132 3233 2e33 3720 3136 3430 2e31 322c  1223.37 1640.12,\n+000177a0: 2d31 3232 332e 3537 222f 3e0a 3c70 6f6c  -1223.57\"/>.<pol\n+000177b0: 7967 6f6e 2066 696c 6c3d 2223 3263 6363  ygon fill=\"#2ccc\n+000177c0: 3238 2220 7374 726f 6b65 3d22 2332 6363  28\" stroke=\"#2cc\n+000177d0: 6332 3822 2070 6f69 6e74 733d 2231 3634  c28\" points=\"164\n+000177e0: 302e 3137 2c2d 3132 3237 2e30 3720 3136  0.17,-1227.07 16\n+000177f0: 3530 2e31 372c 2d31 3232 332e 3537 2031  50.17,-1223.57 1\n+00017800: 3634 302e 3137 2c2d 3132 3230 2e30 3720  640.17,-1220.07 \n+00017810: 3136 3430 2e31 372c 2d31 3232 372e 3037  1640.17,-1227.07\n+00017820: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+00017830: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00017840: 5f61 7070 6c69 6564 5f66 6f72 6365 7326  _applied_forces&\n+00017850: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00017860: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465  rc_gromacs_domde\n+00017870: 6320 2d2d 3e0a 3c67 2069 643d 2265 6467  c -->.<g id=\"edg\n+00017880: 6531 3532 2220 636c 6173 733d 2265 6467  e152\" class=\"edg\n+00017890: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+000178a0: 655f 7372 635f 6772 6f6d 6163 735f 6170  e_src_gromacs_ap\n+000178b0: 706c 6965 645f 666f 7263 6573 2623 3435  plied_forces&#45\n+000178c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+000178d0: 6772 6f6d 6163 735f 646f 6d64 6563 3c2f  gromacs_domdec</\n+000178e0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+000178f0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n 00017900: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-00017910: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n-00017920: 733d 2236 3931 2e31 312c 2d39 3935 2e33  s=\"691.11,-995.3\n-00017930: 3220 3638 352e 3735 2c2d 3938 362e 3138  2 685.75,-986.18\n-00017940: 2036 3834 2e32 342c 2d39 3936 2e36 3720   684.24,-996.67 \n-00017950: 3639 312e 3131 2c2d 3939 352e 3332 222f  691.11,-995.32\"/\n-00017960: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00017970: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-00017980: 6d78 7072 6570 726f 6365 7373 2623 3435  mxpreprocess&#45\n-00017990: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-000179a0: 6772 6f6d 6163 735f 6d64 6c69 6220 2d2d  gromacs_mdlib --\n-000179b0: 3e0a 3c67 2069 643d 2265 6467 6531 3530  >.<g id=\"edge150\n-000179c0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-000179d0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-000179e0: 635f 6772 6f6d 6163 735f 676d 7870 7265  c_gromacs_gmxpre\n-000179f0: 7072 6f63 6573 7326 2334 353b 2667 743b  process&#45;&gt;\n-00017a00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00017a10: 6373 5f6d 646c 6962 3c2f 7469 746c 653e  cs_mdlib</title>\n-00017a20: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-00017a30: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n-00017a40: 6266 2220 643d 224d 3139 3038 2e30 352c  bf\" d=\"M1908.05,\n-00017a50: 2d31 3135 342e 3833 4332 3031 352e 3331  -1154.83C2015.31\n-00017a60: 2c2d 3131 3432 2e35 3320 3232 3531 2c2d  ,-1142.53 2251,-\n-00017a70: 3131 3037 2e34 3120 3232 3531 2c2d 3130  1107.41 2251,-10\n-00017a80: 3336 2e33 3620 3232 3531 2c2d 3130 3336  36.36 2251,-1036\n-00017a90: 2e33 3620 3232 3531 2c2d 3130 3336 2e33  .36 2251,-1036.3\n-00017aa0: 3620 3232 3531 2c2d 3738 322e 3838 2032  6 2251,-782.88 2\n-00017ab0: 3235 312c 2d33 3230 2e38 3420 3134 3434  251,-320.84 1444\n-00017ac0: 2e30 382c 2d32 3335 2e30 3220 3132 3537  .08,-235.02 1257\n-00017ad0: 2e39 372c 2d32 3231 2e33 3822 2f3e 0a3c  .97,-221.38\"/>.<\n-00017ae0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n-00017af0: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n-00017b00: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n-00017b10: 3132 3538 2e30 372c 2d32 3137 2e38 3720  1258.07,-217.87 \n-00017b20: 3132 3437 2e38 342c 2d32 3230 2e36 3620  1247.84,-220.66 \n-00017b30: 3132 3537 2e35 372c 2d32 3234 2e38 3620  1257.57,-224.86 \n-00017b40: 3132 3538 2e30 372c 2d32 3137 2e38 3722  1258.07,-217.87\"\n-00017b50: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00017b60: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00017b70: 676d 7870 7265 7072 6f63 6573 7326 2334  gmxpreprocess&#4\n+00017910: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+00017920: 2064 3d22 4d37 3837 2e38 362c 2d35 3434   d=\"M787.86,-544\n+00017930: 2e34 3743 3733 362e 3534 2c2d 3536 372e  .47C736.54,-567.\n+00017940: 3037 2036 3139 2e38 2c2d 3631 382e 3437  07 619.8,-618.47\n+00017950: 2035 3633 2e35 312c 2d36 3433 2e32 3622   563.51,-643.26\"\n+00017960: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00017970: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+00017980: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n+00017990: 7473 3d22 3536 312e 3739 2c2d 3634 302e  ts=\"561.79,-640.\n+000179a0: 3139 2035 3534 2e30 352c 2d36 3437 2e34  19 554.05,-647.4\n+000179b0: 3320 3536 342e 3631 2c2d 3634 362e 3620  3 564.61,-646.6 \n+000179c0: 3536 312e 3739 2c2d 3634 302e 3139 222f  561.79,-640.19\"/\n+000179d0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+000179e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n+000179f0: 6f6f 6c73 202d 2d3e 0a3c 6720 6964 3d22  ools -->.<g id=\"\n+00017a00: 6e6f 6465 3332 2220 636c 6173 733d 226e  node32\" class=\"n\n+00017a10: 6f64 6522 3e0a 3c74 6974 6c65 3e6d 6f64  ode\">.<title>mod\n+00017a20: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00017a30: 746f 6f6c 733c 2f74 6974 6c65 3e0a 3c65  tools</title>.<e\n+00017a40: 6c6c 6970 7365 2066 696c 6c3d 2223 6266  llipse fill=\"#bf\n+00017a50: 6266 6266 2220 7374 726f 6b65 3d22 626c  bfbf\" stroke=\"bl\n+00017a60: 6163 6b22 2063 783d 2234 3730 2220 6379  ack\" cx=\"470\" cy\n+00017a70: 3d22 2d31 3238 362e 3834 2220 7278 3d22  =\"-1286.84\" rx=\"\n+00017a80: 3237 2220 7279 3d22 3133 2e33 3722 2f3e  27\" ry=\"13.37\"/>\n+00017a90: 0a3c 7465 7874 2074 6578 742d 616e 6368  .<text text-anch\n+00017aa0: 6f72 3d22 6d69 6464 6c65 2220 783d 2234  or=\"middle\" x=\"4\n+00017ab0: 3730 2220 793d 222d 3132 3834 2e33 3422  70\" y=\"-1284.34\"\n+00017ac0: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672   font-family=\"Fr\n+00017ad0: 6565 5361 6e73 2220 666f 6e74 2d73 697a  eeSans\" font-siz\n+00017ae0: 653d 2231 302e 3030 223e 746f 6f6c 733c  e=\"10.00\">tools<\n+00017af0: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d  /text>.</g>.<!--\n+00017b00: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00017b10: 6163 735f 746f 6f6c 7326 2334 353b 2667  acs_tools&#45;&g\n+00017b20: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00017b30: 6d61 6373 5f67 6d78 6c69 6220 2d2d 3e0a  macs_gmxlib -->.\n+00017b40: 3c67 2069 643d 2265 6467 6531 3639 2220  <g id=\"edge169\" \n+00017b50: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+00017b60: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00017b70: 6772 6f6d 6163 735f 746f 6f6c 7326 2334  gromacs_tools&#4\n 00017b80: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00017b90: 5f67 726f 6d61 6373 5f67 6d78 6c69 6220  _gromacs_gmxlib \n-00017ba0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n-00017bb0: 3439 2220 636c 6173 733d 2265 6467 6522  49\" class=\"edge\"\n-00017bc0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00017bd0: 7372 635f 6772 6f6d 6163 735f 676d 7870  src_gromacs_gmxp\n-00017be0: 7265 7072 6f63 6573 7326 2334 353b 2667  reprocess&#45;&g\n-00017bf0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00017c00: 6d61 6373 5f67 6d78 6c69 623c 2f74 6974  macs_gmxlib</tit\n-00017c10: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-00017c20: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n-00017c30: 6662 6662 6622 2064 3d22 4d31 3739 382e  fbfbf\" d=\"M1798.\n-00017c40: 3839 2c2d 3131 3537 2e39 3943 3137 3234  89,-1157.99C1724\n-00017c50: 2e34 372c 2d31 3135 342e 3033 2031 3630  .47,-1154.03 160\n-00017c60: 302e 3033 2c2d 3131 3432 2e38 3220 3135  0.03,-1142.82 15\n-00017c70: 3638 2c2d 3131 3131 2e36 3620 3135 3138  68,-1111.66 1518\n-00017c80: 2e34 352c 2d31 3036 332e 3436 2031 3536  .45,-1063.46 156\n-00017c90: 352e 3239 2c2d 3130 3232 2e35 3620 3135  5.29,-1022.56 15\n-00017ca0: 3338 2c2d 3935 392e 3035 2031 3532 372e  38,-959.05 1527.\n-00017cb0: 3835 2c2d 3933 352e 3433 2031 3432 342e  85,-935.43 1424.\n-00017cc0: 3038 2c2d 3738 362e 3439 2031 3430 342c  08,-786.49 1404,\n-00017cd0: 2d37 3730 2e34 3420 3133 3830 2e34 382c  -770.44 1380.48,\n-00017ce0: 2d37 3531 2e36 3420 3133 3438 2e36 312c  -751.64 1348.61,\n-00017cf0: 2d37 3339 2e30 3320 3133 3234 2e32 332c  -739.03 1324.23,\n-00017d00: 2d37 3331 2e34 3122 2f3e 0a3c 706f 6c79  -731.41\"/>.<poly\n-00017d10: 676f 6e20 6669 6c6c 3d22 2362 6662 6662  gon fill=\"#bfbfb\n-00017d20: 6622 2073 7472 6f6b 653d 2223 6266 6266  f\" stroke=\"#bfbf\n-00017d30: 6266 2220 706f 696e 7473 3d22 3133 3235  bf\" points=\"1325\n-00017d40: 2e32 2c2d 3732 382e 3035 2031 3331 342e  .2,-728.05 1314.\n-00017d50: 3632 2c2d 3732 382e 3534 2031 3332 332e  62,-728.54 1323.\n-00017d60: 322c 2d37 3334 2e37 3520 3133 3235 2e32  2,-734.75 1325.2\n-00017d70: 2c2d 3732 382e 3035 222f 3e0a 3c2f 673e  ,-728.05\"/>.</g>\n-00017d80: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00017d90: 5f67 726f 6d61 6373 5f67 6d78 7072 6570  _gromacs_gmxprep\n-00017da0: 726f 6365 7373 2623 3435 3b26 6774 3b6d  rocess&#45;&gt;m\n-00017db0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00017dc0: 735f 6d64 7479 7065 7320 2d2d 3e0a 3c67  s_mdtypes -->.<g\n-00017dd0: 2069 643d 2265 6467 6531 3533 2220 636c   id=\"edge153\" cl\n-00017de0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00017df0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00017e00: 6f6d 6163 735f 676d 7870 7265 7072 6f63  omacs_gmxpreproc\n-00017e10: 6573 7326 2334 353b 2667 743b 6d6f 6475  ess&#45;&gt;modu\n-00017e20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-00017e30: 6474 7970 6573 3c2f 7469 746c 653e 0a3c  dtypes</title>.<\n-00017e40: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00017e50: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n-00017e60: 2220 643d 224d 3137 3937 2e37 332c 2d31  \" d=\"M1797.73,-1\n-00017e70: 3135 382e 3936 4331 3731 372e 3836 2c2d  158.96C1717.86,-\n-00017e80: 3131 3536 2e31 3120 3135 3830 2e33 332c  1156.11 1580.33,\n-00017e90: 2d31 3134 362e 3138 2031 3534 362c 2d31  -1146.18 1546,-1\n-00017ea0: 3131 312e 3636 2031 3532 312e 3831 2c2d  111.66 1521.81,-\n-00017eb0: 3130 3837 2e33 3420 3135 3436 2e38 2c2d  1087.34 1546.8,-\n-00017ec0: 3938 332e 3735 2031 3532 332c 2d39 3539  983.75 1523,-959\n-00017ed0: 2e30 3520 3135 3137 2e38 362c 2d39 3533  .05 1517.86,-953\n-00017ee0: 2e37 3220 3130 3036 2e30 322c 2d38 3632  .72 1006.02,-862\n-00017ef0: 2e35 3520 3939 392c 2d38 3630 2e31 3820  .55 999,-860.18 \n-00017f00: 3934 302e 3039 2c2d 3834 302e 3235 2039  940.09,-840.25 9\n-00017f10: 3138 2e33 352c 2d38 3430 2e39 2038 3734  18.35,-840.9 874\n-00017f20: 2c2d 3739 372e 3331 2038 3433 2e36 392c  ,-797.31 843.69,\n-00017f30: 2d37 3637 2e35 3220 3831 372e 3233 2c2d  -767.52 817.23,-\n-00017f40: 3734 322e 3820 3834 312c 2d37 3037 2e35  742.8 841,-707.5\n-00017f50: 3720 3835 302e 352c 2d36 3933 2e35 2038  7 850.5,-693.5 8\n-00017f60: 3930 2e36 312c 2d36 3739 2e31 3620 3932  90.61,-679.16 92\n-00017f70: 312e 3837 2c2d 3636 392e 3737 222f 3e0a  1.87,-669.77\"/>.\n-00017f80: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-00017f90: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n-00017fa0: 2362 6662 6662 6622 2070 6f69 6e74 733d  #bfbfbf\" points=\n-00017fb0: 2239 3233 2e30 352c 2d36 3733 2e30 3820  \"923.05,-673.08 \n-00017fc0: 3933 312e 3637 2c2d 3636 362e 3931 2039  931.67,-666.91 9\n-00017fd0: 3231 2e30 382c 2d36 3636 2e33 3620 3932  21.08,-666.36 92\n-00017fe0: 332e 3035 2c2d 3637 332e 3038 222f 3e0a  3.05,-673.08\"/>.\n-00017ff0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00018000: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n-00018010: 7072 6570 726f 6365 7373 2623 3435 3b26  preprocess&#45;&\n-00018020: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00018030: 6f6d 6163 735f 636f 6d6d 616e 646c 696e  omacs_commandlin\n-00018040: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467  e -->.<g id=\"edg\n-00018050: 6531 3536 2220 636c 6173 733d 2265 6467  e156\" class=\"edg\n-00018060: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00018070: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n-00018080: 7870 7265 7072 6f63 6573 7326 2334 353b  xpreprocess&#45;\n-00018090: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-000180a0: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69  romacs_commandli\n-000180b0: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468  ne</title>.<path\n-000180c0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-000180d0: 6f6b 653d 2262 6c61 636b 2220 7374 726f  oke=\"black\" stro\n-000180e0: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-000180f0: 3222 2064 3d22 4d31 3931 342e 3039 2c2d  2\" d=\"M1914.09,-\n-00018100: 3131 3538 2e39 3543 3230 3136 2e38 312c  1158.95C2016.81,\n-00018110: 2d31 3135 362e 3035 2032 3232 352e 3636  -1156.05 2225.66\n-00018120: 2c2d 3131 3435 2e39 3920 3232 3839 2c2d  ,-1145.99 2289,-\n-00018130: 3131 3131 2e36 3620 3233 3237 2e31 312c  1111.66 2327.11,\n-00018140: 2d31 3039 3120 3233 3531 2c2d 3130 3739  -1091 2351,-1079\n-00018150: 2e37 3120 3233 3531 2c2d 3130 3336 2e33  .71 2351,-1036.3\n-00018160: 3620 3233 3531 2c2d 3130 3336 2e33 3620  6 2351,-1036.36 \n-00018170: 3233 3531 2c2d 3130 3336 2e33 3620 3233  2351,-1036.36 23\n-00018180: 3531 2c2d 3430 352e 3636 2032 3335 312c  51,-405.66 2351,\n-00018190: 2d33 3136 2e30 3520 3233 3837 2e39 322c  -316.05 2387.92,\n-000181a0: 2d32 3737 2e36 3420 3233 3336 2c2d 3230  -277.64 2336,-20\n-000181b0: 342e 3631 2032 3239 322e 3639 2c2d 3134  4.61 2292.69,-14\n-000181c0: 332e 3639 2032 3036 392e 3039 2c2d 3131  3.69 2069.09,-11\n-000181d0: 312e 3336 2031 3936 312e 372c 2d39 392e  1.36 1961.7,-99.\n-000181e0: 3134 222f 3e0a 3c70 6f6c 7967 6f6e 2066  14\"/>.<polygon f\n-000181f0: 696c 6c3d 2262 6c61 636b 2220 7374 726f  ill=\"black\" stro\n-00018200: 6b65 3d22 626c 6163 6b22 2070 6f69 6e74  ke=\"black\" point\n-00018210: 733d 2231 3936 322e 3031 2c2d 3935 2e36  s=\"1962.01,-95.6\n-00018220: 3520 3139 3531 2e36 382c 2d39 382e 3032  5 1951.68,-98.02\n-00018230: 2031 3936 312e 3233 2c2d 3130 322e 3631   1961.23,-102.61\n-00018240: 2031 3936 322e 3031 2c2d 3935 2e36 3522   1962.01,-95.65\"\n-00018250: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00018260: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00018270: 676d 7870 7265 7072 6f63 6573 7326 2334  gmxpreprocess&#4\n-00018280: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00018290: 5f67 726f 6d61 6373 5f6d 6472 756e 7574  _gromacs_mdrunut\n-000182a0: 696c 6974 7920 2d2d 3e0a 3c67 2069 643d  ility -->.<g id=\n-000182b0: 2265 6467 6531 3532 2220 636c 6173 733d  \"edge152\" class=\n-000182c0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-000182d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-000182e0: 735f 676d 7870 7265 7072 6f63 6573 7326  s_gmxpreprocess&\n-000182f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00018300: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n-00018310: 7574 696c 6974 793c 2f74 6974 6c65 3e0a  utility</title>.\n-00018320: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-00018330: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-00018340: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n-00018350: 7261 793d 2235 2c32 2220 643d 224d 3138  ray=\"5,2\" d=\"M18\n-00018360: 3937 2e31 352c 2d31 3135 312e 3543 3139  97.15,-1151.5C19\n-00018370: 3837 2e35 332c 2d31 3133 302e 3431 2032  87.53,-1130.41 2\n-00018380: 3139 312e 3438 2c2d 3130 3639 2e36 3320  191.48,-1069.63 \n-00018390: 3231 3431 2c2d 3935 392e 3035 2032 3130  2141,-959.05 210\n-000183a0: 302e 3836 2c2d 3837 312e 3132 2031 3738  0.86,-871.12 178\n-000183b0: 372e 3436 2c2d 3633 352e 3532 2031 3636  7.46,-635.52 166\n-000183c0: 312c 2d35 3831 2e38 3320 3135 3830 2e35  1,-581.83 1580.5\n-000183d0: 352c 2d35 3437 2e36 3820 3134 3738 2e37  5,-547.68 1478.7\n-000183e0: 322c 2d35 3337 2e34 3220 3134 3136 2e32  2,-537.42 1416.2\n-000183f0: 352c 2d35 3334 2e34 3522 2f3e 0a3c 706f  5,-534.45\"/>.<po\n-00018400: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-00018410: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-00018420: 3266 6363 2220 706f 696e 7473 3d22 3134  2fcc\" points=\"14\n-00018430: 3136 2e33 332c 2d35 3330 2e39 3520 3134  16.33,-530.95 14\n-00018440: 3036 2e31 392c 2d35 3334 2e30 3220 3134  06.19,-534.02 14\n-00018450: 3136 2e30 332c 2d35 3337 2e39 3420 3134  16.03,-537.94 14\n-00018460: 3136 2e33 332c 2d35 3330 2e39 3522 2f3e  16.33,-530.95\"/>\n-00018470: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00018480: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n-00018490: 7870 7265 7072 6f63 6573 7326 2334 353b  xpreprocess&#45;\n-000184a0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-000184b0: 726f 6d61 6373 5f6c 6973 7465 645f 666f  romacs_listed_fo\n-000184c0: 7263 6573 202d 2d3e 0a3c 6720 6964 3d22  rces -->.<g id=\"\n-000184d0: 6564 6765 3135 3722 2063 6c61 7373 3d22  edge157\" class=\"\n-000184e0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-000184f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00018500: 5f67 6d78 7072 6570 726f 6365 7373 2623  _gmxpreprocess&#\n-00018510: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00018520: 635f 6772 6f6d 6163 735f 6c69 7374 6564  c_gromacs_listed\n-00018530: 5f66 6f72 6365 733c 2f74 6974 6c65 3e0a  _forces</title>.\n-00018540: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-00018550: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-00018560: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n-00018570: 7261 793d 2235 2c32 2220 643d 224d 3138  ray=\"5,2\" d=\"M18\n-00018580: 3531 2e37 362c 2d31 3134 372e 3632 4331  51.76,-1147.62C1\n-00018590: 3834 342e 3633 2c2d 3131 3235 2e34 3820  844.63,-1125.48 \n-000185a0: 3138 3331 2c2d 3130 3737 2e37 3820 3138  1831,-1077.78 18\n-000185b0: 3331 2c2d 3130 3336 2e33 3620 3138 3331  31,-1036.36 1831\n-000185c0: 2c2d 3130 3336 2e33 3620 3138 3331 2c2d  ,-1036.36 1831,-\n-000185d0: 3130 3336 2e33 3620 3138 3331 2c2d 3930  1036.36 1831,-90\n-000185e0: 382e 3632 2031 3833 312c 2d37 3438 2e34  8.62 1831,-748.4\n-000185f0: 3420 3138 3039 2e33 362c 2d36 3734 2e39  4 1809.36,-674.9\n-00018600: 3220 3136 3739 2c2d 3538 312e 3833 2031  2 1679,-581.83 1\n-00018610: 3631 312e 3036 2c2d 3533 332e 3332 2031  611.06,-533.32 1\n-00018620: 3035 302e 3534 2c2d 3335 352e 3731 2039  050.54,-355.71 9\n-00018630: 3731 2c2d 3333 302e 3335 2039 3238 2e31  71,-330.35 928.1\n-00018640: 392c 2d33 3136 2e37 2038 3738 2e37 352c  9,-316.7 878.75,\n-00018650: 2d33 3032 2e39 3120 3834 342e 3038 2c2d  -302.91 844.08,-\n-00018660: 3239 332e 3535 222f 3e0a 3c70 6f6c 7967  293.55\"/>.<polyg\n-00018670: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n-00018680: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-00018690: 6322 2070 6f69 6e74 733d 2238 3434 2e38  c\" points=\"844.8\n-000186a0: 332c 2d32 3930 2e31 3320 3833 342e 3236  3,-290.13 834.26\n-000186b0: 2c2d 3239 302e 3931 2038 3433 2e30 312c  ,-290.91 843.01,\n-000186c0: 2d32 3936 2e38 3920 3834 342e 3833 2c2d  -296.89 844.83,-\n-000186d0: 3239 302e 3133 222f 3e0a 3c2f 673e 0a3c  290.13\"/>.</g>.<\n-000186e0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-000186f0: 726f 6d61 6373 5f67 6d78 7072 6570 726f  romacs_gmxprepro\n-00018700: 6365 7373 2623 3435 3b26 6774 3b6d 6f64  cess&#45;&gt;mod\n-00018710: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00018720: 696d 6420 2d2d 3e0a 3c67 2069 643d 2265  imd -->.<g id=\"e\n-00018730: 6467 6531 3632 2220 636c 6173 733d 2265  dge162\" class=\"e\n-00018740: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-00018750: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00018760: 676d 7870 7265 7072 6f63 6573 7326 2334  gmxpreprocess&#4\n-00018770: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00018780: 5f67 726f 6d61 6373 5f69 6d64 3c2f 7469  _gromacs_imd</ti\n-00018790: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-000187a0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-000187b0: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n-000187c0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-000187d0: 3d22 4d31 3931 342e 3839 2c2d 3131 3630  =\"M1914.89,-1160\n-000187e0: 2e35 3243 3139 3831 2e36 392c 2d31 3135  .52C1981.69,-115\n-000187f0: 382e 3934 2032 3039 322e 3536 2c2d 3131  8.94 2092.56,-11\n-00018800: 3439 2e39 3920 3231 3739 2c2d 3131 3131  49.99 2179,-1111\n-00018810: 2e36 3620 3232 3237 2e33 2c2d 3130 3930  .66 2227.3,-1090\n-00018820: 2e32 3420 3232 3731 2c2d 3130 3839 2e32  .24 2271,-1089.2\n-00018830: 2032 3237 312c 2d31 3033 362e 3336 2032   2271,-1036.36 2\n-00018840: 3237 312c 2d31 3033 362e 3336 2032 3237  271,-1036.36 227\n-00018850: 312c 2d31 3033 362e 3336 2032 3237 312c  1,-1036.36 2271,\n-00018860: 2d34 3035 2e36 3620 3232 3731 2c2d 3336  -405.66 2271,-36\n-00018870: 382e 3735 2032 3236 342e 3139 2c2d 3335  8.75 2264.19,-35\n-00018880: 342e 3137 2032 3233 362c 2d33 3330 2e33  4.17 2236,-330.3\n-00018890: 3520 3231 3431 2e36 372c 2d32 3530 2e36  5 2141.67,-250.6\n-000188a0: 3520 3137 3534 2e36 352c 2d31 3831 2e35  5 1754.65,-181.5\n-000188b0: 3820 3136 3335 2e32 342c 2d31 3631 2e38  8 1635.24,-161.8\n-000188c0: 3322 2f3e 0a3c 706f 6c79 676f 6e20 6669  3\"/>.<polygon fi\n-000188d0: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n-000188e0: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n-000188f0: 696e 7473 3d22 3136 3335 2e36 322c 2d31  ints=\"1635.62,-1\n-00018900: 3538 2e33 3420 3136 3235 2e31 382c 2d31  58.34 1625.18,-1\n-00018910: 3630 2e31 3820 3136 3334 2e34 382c 2d31  60.18 1634.48,-1\n-00018920: 3635 2e32 3520 3136 3335 2e36 322c 2d31  65.25 1635.62,-1\n-00018930: 3538 2e33 3422 2f3e 0a3c 2f67 3e0a 3c21  58.34\"/>.</g>.<!\n-00018940: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00018950: 6f6d 6163 735f 676d 7870 7265 7072 6f63  omacs_gmxpreproc\n-00018960: 6573 7326 2334 353b 2667 743b 6d6f 6475  ess&#45;&gt;modu\n-00018970: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72  le_src_gromacs_r\n-00018980: 616e 646f 6d20 2d2d 3e0a 3c67 2069 643d  andom -->.<g id=\n-00018990: 2265 6467 6531 3535 2220 636c 6173 733d  \"edge155\" class=\n-000189a0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-000189b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-000189c0: 735f 676d 7870 7265 7072 6f63 6573 7326  s_gmxpreprocess&\n-000189d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-000189e0: 7263 5f67 726f 6d61 6373 5f72 616e 646f  rc_gromacs_rando\n-000189f0: 6d3c 2f74 6974 6c65 3e0a 3c70 6174 6820  m</title>.<path \n-00018a00: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-00018a10: 6b65 3d22 626c 6163 6b22 2073 7472 6f6b  ke=\"black\" strok\n-00018a20: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n-00018a30: 2220 643d 224d 3139 3132 2e35 332c 2d31  \" d=\"M1912.53,-1\n-00018a40: 3135 372e 3234 4332 3032 302e 3935 2c2d  157.24C2020.95,-\n-00018a50: 3131 3531 2e32 3420 3232 3439 2e37 352c  1151.24 2249.75,\n-00018a60: 2d31 3133 352e 3835 2032 3237 362c 2d31  -1135.85 2276,-1\n-00018a70: 3131 312e 3636 2032 3330 312e 312c 2d31  111.66 2301.1,-1\n-00018a80: 3038 382e 3534 2032 3239 312c 2d31 3037  088.54 2291,-107\n-00018a90: 302e 3438 2032 3239 312c 2d31 3033 362e  0.48 2291,-1036.\n-00018aa0: 3336 2032 3239 312c 2d31 3033 362e 3336  36 2291,-1036.36\n-00018ab0: 2032 3239 312c 2d31 3033 362e 3336 2032   2291,-1036.36 2\n-00018ac0: 3239 312c 2d32 3739 2e39 3220 3232 3931  291,-279.92 2291\n-00018ad0: 2c2d 3234 352e 3739 2032 3330 312e 3332  ,-245.79 2301.32\n-00018ae0: 2c2d 3232 372e 3439 2032 3237 362c 2d32  ,-227.49 2276,-2\n-00018af0: 3034 2e36 3120 3232 3133 2e38 392c 2d31  04.61 2213.89,-1\n-00018b00: 3438 2e34 3720 3139 3833 2e39 2c2d 3138  48.47 1983.9,-18\n-00018b10: 302e 3236 2031 3930 312c 2d31 3638 2e36  0.26 1901,-168.6\n-00018b20: 3120 3138 3932 2e30 362c 2d31 3637 2e33  1 1892.06,-167.3\n-00018b30: 3520 3138 3832 2e35 2c2d 3136 352e 3734  5 1882.5,-165.74\n-00018b40: 2031 3837 332e 3438 2c2d 3136 342e 3122   1873.48,-164.1\"\n-00018b50: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00018b60: 3d22 626c 6163 6b22 2073 7472 6f6b 653d  =\"black\" stroke=\n-00018b70: 2262 6c61 636b 2220 706f 696e 7473 3d22  \"black\" points=\"\n-00018b80: 3138 3734 2e30 372c 2d31 3630 2e36 3520  1874.07,-160.65 \n-00018b90: 3138 3633 2e35 392c 2d31 3632 2e32 3520  1863.59,-162.25 \n-00018ba0: 3138 3732 2e37 382c 2d31 3637 2e35 3320  1872.78,-167.53 \n-00018bb0: 3138 3734 2e30 372c 2d31 3630 2e36 3522  1874.07,-160.65\"\n-00018bc0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00018bd0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00018be0: 676d 7870 7265 7072 6f63 6573 7326 2334  gmxpreprocess&#4\n-00018bf0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00018c00: 5f67 726f 6d61 6373 5f65 7761 6c64 202d  _gromacs_ewald -\n-00018c10: 2d3e 0a3c 6720 6964 3d22 6564 6765 3136  ->.<g id=\"edge16\n-00018c20: 3022 2063 6c61 7373 3d22 6564 6765 223e  0\" class=\"edge\">\n-00018c30: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00018c40: 7263 5f67 726f 6d61 6373 5f67 6d78 7072  rc_gromacs_gmxpr\n-00018c50: 6570 726f 6365 7373 2623 3435 3b26 6774  eprocess&#45;&gt\n-00018c60: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00018c70: 6163 735f 6577 616c 643c 2f74 6974 6c65  acs_ewald</title\n-00018c80: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00018c90: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n-00018ca0: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n-00018cb0: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n-00018cc0: 3137 3939 2e30 312c 2d31 3135 372e 3843  1799.01,-1157.8C\n-00018cd0: 3137 3239 2e39 332c 2d31 3135 332e 3639  1729.93,-1153.69\n-00018ce0: 2031 3631 392e 3536 2c2d 3131 3432 2e33   1619.56,-1142.3\n-00018cf0: 3720 3135 3934 2c2d 3131 3131 2e36 3620  7 1594,-1111.66 \n-00018d00: 3135 3530 2e34 332c 2d31 3035 392e 3320  1550.43,-1059.3 \n-00018d10: 3135 3734 2e30 342c 2d31 3031 382e 3039  1574.04,-1018.09\n-00018d20: 2031 3630 382c 2d39 3539 2e30 3520 3136   1608,-959.05 16\n-00018d30: 3430 2e32 382c 2d39 3032 2e39 3220 3136  40.28,-902.92 16\n-00018d40: 3736 2e32 362c 2d39 3132 2e30 3620 3137  76.26,-912.06 17\n-00018d50: 3135 2c2d 3836 302e 3138 2031 3735 322e  15,-860.18 1752.\n-00018d60: 3238 2c2d 3831 302e 3236 2031 3735 362e  28,-810.26 1756.\n-00018d70: 3938 2c2d 3739 332e 3434 2031 3737 372c  98,-793.44 1777,\n-00018d80: 2d37 3334 2e34 3420 3138 3136 2e37 362c  -734.44 1816.76,\n-00018d90: 2d36 3137 2e32 3920 3138 3439 2e37 312c  -617.29 1849.71,\n-00018da0: 2d35 3536 2e31 3820 3137 3737 2c2d 3435  -556.18 1777,-45\n-00018db0: 362e 3039 2031 3632 362e 3132 2c2d 3234  6.09 1626.12,-24\n-00018dc0: 382e 3339 2031 3530 382e 3534 2c2d 3235  8.39 1508.54,-25\n-00018dd0: 352e 3932 2031 3235 372c 2d32 3034 2e36  5.92 1257,-204.6\n-00018de0: 3120 3132 3535 2e30 332c 2d32 3034 2e32  1 1255.03,-204.2\n-00018df0: 3120 3736 322e 3733 2c2d 3136 392e 3132  1 762.73,-169.12\n-00018e00: 2036 3139 2e36 2c2d 3135 382e 3932 222f   619.6,-158.92\"/\n-00018e10: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00018e20: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-00018e30: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n-00018e40: 733d 2236 3139 2e37 352c 2d31 3535 2e34  s=\"619.75,-155.4\n-00018e50: 3320 3630 392e 3532 2c2d 3135 382e 3231  3 609.52,-158.21\n-00018e60: 2036 3139 2e32 352c 2d31 3632 2e34 3120   619.25,-162.41 \n-00018e70: 3631 392e 3735 2c2d 3135 352e 3433 222f  619.75,-155.43\"/\n-00018e80: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00018e90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-00018ea0: 6d78 7072 6570 726f 6365 7373 2623 3435  mxpreprocess&#45\n-00018eb0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00018ec0: 6772 6f6d 6163 735f 6669 6c65 696f 202d  gromacs_fileio -\n-00018ed0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3134  ->.<g id=\"edge14\n-00018ee0: 3822 2063 6c61 7373 3d22 6564 6765 223e  8\" class=\"edge\">\n-00018ef0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00018f00: 7263 5f67 726f 6d61 6373 5f67 6d78 7072  rc_gromacs_gmxpr\n-00018f10: 6570 726f 6365 7373 2623 3435 3b26 6774  eprocess&#45;&gt\n-00018f20: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00018f30: 6163 735f 6669 6c65 696f 3c2f 7469 746c  acs_fileio</titl\n-00018f40: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00018f50: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n-00018f60: 6266 6266 2220 643d 224d 3138 3233 2e34  bfbf\" d=\"M1823.4\n-00018f70: 2c2d 3131 3439 2e38 3943 3138 3034 2e31  ,-1149.89C1804.1\n-00018f80: 2c2d 3131 3432 2e32 3620 3137 3830 2e36  ,-1142.26 1780.6\n-00018f90: 332c 2d31 3132 392e 3936 2031 3736 362c  3,-1129.96 1766,\n-00018fa0: 2d31 3131 312e 3636 2031 3732 312e 3834  -1111.66 1721.84\n-00018fb0: 2c2d 3130 3536 2e34 3320 3137 3731 2e36  ,-1056.43 1771.6\n-00018fc0: 2c2d 3130 3038 2e34 3520 3137 3231 2c2d  ,-1008.45 1721,-\n-00018fd0: 3935 392e 3035 2031 3638 362e 3334 2c2d  959.05 1686.34,-\n-00018fe0: 3932 352e 3232 2031 3632 392e 3434 2c2d  925.22 1629.44,-\n-00018ff0: 3931 342e 3739 2031 3539 322e 3039 2c2d  914.79 1592.09,-\n-00019000: 3931 312e 3731 222f 3e0a 3c70 6f6c 7967  911.71\"/>.<polyg\n-00019010: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n-00019020: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-00019030: 6622 2070 6f69 6e74 733d 2231 3539 322e  f\" points=\"1592.\n-00019040: 3333 2c2d 3930 382e 3232 2031 3538 322e  33,-908.22 1582.\n-00019050: 3131 2c2d 3931 312e 3032 2031 3539 312e  11,-911.02 1591.\n-00019060: 3835 2c2d 3931 352e 3220 3135 3932 2e33  85,-915.2 1592.3\n-00019070: 332c 2d39 3038 2e32 3222 2f3e 0a3c 2f67  3,-908.22\"/>.</g\n-00019080: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-00019090: 635f 6772 6f6d 6163 735f 676d 7870 7265  c_gromacs_gmxpre\n-000190a0: 7072 6f63 6573 7326 2334 353b 2667 743b  process&#45;&gt;\n-000190b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000190c0: 6373 5f61 7070 6c69 6564 5f66 6f72 6365  cs_applied_force\n-000190d0: 735f 6177 6820 2d2d 3e0a 3c67 2069 643d  s_awh -->.<g id=\n-000190e0: 2265 6467 6531 3437 2220 636c 6173 733d  \"edge147\" class=\n-000190f0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00019100: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00019110: 735f 676d 7870 7265 7072 6f63 6573 7326  s_gmxpreprocess&\n-00019120: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00019130: 7263 5f67 726f 6d61 6373 5f61 7070 6c69  rc_gromacs_appli\n-00019140: 6564 5f66 6f72 6365 735f 6177 683c 2f74  ed_forces_awh</t\n-00019150: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-00019160: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-00019170: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n-00019180: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n-00019190: 643d 224d 3139 3134 2e36 382c 2d31 3135  d=\"M1914.68,-115\n-000191a0: 392e 3737 4332 3030 312e 3231 2c2d 3131  9.77C2001.21,-11\n-000191b0: 3538 2032 3135 362e 3939 2c2d 3131 3439  58 2156.99,-1149\n-000191c0: 2e34 3820 3231 3936 2c2d 3131 3131 2e36  .48 2196,-1111.6\n-000191d0: 3620 3232 3631 2e31 312c 2d31 3034 382e  6 2261.11,-1048.\n-000191e0: 3533 2032 3233 312c 2d31 3030 312e 3331  53 2231,-1001.31\n-000191f0: 2032 3233 312c 2d39 3130 2e36 3220 3232   2231,-910.62 22\n-00019200: 3331 2c2d 3931 302e 3632 2032 3233 312c  31,-910.62 2231,\n-00019210: 2d39 3130 2e36 3220 3232 3331 2c2d 3834  -910.62 2231,-84\n-00019220: 352e 3735 2032 3233 312c 2d37 3231 2e33  5.75 2231,-721.3\n-00019230: 3920 3137 3839 2e31 312c 2d36 3237 2e35  9 1789.11,-627.5\n-00019240: 2031 3636 302e 3032 2c2d 3630 322e 3732   1660.02,-602.72\n-00019250: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-00019260: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n-00019270: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n-00019280: 6e74 733d 2231 3636 302e 3336 2c2d 3539  nts=\"1660.36,-59\n-00019290: 392e 3232 2031 3634 392e 3839 2c2d 3630  9.22 1649.89,-60\n-000192a0: 302e 3820 3136 3539 2e30 362c 2d36 3036  0.8 1659.06,-606\n-000192b0: 2e31 2031 3636 302e 3336 2c2d 3539 392e  .1 1660.36,-599.\n-000192c0: 3232 222f 3e0a 3c2f 673e 0a3c 212d 2d20  22\"/>.</g>.<!-- \n-000192d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000192e0: 6373 5f67 6d78 7072 6570 726f 6365 7373  cs_gmxpreprocess\n-000192f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00019300: 7372 635f 7465 7374 7574 696c 7320 2d2d  src_testutils --\n-00019310: 3e0a 3c67 2069 643d 2265 6467 6531 3634  >.<g id=\"edge164\n-00019320: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-00019330: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00019340: 635f 6772 6f6d 6163 735f 676d 7870 7265  c_gromacs_gmxpre\n-00019350: 7072 6f63 6573 7326 2334 353b 2667 743b  process&#45;&gt;\n-00019360: 6d6f 6475 6c65 5f73 7263 5f74 6573 7475  module_src_testu\n-00019370: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061  tils</title>.<pa\n-00019380: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-00019390: 7472 6f6b 653d 2272 6564 2220 643d 224d  troke=\"red\" d=\"M\n-000193a0: 3139 3134 2e30 362c 2d31 3135 382e 3935  1914.06,-1158.95\n-000193b0: 4332 3030 372e 3939 2c2d 3131 3536 2e31  C2007.99,-1156.1\n-000193c0: 3120 3231 3938 2e36 322c 2d31 3134 362e  1 2198.62,-1146.\n-000193d0: 3220 3233 3536 2c2d 3131 3131 2e36 3620  2 2356,-1111.66 \n-000193e0: 3234 3535 2e33 2c2d 3130 3839 2e38 3720  2455.3,-1089.87 \n-000193f0: 3235 3732 2c2d 3131 3338 2e30 3220 3235  2572,-1138.02 25\n-00019400: 3732 2c2d 3130 3336 2e33 3620 3235 3732  72,-1036.36 2572\n-00019410: 2c2d 3130 3336 2e33 3620 3235 3732 2c2d  ,-1036.36 2572,-\n-00019420: 3130 3336 2e33 3620 3235 3732 2c2d 3635  1036.36 2572,-65\n-00019430: 372e 3134 2032 3537 322c 2d36 3132 2e38  7.14 2572,-612.8\n-00019440: 3220 3235 3334 2e32 2c2d 3537 332e 3137  2 2534.2,-573.17\n-00019450: 2032 3530 382e 3433 2c2d 3535 312e 3238   2508.43,-551.28\n-00019460: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-00019470: 6c3d 2272 6564 2220 7374 726f 6b65 3d22  l=\"red\" stroke=\"\n-00019480: 7265 6422 2070 6f69 6e74 733d 2232 3531  red\" points=\"251\n-00019490: 302e 352c 2d35 3438 2e34 3520 3235 3030  0.5,-548.45 2500\n-000194a0: 2e35 352c 2d35 3434 2e38 3220 3235 3036  .55,-544.82 2506\n-000194b0: 2e30 372c 2d35 3533 2e38 3620 3235 3130  .07,-553.86 2510\n-000194c0: 2e35 2c2d 3534 382e 3435 222f 3e0a 3c2f  .5,-548.45\"/>.</\n-000194d0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-000194e0: 7263 5f67 726f 6d61 6373 5f61 6e61 6c79  rc_gromacs_analy\n-000194f0: 7369 7364 6174 6120 2d2d 3e0a 3c67 2069  sisdata -->.<g i\n-00019500: 643d 226e 6f64 6532 3322 2063 6c61 7373  d=\"node23\" class\n-00019510: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e  =\"node\">.<title>\n-00019520: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00019530: 6373 5f61 6e61 6c79 7369 7364 6174 613c  cs_analysisdata<\n-00019540: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261  /title>.<g id=\"a\n-00019550: 5f6e 6f64 6532 3322 3e3c 6120 786c 696e  _node23\"><a xlin\n-00019560: 6b3a 6872 6566 3d22 6772 6f75 705f 5f6d  k:href=\"group__m\n-00019570: 6f64 756c 655f 5f61 6e61 6c79 7369 7364  odule__analysisd\n-00019580: 6174 612e 7868 746d 6c22 2074 6172 6765  ata.xhtml\" targe\n-00019590: 743d 225f 746f 7022 2078 6c69 6e6b 3a74  t=\"_top\" xlink:t\n-000195a0: 6974 6c65 3d22 616e 616c 7973 6973 6461  itle=\"analysisda\n-000195b0: 7461 223e 0a3c 656c 6c69 7073 6520 6669  ta\">.<ellipse fi\n-000195c0: 6c6c 3d22 2366 6663 6363 6322 2073 7472  ll=\"#ffcccc\" str\n-000195d0: 6f6b 653d 2262 6c61 636b 2220 6378 3d22  oke=\"black\" cx=\"\n-000195e0: 3132 3838 2220 6379 3d22 2d39 3732 2e34  1288\" cy=\"-972.4\n-000195f0: 3922 2072 783d 2235 302e 3431 2220 7279  9\" rx=\"50.41\" ry\n-00019600: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874  =\"13.37\"/>.<text\n-00019610: 2074 6578 742d 616e 6368 6f72 3d22 6d69   text-anchor=\"mi\n-00019620: 6464 6c65 2220 783d 2231 3238 3822 2079  ddle\" x=\"1288\" y\n-00019630: 3d22 2d39 3639 2e39 3922 2066 6f6e 742d  =\"-969.99\" font-\n-00019640: 6661 6d69 6c79 3d22 4672 6565 5361 6e73  family=\"FreeSans\n-00019650: 2220 666f 6e74 2d73 697a 653d 2231 302e  \" font-size=\"10.\n-00019660: 3030 223e 616e 616c 7973 6973 6461 7461  00\">analysisdata\n-00019670: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67  </text>.</a>.</g\n-00019680: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00019690: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61  le_src_gromacs_a\n-000196a0: 6e61 6c79 7369 7364 6174 6126 2334 353b  nalysisdata&#45;\n-000196b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-000196c0: 726f 6d61 6373 5f66 696c 6569 6f20 2d2d  romacs_fileio --\n-000196d0: 3e0a 3c67 2069 643d 2265 6467 6531 3635  >.<g id=\"edge165\n-000196e0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-000196f0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00019700: 635f 6772 6f6d 6163 735f 616e 616c 7973  c_gromacs_analys\n-00019710: 6973 6461 7461 2623 3435 3b26 6774 3b6d  isdata&#45;&gt;m\n-00019720: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00019730: 735f 6669 6c65 696f 3c2f 7469 746c 653e  s_fileio</title>\n-00019740: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-00019750: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n-00019760: 6266 2220 643d 224d 3133 3234 2e35 372c  bf\" d=\"M1324.57,\n-00019770: 2d39 3633 2e31 3543 3133 3736 2e34 332c  -963.15C1376.43,\n-00019780: 2d39 3531 2e33 3320 3134 3730 2e36 362c  -951.33 1470.66,\n-00019790: 2d39 3239 2e38 3420 3135 3231 2e30 352c  -929.84 1521.05,\n-000197a0: 2d39 3138 2e33 3522 2f3e 0a3c 706f 6c79  -918.35\"/>.<poly\n-000197b0: 676f 6e20 6669 6c6c 3d22 2362 6662 6662  gon fill=\"#bfbfb\n-000197c0: 6622 2073 7472 6f6b 653d 2223 6266 6266  f\" stroke=\"#bfbf\n-000197d0: 6266 2220 706f 696e 7473 3d22 3135 3232  bf\" points=\"1522\n-000197e0: 2e31 342c 2d39 3231 2e37 2031 3533 312e  .14,-921.7 1531.\n-000197f0: 3131 2c2d 3931 362e 3036 2031 3532 302e  11,-916.06 1520.\n-00019800: 3538 2c2d 3931 342e 3837 2031 3532 322e  58,-914.87 1522.\n-00019810: 3134 2c2d 3932 312e 3722 2f3e 0a3c 2f67  14,-921.7\"/>.</g\n-00019820: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-00019830: 635f 6772 6f6d 6163 735f 6861 7264 7761  c_gromacs_hardwa\n-00019840: 7265 2623 3435 3b26 6774 3b6d 6f64 756c  re&#45;&gt;modul\n-00019850: 655f 7372 635f 6772 6f6d 6163 735f 6770  e_src_gromacs_gp\n-00019860: 755f 7574 696c 7320 2d2d 3e0a 3c67 2069  u_utils -->.<g i\n-00019870: 643d 2265 6467 6531 3636 2220 636c 6173  d=\"edge166\" clas\n-00019880: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-00019890: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-000198a0: 6163 735f 6861 7264 7761 7265 2623 3435  acs_hardware&#45\n-000198b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-000198c0: 6772 6f6d 6163 735f 6770 755f 7574 696c  gromacs_gpu_util\n-000198d0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820  s</title>.<path \n-000198e0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-000198f0: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n-00019900: 4d34 3739 2e35 332c 2d34 3538 2e36 3143  M479.53,-458.61C\n-00019910: 3530 382e 3639 2c2d 3434 372e 3832 2035  508.69,-447.82 5\n-00019920: 3538 2e34 332c 2d34 3330 2e35 3820 3539  58.43,-430.58 59\n-00019930: 332e 3232 2c2d 3431 392e 3139 222f 3e0a  3.22,-419.19\"/>.\n-00019940: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-00019950: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n-00019960: 2362 6662 6662 6622 2070 6f69 6e74 733d  #bfbfbf\" points=\n-00019970: 2235 3934 2e36 322c 2d34 3232 2e34 3220  \"594.62,-422.42 \n-00019980: 3630 332e 3036 2c2d 3431 3620 3539 322e  603.06,-416 592.\n-00019990: 3436 2c2d 3431 352e 3736 2035 3934 2e36  46,-415.76 594.6\n-000199a0: 322c 2d34 3232 2e34 3222 2f3e 0a3c 2f67  2,-422.42\"/>.</g\n-000199b0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-000199c0: 635f 6772 6f6d 6163 735f 7472 616a 6563  c_gromacs_trajec\n-000199d0: 746f 7279 616e 616c 7973 6973 202d 2d3e  toryanalysis -->\n-000199e0: 0a3c 6720 6964 3d22 6e6f 6465 3236 2220  .<g id=\"node26\" \n-000199f0: 636c 6173 733d 226e 6f64 6522 3e0a 3c74  class=\"node\">.<t\n-00019a00: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00019a10: 6772 6f6d 6163 735f 7472 616a 6563 746f  gromacs_trajecto\n-00019a20: 7279 616e 616c 7973 6973 3c2f 7469 746c  ryanalysis</titl\n-00019a30: 653e 0a3c 6720 6964 3d22 615f 6e6f 6465  e>.<g id=\"a_node\n-00019a40: 3236 223e 3c61 2078 6c69 6e6b 3a68 7265  26\"><a xlink:hre\n-00019a50: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65  f=\"group__module\n-00019a60: 5f5f 7472 616a 6563 746f 7279 616e 616c  __trajectoryanal\n-00019a70: 7973 6973 2e78 6874 6d6c 2220 7461 7267  ysis.xhtml\" targ\n-00019a80: 6574 3d22 5f74 6f70 2220 786c 696e 6b3a  et=\"_top\" xlink:\n-00019a90: 7469 746c 653d 2274 7261 6a65 6374 6f72  title=\"trajector\n-00019aa0: 7961 6e61 6c79 7369 7322 3e0a 3c65 6c6c  yanalysis\">.<ell\n-00019ab0: 6970 7365 2066 696c 6c3d 2223 6666 6363  ipse fill=\"#ffcc\n-00019ac0: 6363 2220 7374 726f 6b65 3d22 626c 6163  cc\" stroke=\"blac\n-00019ad0: 6b22 2063 783d 2231 3338 3722 2063 793d  k\" cx=\"1387\" cy=\n-00019ae0: 222d 3130 3335 2e33 3622 2072 783d 2236  \"-1035.36\" rx=\"6\n-00019af0: 352e 3131 2220 7279 3d22 3133 2e33 3722  5.11\" ry=\"13.37\"\n-00019b00: 2f3e 0a3c 7465 7874 2074 6578 742d 616e  />.<text text-an\n-00019b10: 6368 6f72 3d22 6d69 6464 6c65 2220 783d  chor=\"middle\" x=\n-00019b20: 2231 3338 3722 2079 3d22 2d31 3033 322e  \"1387\" y=\"-1032.\n-00019b30: 3836 2220 666f 6e74 2d66 616d 696c 793d  86\" font-family=\n-00019b40: 2246 7265 6553 616e 7322 2066 6f6e 742d  \"FreeSans\" font-\n-00019b50: 7369 7a65 3d22 3130 2e30 3022 3e74 7261  size=\"10.00\">tra\n-00019b60: 6a65 6374 6f72 7961 6e61 6c79 7369 733c  jectoryanalysis<\n-00019b70: 2f74 6578 743e 0a3c 2f61 3e0a 3c2f 673e  /text>.</a>.</g>\n-00019b80: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00019b90: 655f 7372 635f 6772 6f6d 6163 735f 7472  e_src_gromacs_tr\n-00019ba0: 616a 6563 746f 7279 616e 616c 7973 6973  ajectoryanalysis\n-00019bb0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00019bc0: 7372 635f 6772 6f6d 6163 735f 676d 7861  src_gromacs_gmxa\n-00019bd0: 6e61 202d 2d3e 0a3c 6720 6964 3d22 6564  na -->.<g id=\"ed\n-00019be0: 6765 3137 3222 2063 6c61 7373 3d22 6564  ge172\" class=\"ed\n-00019bf0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-00019c00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n-00019c10: 7261 6a65 6374 6f72 7961 6e61 6c79 7369  rajectoryanalysi\n-00019c20: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-00019c30: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n-00019c40: 616e 613c 2f74 6974 6c65 3e0a 3c70 6174  ana</title>.<pat\n-00019c50: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00019c60: 726f 6b65 3d22 2332 6363 6332 3822 2073  roke=\"#2ccc28\" s\n-00019c70: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n-00019c80: 2235 2c32 2220 643d 224d 3134 3236 2e37  \"5,2\" d=\"M1426.7\n-00019c90: 362c 2d31 3034 362e 3033 4331 3435 362e  6,-1046.03C1456.\n-00019ca0: 3739 2c2d 3130 3533 2e35 3220 3134 3939  79,-1053.52 1499\n-00019cb0: 2e31 352c 2d31 3036 322e 3837 2031 3533  .15,-1062.87 153\n-00019cc0: 372c 2d31 3036 362e 3739 2031 3632 332e  7,-1066.79 1623.\n-00019cd0: 322c 2d31 3037 352e 3733 2031 3634 352e  2,-1075.73 1645.\n-00019ce0: 3731 2c2d 3130 3734 2e38 3920 3137 3332  71,-1074.89 1732\n-00019cf0: 2c2d 3130 3636 2e37 3920 3137 3735 2e36  ,-1066.79 1775.6\n-00019d00: 372c 2d31 3036 322e 3639 2031 3832 342e  7,-1062.69 1824.\n-00019d10: 3936 2c2d 3130 3532 2e36 3620 3138 3538  96,-1052.66 1858\n-00019d20: 2e34 2c2d 3130 3435 2e30 3222 2f3e 0a3c  .4,-1045.02\"/>.<\n-00019d30: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n-00019d40: 6363 6332 3822 2073 7472 6f6b 653d 2223  ccc28\" stroke=\"#\n-00019d50: 3263 6363 3238 2220 706f 696e 7473 3d22  2ccc28\" points=\"\n-00019d60: 3138 3539 2e33 2c2d 3130 3438 2e34 2031  1859.3,-1048.4 1\n-00019d70: 3836 382e 3235 2c2d 3130 3432 2e37 3320  868.25,-1042.73 \n-00019d80: 3138 3537 2e37 322c 2d31 3034 312e 3538  1857.72,-1041.58\n-00019d90: 2031 3835 392e 332c 2d31 3034 382e 3422   1859.3,-1048.4\"\n-00019da0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00019db0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00019dc0: 7472 616a 6563 746f 7279 616e 616c 7973  trajectoryanalys\n-00019dd0: 6973 2623 3435 3b26 6774 3b6d 6f64 756c  is&#45;&gt;modul\n-00019de0: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n-00019df0: 7870 7265 7072 6f63 6573 7320 2d2d 3e0a  xpreprocess -->.\n-00019e00: 3c67 2069 643d 2265 6467 6531 3730 2220  <g id=\"edge170\" \n-00019e10: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-00019e20: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00019e30: 6772 6f6d 6163 735f 7472 616a 6563 746f  gromacs_trajecto\n-00019e40: 7279 616e 616c 7973 6973 2623 3435 3b26  ryanalysis&#45;&\n-00019e50: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00019e60: 6f6d 6163 735f 676d 7870 7265 7072 6f63  omacs_gmxpreproc\n-00019e70: 6573 733c 2f74 6974 6c65 3e0a 3c70 6174  ess</title>.<pat\n-00019e80: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00019e90: 726f 6b65 3d22 2332 6363 6332 3822 2073  roke=\"#2ccc28\" s\n-00019ea0: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n-00019eb0: 2235 2c32 2220 643d 224d 3134 3235 2e30  \"5,2\" d=\"M1425.0\n-00019ec0: 322c 2d31 3034 362e 3339 4331 3531 302e  2,-1046.39C1510.\n-00019ed0: 3337 2c2d 3130 3638 2e39 3120 3137 3136  37,-1068.91 1716\n-00019ee0: 2e39 382c 2d31 3132 332e 3432 2031 3830  .98,-1123.42 180\n-00019ef0: 392e 3636 2c2d 3131 3437 2e38 3722 2f3e  9.66,-1147.87\"/>\n-00019f00: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-00019f10: 2332 6363 6332 3822 2073 7472 6f6b 653d  #2ccc28\" stroke=\n-00019f20: 2223 3263 6363 3238 2220 706f 696e 7473  \"#2ccc28\" points\n-00019f30: 3d22 3138 3039 2e30 332c 2d31 3135 312e  =\"1809.03,-1151.\n-00019f40: 3332 2031 3831 392e 3539 2c2d 3131 3530  32 1819.59,-1150\n-00019f50: 2e34 3920 3138 3130 2e38 312c 2d31 3134  .49 1810.81,-114\n-00019f60: 342e 3535 2031 3830 392e 3033 2c2d 3131  4.55 1809.03,-11\n-00019f70: 3531 2e33 3222 2f3e 0a3c 2f67 3e0a 3c21  51.32\"/>.</g>.<!\n-00019f80: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00019f90: 6f6d 6163 735f 7472 616a 6563 746f 7279  omacs_trajectory\n-00019fa0: 616e 616c 7973 6973 2623 3435 3b26 6774  analysis&#45;&gt\n-00019fb0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00019fc0: 6163 735f 616e 616c 7973 6973 6461 7461  acs_analysisdata\n-00019fd0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-00019fe0: 3136 3922 2063 6c61 7373 3d22 6564 6765  169\" class=\"edge\n-00019ff0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-0001a000: 5f73 7263 5f67 726f 6d61 6373 5f74 7261  _src_gromacs_tra\n-0001a010: 6a65 6374 6f72 7961 6e61 6c79 7369 7326  jectoryanalysis&\n-0001a020: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0001a030: 7263 5f67 726f 6d61 6373 5f61 6e61 6c79  rc_gromacs_analy\n-0001a040: 7369 7364 6174 613c 2f74 6974 6c65 3e0a  sisdata</title>.\n-0001a050: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-0001a060: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-0001a070: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n-0001a080: 7261 793d 2235 2c32 2220 643d 224d 3133  ray=\"5,2\" d=\"M13\n-0001a090: 3637 2e34 342c 2d31 3032 322e 3333 4331  67.44,-1022.33C1\n-0001a0a0: 3335 322e 3631 2c2d 3130 3133 2e32 3120  352.61,-1013.21 \n-0001a0b0: 3133 3332 2e30 332c 2d31 3030 302e 3535  1332.03,-1000.55\n-0001a0c0: 2031 3331 352e 3533 2c2d 3939 302e 3431   1315.53,-990.41\n-0001a0d0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-0001a0e0: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n-0001a0f0: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n-0001a100: 6e74 733d 2231 3331 372e 322c 2d39 3837  nts=\"1317.2,-987\n-0001a110: 2e33 3320 3133 3036 2e38 352c 2d39 3835  .33 1306.85,-985\n-0001a120: 2e30 3720 3133 3133 2e35 332c 2d39 3933  .07 1313.53,-993\n-0001a130: 2e32 3920 3133 3137 2e32 2c2d 3938 372e  .29 1317.2,-987.\n-0001a140: 3333 222f 3e0a 3c2f 673e 0a3c 212d 2d20  33\"/>.</g>.<!-- \n-0001a150: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001a160: 6373 5f63 6f6f 7264 696e 6174 6569 6f20  cs_coordinateio \n-0001a170: 2d2d 3e0a 3c67 2069 643d 226e 6f64 6533  -->.<g id=\"node3\n-0001a180: 3122 2063 6c61 7373 3d22 6e6f 6465 223e  1\" class=\"node\">\n-0001a190: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-0001a1a0: 7263 5f67 726f 6d61 6373 5f63 6f6f 7264  rc_gromacs_coord\n-0001a1b0: 696e 6174 6569 6f3c 2f74 6974 6c65 3e0a  inateio</title>.\n-0001a1c0: 3c67 2069 643d 2261 5f6e 6f64 6533 3122  <g id=\"a_node31\"\n-0001a1d0: 3e3c 6120 786c 696e 6b3a 6872 6566 3d22  ><a xlink:href=\"\n-0001a1e0: 6772 6f75 705f 5f6d 6f64 756c 655f 5f63  group__module__c\n-0001a1f0: 6f6f 7264 696e 6174 6569 6f2e 7868 746d  oordinateio.xhtm\n-0001a200: 6c22 2074 6172 6765 743d 225f 746f 7022  l\" target=\"_top\"\n-0001a210: 2078 6c69 6e6b 3a74 6974 6c65 3d22 636f   xlink:title=\"co\n-0001a220: 6f72 6469 6e61 7465 696f 223e 0a3c 656c  ordinateio\">.<el\n-0001a230: 6c69 7073 6520 6669 6c6c 3d22 2366 6663  lipse fill=\"#ffc\n-0001a240: 6363 6322 2073 7472 6f6b 653d 2262 6c61  ccc\" stroke=\"bla\n-0001a250: 636b 2220 6378 3d22 3134 3635 2220 6379  ck\" cx=\"1465\" cy\n-0001a260: 3d22 2d39 3732 2e34 3922 2072 783d 2234  =\"-972.49\" rx=\"4\n-0001a270: 382e 3538 2220 7279 3d22 3133 2e33 3722  8.58\" ry=\"13.37\"\n-0001a280: 2f3e 0a3c 7465 7874 2074 6578 742d 616e  />.<text text-an\n-0001a290: 6368 6f72 3d22 6d69 6464 6c65 2220 783d  chor=\"middle\" x=\n-0001a2a0: 2231 3436 3522 2079 3d22 2d39 3639 2e39  \"1465\" y=\"-969.9\n-0001a2b0: 3922 2066 6f6e 742d 6661 6d69 6c79 3d22  9\" font-family=\"\n-0001a2c0: 4672 6565 5361 6e73 2220 666f 6e74 2d73  FreeSans\" font-s\n-0001a2d0: 697a 653d 2231 302e 3030 223e 636f 6f72  ize=\"10.00\">coor\n-0001a2e0: 6469 6e61 7465 696f 3c2f 7465 7874 3e0a  dinateio</text>.\n-0001a2f0: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c  </a>.</g>.</g>.<\n-0001a300: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-0001a310: 726f 6d61 6373 5f74 7261 6a65 6374 6f72  romacs_trajector\n-0001a320: 7961 6e61 6c79 7369 7326 2334 353b 2667  yanalysis&#45;&g\n-0001a330: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0001a340: 6d61 6373 5f63 6f6f 7264 696e 6174 6569  macs_coordinatei\n-0001a350: 6f20 2d2d 3e0a 3c67 2069 643d 2265 6467  o -->.<g id=\"edg\n-0001a360: 6531 3733 2220 636c 6173 733d 2265 6467  e173\" class=\"edg\n-0001a370: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-0001a380: 655f 7372 635f 6772 6f6d 6163 735f 7472  e_src_gromacs_tr\n-0001a390: 616a 6563 746f 7279 616e 616c 7973 6973  ajectoryanalysis\n-0001a3a0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0001a3b0: 7372 635f 6772 6f6d 6163 735f 636f 6f72  src_gromacs_coor\n-0001a3c0: 6469 6e61 7465 696f 3c2f 7469 746c 653e  dinateio</title>\n-0001a3d0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-0001a3e0: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n-0001a3f0: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n-0001a400: 7272 6179 3d22 352c 3222 2064 3d22 4d31  rray=\"5,2\" d=\"M1\n-0001a410: 3430 322e 3738 2c2d 3130 3232 2e30 3443  402.78,-1022.04C\n-0001a420: 3134 3133 2e39 322c 2d31 3031 332e 3334  1413.92,-1013.34\n-0001a430: 2031 3432 392e 3034 2c2d 3130 3031 2e35   1429.04,-1001.5\n-0001a440: 3520 3134 3431 2e35 382c 2d39 3931 2e37  5 1441.58,-991.7\n-0001a450: 3622 2f3e 0a3c 706f 6c79 676f 6e20 6669  6\"/>.<polygon fi\n-0001a460: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n-0001a470: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n-0001a480: 696e 7473 3d22 3134 3434 2e30 342c 2d39  ints=\"1444.04,-9\n-0001a490: 3934 2e32 3820 3134 3439 2e37 372c 2d39  94.28 1449.77,-9\n-0001a4a0: 3835 2e33 3720 3134 3339 2e37 332c 2d39  85.37 1439.73,-9\n-0001a4b0: 3838 2e37 3620 3134 3434 2e30 342c 2d39  88.76 1444.04,-9\n-0001a4c0: 3934 2e32 3822 2f3e 0a3c 2f67 3e0a 3c21  94.28\"/>.</g>.<!\n-0001a4d0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-0001a4e0: 6f6d 6163 735f 7472 616a 6563 746f 7279  omacs_trajectory\n-0001a4f0: 616e 616c 7973 6973 2623 3435 3b26 6774  analysis&#45;&gt\n-0001a500: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0001a510: 6163 735f 636f 6d6d 616e 646c 696e 6520  acs_commandline \n-0001a520: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n-0001a530: 3637 2220 636c 6173 733d 2265 6467 6522  67\" class=\"edge\"\n-0001a540: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-0001a550: 7372 635f 6772 6f6d 6163 735f 7472 616a  src_gromacs_traj\n-0001a560: 6563 746f 7279 616e 616c 7973 6973 2623  ectoryanalysis&#\n-0001a570: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0001a580: 635f 6772 6f6d 6163 735f 636f 6d6d 616e  c_gromacs_comman\n-0001a590: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70  dline</title>.<p\n-0001a5a0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-0001a5b0: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-0001a5c0: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-0001a5d0: 793d 2235 2c32 2220 643d 224d 3133 3838  y=\"5,2\" d=\"M1388\n-0001a5e0: 2e36 372c 2d31 3032 312e 3832 4331 3339  .67,-1021.82C139\n-0001a5f0: 312e 3438 2c2d 3130 3032 2e36 3620 3133  1.48,-1002.66 13\n-0001a600: 3937 2e37 392c 2d39 3637 2e34 3220 3134  97.79,-967.42 14\n-0001a610: 3037 2c2d 3935 392e 3035 2031 3438 302e  07,-959.05 1480.\n-0001a620: 3034 2c2d 3839 322e 3735 2031 3532 392e  04,-892.75 1529.\n-0001a630: 3839 2c2d 3934 352e 3234 2031 3632 362c  89,-945.24 1626,\n-0001a640: 2d39 3233 2e30 3520 3137 3230 2e39 332c  -923.05 1720.93,\n-0001a650: 2d39 3031 2e31 3320 3137 3437 2e32 382c  -901.13 1747.28,\n-0001a660: 2d39 3030 2e34 3520 3138 3336 2c2d 3836  -900.45 1836,-86\n-0001a670: 302e 3138 2031 3838 332e 382c 2d38 3338  0.18 1883.8,-838\n-0001a680: 2e34 3820 3138 3939 2e36 362c 2d38 3335  .48 1899.66,-835\n-0001a690: 2e32 2031 3933 362c 2d37 3937 2e33 3120  .2 1936,-797.31 \n-0001a6a0: 3230 3037 2e32 362c 2d37 3233 2e30 3220  2007.26,-723.02 \n-0001a6b0: 3230 3531 2c2d 3639 392e 3220 3230 3531  2051,-699.2 2051\n-0001a6c0: 2c2d 3539 362e 3237 2032 3035 312c 2d35  ,-596.27 2051,-5\n-0001a6d0: 3936 2e32 3720 3230 3531 2c2d 3539 362e  96.27 2051,-596.\n-0001a6e0: 3237 2032 3035 312c 2d35 3331 2e34 2032  27 2051,-531.4 2\n-0001a6f0: 3035 312c 2d34 3437 2e39 3820 3230 3731  051,-447.98 2071\n-0001a700: 2c2d 3432 382e 3220 3230 3731 2c2d 3334  ,-428.2 2071,-34\n-0001a710: 342e 3739 2032 3037 312c 2d33 3434 2e37  4.79 2071,-344.7\n-0001a720: 3920 3230 3731 2c2d 3334 342e 3739 2032  9 2071,-344.79 2\n-0001a730: 3037 312c 2d32 3739 2e39 3220 3230 3731  071,-279.92 2071\n-0001a740: 2c2d 3231 372e 3733 2032 3038 392e 3231  ,-217.73 2089.21\n-0001a750: 2c2d 3138 392e 3138 2032 3034 392c 2d31  ,-189.18 2049,-1\n-0001a760: 3431 2e37 3420 3230 3237 2e38 2c2d 3131  41.74 2027.8,-11\n-0001a770: 362e 3733 2031 3939 332e 3239 2c2d 3130  6.73 1993.29,-10\n-0001a780: 342e 3538 2031 3936 332e 3236 2c2d 3938  4.58 1963.26,-98\n-0001a790: 2e37 222f 3e0a 3c70 6f6c 7967 6f6e 2066  .7\"/>.<polygon f\n-0001a7a0: 696c 6c3d 2223 3238 3266 6363 2220 7374  ill=\"#282fcc\" st\n-0001a7b0: 726f 6b65 3d22 2332 3832 6663 6322 2070  roke=\"#282fcc\" p\n-0001a7c0: 6f69 6e74 733d 2231 3936 332e 3733 2c2d  oints=\"1963.73,-\n-0001a7d0: 3935 2e32 3320 3139 3533 2e32 372c 2d39  95.23 1953.27,-9\n-0001a7e0: 362e 3934 2031 3936 322e 3531 2c2d 3130  6.94 1962.51,-10\n-0001a7f0: 322e 3132 2031 3936 332e 3733 2c2d 3935  2.12 1963.73,-95\n-0001a800: 2e32 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .23\"/>.</g>.<!--\n-0001a810: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-0001a820: 6163 735f 7472 616a 6563 746f 7279 616e  acs_trajectoryan\n-0001a830: 616c 7973 6973 2623 3435 3b26 6774 3b6d  alysis&#45;&gt;m\n-0001a840: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0001a850: 735f 7261 6e64 6f6d 202d 2d3e 0a3c 6720  s_random -->.<g \n-0001a860: 6964 3d22 6564 6765 3137 3122 2063 6c61  id=\"edge171\" cla\n-0001a870: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-0001a880: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-0001a890: 6d61 6373 5f74 7261 6a65 6374 6f72 7961  macs_trajectorya\n-0001a8a0: 6e61 6c79 7369 7326 2334 353b 2667 743b  nalysis&#45;&gt;\n-0001a8b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001a8c0: 6373 5f72 616e 646f 6d3c 2f74 6974 6c65  cs_random</title\n-0001a8d0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-0001a8e0: 6e65 2220 7374 726f 6b65 3d22 626c 6163  ne\" stroke=\"blac\n-0001a8f0: 6b22 2073 7472 6f6b 652d 6461 7368 6172  k\" stroke-dashar\n-0001a900: 7261 793d 2235 2c32 2220 643d 224d 3133  ray=\"5,2\" d=\"M13\n-0001a910: 3833 2e36 362c 2d31 3032 312e 3933 4331  83.66,-1021.93C1\n-0001a920: 3338 302e 3034 2c2d 3130 3035 2e33 3920  380.04,-1005.39 \n-0001a930: 3133 3736 2e36 342c 2d39 3736 2e32 3520  1376.64,-976.25 \n-0001a940: 3133 3932 2c2d 3935 392e 3035 2031 3435  1392,-959.05 145\n-0001a950: 312e 3838 2c2d 3839 322e 3032 2031 3530  1.88,-892.02 150\n-0001a960: 362e 3939 2c2d 3935 352e 3031 2031 3539  6.99,-955.01 159\n-0001a970: 312c 2d39 3233 2e30 3520 3137 3031 2e30  1,-923.05 1701.0\n-0001a980: 342c 2d38 3831 2e31 3920 3137 3233 2e37  4,-881.19 1723.7\n-0001a990: 332c 2d38 3339 2e34 3320 3137 3737 2c2d  3,-839.43 1777,-\n-0001a9a0: 3733 342e 3434 2031 3835 332e 3837 2c2d  734.44 1853.87,-\n-0001a9b0: 3538 322e 3932 2031 3833 372e 322c 2d35  582.92 1837.2,-5\n-0001a9c0: 3237 2e31 3120 3138 3339 2c2d 3335 372e  27.11 1839,-357.\n-0001a9d0: 3232 2031 3833 392e 3732 2c2d 3238 392e  22 1839.72,-289.\n-0001a9e0: 3420 3138 3432 2e34 392c 2d32 3732 2e33  4 1842.49,-272.3\n-0001a9f0: 3520 3138 3339 2c2d 3230 342e 3631 2031  5 1839,-204.61 1\n-0001aa00: 3833 382e 3537 2c2d 3139 362e 3235 2031  838.57,-196.25 1\n-0001aa10: 3833 372e 3732 2c2d 3138 372e 3132 2031  837.72,-187.12 1\n-0001aa20: 3833 362e 3835 2c2d 3137 392e 3035 222f  836.85,-179.05\"/\n-0001aa30: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-0001aa40: 2262 6c61 636b 2220 7374 726f 6b65 3d22  \"black\" stroke=\"\n-0001aa50: 626c 6163 6b22 2070 6f69 6e74 733d 2231  black\" points=\"1\n-0001aa60: 3834 302e 332c 2d31 3738 2e34 3320 3138  840.3,-178.43 18\n-0001aa70: 3335 2e36 372c 2d31 3638 2e38 3920 3138  35.67,-168.89 18\n-0001aa80: 3333 2e33 352c 2d31 3739 2e32 3320 3138  33.35,-179.23 18\n-0001aa90: 3430 2e33 2c2d 3137 382e 3433 222f 3e0a  40.3,-178.43\"/>.\n-0001aaa0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-0001aab0: 5f73 7263 5f67 726f 6d61 6373 5f74 7261  _src_gromacs_tra\n-0001aac0: 6a65 6374 6f72 7961 6e61 6c79 7369 7326  jectoryanalysis&\n-0001aad0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0001aae0: 7263 5f67 726f 6d61 6373 5f66 696c 6569  rc_gromacs_filei\n-0001aaf0: 6f20 2d2d 3e0a 3c67 2069 643d 2265 6467  o -->.<g id=\"edg\n-0001ab00: 6531 3638 2220 636c 6173 733d 2265 6467  e168\" class=\"edg\n-0001ab10: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-0001ab20: 655f 7372 635f 6772 6f6d 6163 735f 7472  e_src_gromacs_tr\n-0001ab30: 616a 6563 746f 7279 616e 616c 7973 6973  ajectoryanalysis\n-0001ab40: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0001ab50: 7372 635f 6772 6f6d 6163 735f 6669 6c65  src_gromacs_file\n-0001ab60: 696f 3c2f 7469 746c 653e 0a3c 7061 7468  io</title>.<path\n-0001ab70: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-0001ab80: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n-0001ab90: 224d 3133 3739 2e30 312c 2d31 3032 312e  \"M1379.01,-1021.\n-0001aba0: 3738 4331 3336 392e 3837 2c2d 3130 3035  78C1369.87,-1005\n-0001abb0: 2e36 3120 3133 3537 2e38 352c 2d39 3737  .61 1357.85,-977\n-0001abc0: 2e34 3320 3133 3732 2c2d 3935 392e 3035  .43 1372,-959.05\n-0001abd0: 2031 3338 392e 3739 2c2d 3933 352e 3934   1389.79,-935.94\n-0001abe0: 2031 3437 302e 3837 2c2d 3932 312e 3539   1470.87,-921.59\n-0001abf0: 2031 3531 382e 3933 2c2d 3931 342e 3937   1518.93,-914.97\n-0001ac00: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-0001ac10: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n-0001ac20: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n-0001ac30: 6e74 733d 2231 3531 392e 3439 2c2d 3931  nts=\"1519.49,-91\n-0001ac40: 382e 3432 2031 3532 382e 3934 2c2d 3931  8.42 1528.94,-91\n-0001ac50: 332e 3633 2031 3531 382e 3537 2c2d 3931  3.63 1518.57,-91\n-0001ac60: 312e 3439 2031 3531 392e 3439 2c2d 3931  1.49 1519.49,-91\n-0001ac70: 382e 3432 222f 3e0a 3c2f 673e 0a3c 212d  8.42\"/>.</g>.<!-\n-0001ac80: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-0001ac90: 6d61 6373 5f74 7261 6a65 6374 6f72 7961  macs_trajectorya\n-0001aca0: 6e61 6c79 7369 7326 2334 353b 2667 743b  nalysis&#45;&gt;\n-0001acb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001acc0: 6373 5f73 7461 7469 7374 6963 7320 2d2d  cs_statistics --\n-0001acd0: 3e0a 3c67 2069 643d 2265 6467 6531 3734  >.<g id=\"edge174\n-0001ace0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-0001acf0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-0001ad00: 635f 6772 6f6d 6163 735f 7472 616a 6563  c_gromacs_trajec\n-0001ad10: 746f 7279 616e 616c 7973 6973 2623 3435  toryanalysis&#45\n-0001ad20: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0001ad30: 6772 6f6d 6163 735f 7374 6174 6973 7469  gromacs_statisti\n-0001ad40: 6373 3c2f 7469 746c 653e 0a3c 7061 7468  cs</title>.<path\n-0001ad50: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-0001ad60: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n-0001ad70: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n-0001ad80: 352c 3222 2064 3d22 4d31 3432 392e 3938  5,2\" d=\"M1429.98\n-0001ad90: 2c2d 3130 3235 2e31 3843 3134 3834 2e30  ,-1025.18C1484.0\n-0001ada0: 332c 2d31 3031 332e 3633 2031 3537 362e  3,-1013.63 1576.\n-0001adb0: 3234 2c2d 3939 332e 3934 2031 3632 392e  24,-993.94 1629.\n-0001adc0: 3838 2c2d 3938 322e 3438 222f 3e0a 3c70  88,-982.48\"/>.<p\n-0001add0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n-0001ade0: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n-0001adf0: 3832 6663 6322 2070 6f69 6e74 733d 2231  82fcc\" points=\"1\n-0001ae00: 3633 302e 3731 2c2d 3938 352e 3838 2031  630.71,-985.88 1\n-0001ae10: 3633 392e 3735 2c2d 3938 302e 3337 2031  639.75,-980.37 1\n-0001ae20: 3632 392e 3234 2c2d 3937 392e 3034 2031  629.24,-979.04 1\n-0001ae30: 3633 302e 3731 2c2d 3938 352e 3838 222f  630.71,-985.88\"/\n-0001ae40: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-0001ae50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-0001ae60: 7075 5f75 7469 6c73 2623 3435 3b26 6774  pu_utils&#45;&gt\n-0001ae70: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0001ae80: 6163 735f 7574 696c 6974 7920 2d2d 3e0a  acs_utility -->.\n-0001ae90: 3c67 2069 643d 2265 6467 6531 3739 2220  <g id=\"edge179\" \n-0001aea0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-0001aeb0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-0001aec0: 6772 6f6d 6163 735f 6770 755f 7574 696c  gromacs_gpu_util\n-0001aed0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-0001aee0: 5f73 7263 5f67 726f 6d61 6373 5f75 7469  _src_gromacs_uti\n-0001aef0: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061  lity</title>.<pa\n-0001af00: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-0001af10: 7472 6f6b 653d 2223 3263 6363 3238 2220  troke=\"#2ccc28\" \n-0001af20: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n-0001af30: 3d22 352c 3222 2064 3d22 4d36 3139 2e39  =\"5,2\" d=\"M619.9\n-0001af40: 362c 2d34 3139 2e35 4336 3037 2e30 312c  6,-419.5C607.01,\n-0001af50: 2d34 3239 2e33 3120 3538 362e 3434 2c2d  -429.31 586.44,-\n-0001af60: 3434 332e 3331 2035 3639 2e35 392c 2d34  443.31 569.59,-4\n-0001af70: 3533 2e38 3422 2f3e 0a3c 706f 6c79 676f  53.84\"/>.<polygo\n-0001af80: 6e20 6669 6c6c 3d22 2332 6363 6332 3822  n fill=\"#2ccc28\"\n-0001af90: 2073 7472 6f6b 653d 2223 3263 6363 3238   stroke=\"#2ccc28\n-0001afa0: 2220 706f 696e 7473 3d22 3536 372e 3339  \" points=\"567.39\n-0001afb0: 2c2d 3435 312e 3038 2035 3630 2e36 382c  ,-451.08 560.68,\n-0001afc0: 2d34 3539 2e32 3820 3537 312e 3034 2c2d  -459.28 571.04,-\n-0001afd0: 3435 372e 3035 2035 3637 2e33 392c 2d34  457.05 567.39,-4\n-0001afe0: 3531 2e30 3822 2f3e 0a3c 2f67 3e0a 3c21  51.08\"/>.</g>.<!\n-0001aff0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-0001b000: 6f6d 6163 735f 6770 755f 7574 696c 7326  omacs_gpu_utils&\n-0001b010: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0001b020: 7263 5f67 726f 6d61 6373 5f6d 6174 6820  rc_gromacs_math \n-0001b030: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n-0001b040: 3738 2220 636c 6173 733d 2265 6467 6522  78\" class=\"edge\"\n-0001b050: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-0001b060: 7372 635f 6772 6f6d 6163 735f 6770 755f  src_gromacs_gpu_\n-0001b070: 7574 696c 7326 2334 353b 2667 743b 6d6f  utils&#45;&gt;mo\n-0001b080: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001b090: 5f6d 6174 683c 2f74 6974 6c65 3e0a 3c70  _math</title>.<p\n-0001b0a0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-0001b0b0: 7374 726f 6b65 3d22 2332 6363 6332 3822  stroke=\"#2ccc28\"\n-0001b0c0: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-0001b0d0: 793d 2235 2c32 2220 643d 224d 3539 322e  y=\"5,2\" d=\"M592.\n-0001b0e0: 3933 2c2d 3430 342e 3432 4335 3539 2c2d  93,-404.42C559,-\n-0001b0f0: 3430 312e 3033 2035 3131 2e37 312c 2d33  401.03 511.71,-3\n-0001b100: 3930 2e32 2034 3838 2c2d 3335 372e 3232  90.2 488,-357.22\n-0001b110: 2034 3432 2e30 362c 2d32 3933 2e33 3120   442.06,-293.31 \n-0001b120: 3435 312e 3438 2c2d 3238 312e 3236 2035  451.48,-281.26 5\n-0001b130: 3836 2c2d 3230 342e 3631 2036 3030 2e38  86,-204.61 600.8\n-0001b140: 332c 2d31 3936 2e31 3620 3833 362e 3836  3,-196.16 836.86\n-0001b150: 2c2d 3136 392e 3938 2039 3238 2e37 372c  ,-169.98 928.77,\n-0001b160: 2d31 3630 2e30 3522 2f3e 0a3c 706f 6c79  -160.05\"/>.<poly\n-0001b170: 676f 6e20 6669 6c6c 3d22 2332 6363 6332  gon fill=\"#2ccc2\n-0001b180: 3822 2073 7472 6f6b 653d 2223 3263 6363  8\" stroke=\"#2ccc\n-0001b190: 3238 2220 706f 696e 7473 3d22 3932 392e  28\" points=\"929.\n-0001b1a0: 3432 2c2d 3136 332e 3520 3933 382e 3939  42,-163.5 938.99\n-0001b1b0: 2c2d 3135 382e 3935 2039 3238 2e36 372c  ,-158.95 928.67,\n-0001b1c0: 2d31 3536 2e35 3420 3932 392e 3432 2c2d  -156.54 929.42,-\n-0001b1d0: 3136 332e 3522 2f3e 0a3c 2f67 3e0a 3c21  163.5\"/>.</g>.<!\n-0001b1e0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-0001b1f0: 6f6d 6163 735f 6770 755f 7574 696c 7326  omacs_gpu_utils&\n-0001b200: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0001b210: 7263 5f67 726f 6d61 6373 5f6e 626e 786d  rc_gromacs_nbnxm\n-0001b220: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-0001b230: 3137 3722 2063 6c61 7373 3d22 6564 6765  177\" class=\"edge\n-0001b240: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-0001b250: 5f73 7263 5f67 726f 6d61 6373 5f67 7075  _src_gromacs_gpu\n-0001b260: 5f75 7469 6c73 2623 3435 3b26 6774 3b6d  _utils&#45;&gt;m\n-0001b270: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0001b280: 735f 6e62 6e78 6d3c 2f74 6974 6c65 3e0a  s_nbnxm</title>.\n-0001b290: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-0001b2a0: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-0001b2b0: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n-0001b2c0: 7261 793d 2235 2c32 2220 643d 224d 3635  ray=\"5,2\" d=\"M65\n-0001b2d0: 322e 3334 2c2d 3339 352e 3035 4336 3736  2.34,-395.05C676\n-0001b2e0: 2e33 332c 2d33 3834 2e33 3320 3731 362e  .33,-384.33 716.\n-0001b2f0: 3232 2c2d 3336 372e 3738 2037 3434 2e39  22,-367.78 744.9\n-0001b300: 312c 2d33 3536 2e36 3322 2f3e 0a3c 706f  1,-356.63\"/>.<po\n-0001b310: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-0001b320: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-0001b330: 3266 6363 2220 706f 696e 7473 3d22 3734  2fcc\" points=\"74\n-0001b340: 362e 3437 2c2d 3335 392e 3738 2037 3534  6.47,-359.78 754\n-0001b350: 2e35 352c 2d33 3532 2e39 3320 3734 332e  .55,-352.93 743.\n-0001b360: 3936 2c2d 3335 332e 3235 2037 3436 2e34  96,-353.25 746.4\n-0001b370: 372c 2d33 3539 2e37 3822 2f3e 0a3c 2f67  7,-359.78\"/>.</g\n-0001b380: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-0001b390: 635f 6772 6f6d 6163 735f 6770 755f 7574  c_gromacs_gpu_ut\n-0001b3a0: 696c 7326 2334 353b 2667 743b 6d6f 6475  ils&#45;&gt;modu\n-0001b3b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68  le_src_gromacs_h\n-0001b3c0: 6172 6477 6172 6520 2d2d 3e0a 3c67 2069  ardware -->.<g i\n-0001b3d0: 643d 2265 6467 6531 3735 2220 636c 6173  d=\"edge175\" clas\n-0001b3e0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-0001b3f0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-0001b400: 6163 735f 6770 755f 7574 696c 7326 2334  acs_gpu_utils&#4\n-0001b410: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-0001b420: 5f67 726f 6d61 6373 5f68 6172 6477 6172  _gromacs_hardwar\n-0001b430: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820  e</title>.<path \n-0001b440: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-0001b450: 6b65 3d22 7265 6422 2064 3d22 4d36 3038  ke=\"red\" d=\"M608\n-0001b460: 2e33 382c 2d34 3137 2e36 3143 3537 392e  .38,-417.61C579.\n-0001b470: 3139 2c2d 3432 382e 3420 3532 392e 352c  19,-428.4 529.5,\n-0001b480: 2d34 3435 2e36 3220 3439 342e 3734 2c2d  -445.62 494.74,-\n-0001b490: 3435 3722 2f3e 0a3c 706f 6c79 676f 6e20  457\"/>.<polygon \n-0001b4a0: 6669 6c6c 3d22 7265 6422 2073 7472 6f6b  fill=\"red\" strok\n-0001b4b0: 653d 2272 6564 2220 706f 696e 7473 3d22  e=\"red\" points=\"\n-0001b4c0: 3439 332e 3335 2c2d 3435 332e 3737 2034  493.35,-453.77 4\n-0001b4d0: 3834 2e39 322c 2d34 3630 2e31 3920 3439  84.92,-460.19 49\n-0001b4e0: 352e 3531 2c2d 3436 302e 3433 2034 3933  5.51,-460.43 493\n-0001b4f0: 2e33 352c 2d34 3533 2e37 3722 2f3e 0a3c  .35,-453.77\"/>.<\n-0001b500: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-0001b510: 7372 635f 6772 6f6d 6163 735f 6770 755f  src_gromacs_gpu_\n-0001b520: 7574 696c 7326 2334 353b 2667 743b 6d6f  utils&#45;&gt;mo\n-0001b530: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001b540: 5f6d 6474 7970 6573 202d 2d3e 0a3c 6720  _mdtypes -->.<g \n-0001b550: 6964 3d22 6564 6765 3137 3622 2063 6c61  id=\"edge176\" cla\n-0001b560: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-0001b570: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-0001b580: 6d61 6373 5f67 7075 5f75 7469 6c73 2623  macs_gpu_utils&#\n-0001b590: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0001b5a0: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n-0001b5b0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820  s</title>.<path \n-0001b5c0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-0001b5d0: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n-0001b5e0: 4d36 3731 2e38 352c 2d34 3037 2e36 4337  M671.85,-407.6C7\n-0001b5f0: 3132 2e37 362c 2d34 3039 2e34 3420 3737  12.76,-409.44 77\n-0001b600: 342e 3836 2c2d 3431 382e 3534 2038 3130  4.86,-418.54 810\n-0001b610: 2c2d 3435 362e 3039 2038 3537 2e34 322c  ,-456.09 857.42,\n-0001b620: 2d35 3036 2e37 3620 3739 372e 3738 2c2d  -506.76 797.78,-\n-0001b630: 3535 362e 3036 2038 3433 2c2d 3630 382e  556.06 843,-608.\n-0001b640: 3720 3836 322c 2d36 3330 2e38 3220 3839  7 862,-630.82 89\n-0001b650: 322e 3236 2c2d 3634 322e 3838 2039 3137  2.26,-642.88 917\n-0001b660: 2e34 362c 2d36 3439 2e34 3222 2f3e 0a3c  .46,-649.42\"/>.<\n-0001b670: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n-0001b680: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n-0001b690: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n-0001b6a0: 3931 362e 3635 2c2d 3635 322e 3833 2039  916.65,-652.83 9\n-0001b6b0: 3237 2e31 392c 2d36 3531 2e37 3520 3931  27.19,-651.75 91\n-0001b6c0: 382e 3238 2c2d 3634 362e 3032 2039 3136  8.28,-646.02 916\n-0001b6d0: 2e36 352c 2d36 3532 2e38 3322 2f3e 0a3c  .65,-652.83\"/>.<\n-0001b6e0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-0001b6f0: 7372 635f 6772 6f6d 6163 735f 746f 706f  src_gromacs_topo\n-0001b700: 6c6f 6779 202d 2d3e 0a3c 6720 6964 3d22  logy -->.<g id=\"\n-0001b710: 6e6f 6465 3239 2220 636c 6173 733d 226e  node29\" class=\"n\n-0001b720: 6f64 6522 3e0a 3c74 6974 6c65 3e6d 6f64  ode\">.<title>mod\n-0001b730: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0001b740: 746f 706f 6c6f 6779 3c2f 7469 746c 653e  topology</title>\n-0001b750: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22  .<ellipse fill=\"\n-0001b760: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n-0001b770: 2262 6c61 636b 2220 6378 3d22 3135 3735  \"black\" cx=\"1575\n-0001b780: 2220 6379 3d22 2d37 3231 2e30 3122 2072  \" cy=\"-721.01\" r\n-0001b790: 783d 2233 372e 3435 2220 7279 3d22 3133  x=\"37.45\" ry=\"13\n-0001b7a0: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n-0001b7b0: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n-0001b7c0: 2220 783d 2231 3537 3522 2079 3d22 2d37  \" x=\"1575\" y=\"-7\n-0001b7d0: 3138 2e35 3122 2066 6f6e 742d 6661 6d69  18.51\" font-fami\n-0001b7e0: 6c79 3d22 4672 6565 5361 6e73 2220 666f  ly=\"FreeSans\" fo\n-0001b7f0: 6e74 2d73 697a 653d 2231 302e 3030 223e  nt-size=\"10.00\">\n-0001b800: 746f 706f 6c6f 6779 3c2f 7465 7874 3e0a  topology</text>.\n-0001b810: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-0001b820: 5f73 7263 5f67 726f 6d61 6373 5f74 6f70  _src_gromacs_top\n-0001b830: 6f6c 6f67 7926 2334 353b 2667 743b 6d6f  ology&#45;&gt;mo\n-0001b840: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001b850: 5f6d 6474 7970 6573 202d 2d3e 0a3c 6720  _mdtypes -->.<g \n-0001b860: 6964 3d22 6564 6765 3138 3022 2063 6c61  id=\"edge180\" cla\n-0001b870: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-0001b880: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-0001b890: 6d61 6373 5f74 6f70 6f6c 6f67 7926 2334  macs_topology&#4\n-0001b8a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-0001b8b0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573  _gromacs_mdtypes\n-0001b8c0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-0001b8d0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-0001b8e0: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n-0001b8f0: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-0001b900: 3222 2064 3d22 4d31 3533 392e 3333 2c2d  2\" d=\"M1539.33,-\n-0001b910: 3731 362e 3437 4331 3433 342e 3132 2c2d  716.47C1434.12,-\n-0001b920: 3730 362e 3034 2031 3132 352e 3032 2c2d  706.04 1125.02,-\n-0001b930: 3637 352e 3420 3130 3037 2e32 382c 2d36  675.4 1007.28,-6\n-0001b940: 3633 2e37 3222 2f3e 0a3c 706f 6c79 676f  63.72\"/>.<polygo\n-0001b950: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n-0001b960: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-0001b970: 2220 706f 696e 7473 3d22 3130 3037 2e34  \" points=\"1007.4\n-0001b980: 352c 2d36 3630 2e32 3220 3939 372e 3135  5,-660.22 997.15\n-0001b990: 2c2d 3636 322e 3732 2031 3030 362e 3735  ,-662.72 1006.75\n-0001b9a0: 2c2d 3636 372e 3139 2031 3030 372e 3435  ,-667.19 1007.45\n-0001b9b0: 2c2d 3636 302e 3232 222f 3e0a 3c2f 673e  ,-660.22\"/>.</g>\n-0001b9c0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-0001b9d0: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67  _gromacs_topolog\n-0001b9e0: 7926 2334 353b 2667 743b 6d6f 6475 6c65  y&#45;&gt;module\n-0001b9f0: 5f73 7263 5f74 6573 7475 7469 6c73 202d  _src_testutils -\n-0001ba00: 2d3e 0a3c 6720 6964 3d22 6564 6765 3138  ->.<g id=\"edge18\n-0001ba10: 3122 2063 6c61 7373 3d22 6564 6765 223e  1\" class=\"edge\">\n-0001ba20: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-0001ba30: 7263 5f67 726f 6d61 6373 5f74 6f70 6f6c  rc_gromacs_topol\n-0001ba40: 6f67 7926 2334 353b 2667 743b 6d6f 6475  ogy&#45;&gt;modu\n-0001ba50: 6c65 5f73 7263 5f74 6573 7475 7469 6c73  le_src_testutils\n-0001ba60: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-0001ba70: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-0001ba80: 653d 2272 6564 2220 643d 224d 3136 3036  e=\"red\" d=\"M1606\n-0001ba90: 2e33 322c 2d37 3133 2e35 3843 3137 3433  .32,-713.58C1743\n-0001baa0: 2e33 342c 2d36 3835 2e34 3820 3232 3839  .34,-685.48 2289\n-0001bab0: 2e39 392c 2d35 3733 2e33 3820 3234 3434  .99,-573.38 2444\n-0001bac0: 2e32 372c 2d35 3431 2e37 3522 2f3e 0a3c  .27,-541.75\"/>.<\n-0001bad0: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265  polygon fill=\"re\n-0001bae0: 6422 2073 7472 6f6b 653d 2272 6564 2220  d\" stroke=\"red\" \n-0001baf0: 706f 696e 7473 3d22 3234 3435 2e31 382c  points=\"2445.18,\n-0001bb00: 2d35 3435 2e31 3320 3234 3534 2e32 372c  -545.13 2454.27,\n-0001bb10: 2d35 3339 2e37 2032 3434 332e 3737 2c2d  -539.7 2443.77,-\n-0001bb20: 3533 382e 3238 2032 3434 352e 3138 2c2d  538.28 2445.18,-\n-0001bb30: 3534 352e 3133 222f 3e0a 3c2f 673e 0a3c  545.13\"/>.</g>.<\n-0001bb40: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-0001bb50: 726f 6d61 6373 5f63 6f6f 7264 696e 6174  romacs_coordinat\n-0001bb60: 6569 6f26 2334 353b 2667 743b 6d6f 6475  eio&#45;&gt;modu\n-0001bb70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6f  le_src_gromacs_o\n-0001bb80: 7074 696f 6e73 202d 2d3e 0a3c 6720 6964  ptions -->.<g id\n-0001bb90: 3d22 6564 6765 3138 3222 2063 6c61 7373  =\"edge182\" class\n-0001bba0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-0001bbb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001bbc0: 6373 5f63 6f6f 7264 696e 6174 6569 6f26  cs_coordinateio&\n-0001bbd0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0001bbe0: 7263 5f67 726f 6d61 6373 5f6f 7074 696f  rc_gromacs_optio\n-0001bbf0: 6e73 3c2f 7469 746c 653e 0a3c 7061 7468  ns</title>.<path\n-0001bc00: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-0001bc10: 6f6b 653d 2223 3263 6363 3238 2220 7374  oke=\"#2ccc28\" st\n-0001bc20: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n-0001bc30: 352c 3222 2064 3d22 4d31 3530 392e 3632  5,2\" d=\"M1509.62\n-0001bc40: 2c2d 3936 362e 3935 4331 3635 322e 3836  ,-966.95C1652.86\n-0001bc50: 2c2d 3935 312e 3437 2032 3039 372e 3438  ,-951.47 2097.48\n-0001bc60: 2c2d 3839 362e 3231 2032 3139 362c 2d37  ,-896.21 2196,-7\n-0001bc70: 3937 2e33 3120 3232 3631 2e33 382c 2d37  97.31 2261.38,-7\n-0001bc80: 3331 2e36 3820 3232 3531 2c2d 3638 382e  31.68 2251,-688.\n-0001bc90: 3920 3232 3531 2c2d 3539 362e 3237 2032  9 2251,-596.27 2\n-0001bca0: 3235 312c 2d35 3936 2e32 3720 3232 3531  251,-596.27 2251\n-0001bcb0: 2c2d 3539 362e 3237 2032 3235 312c 2d34  ,-596.27 2251,-4\n-0001bcc0: 3035 2e36 3620 3232 3531 2c2d 3235 352e  05.66 2251,-255.\n-0001bcd0: 3234 2032 3433 392e 332c 2d31 3930 2e39  24 2439.3,-190.9\n-0001bce0: 3620 3233 3339 2c2d 3738 2e38 3720 3233  6 2339,-78.87 23\n-0001bcf0: 3133 2e32 322c 2d35 302e 3036 2032 3035  13.22,-50.06 205\n-0001bd00: 332e 3532 2c2d 3336 2e34 3520 3139 3438  3.52,-36.45 1948\n-0001bd10: 2e31 312c 2d33 322e 3038 222f 3e0a 3c70  .11,-32.08\"/>.<p\n-0001bd20: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3263  olygon fill=\"#2c\n-0001bd30: 6363 3238 2220 7374 726f 6b65 3d22 2332  cc28\" stroke=\"#2\n-0001bd40: 6363 6332 3822 2070 6f69 6e74 733d 2231  ccc28\" points=\"1\n-0001bd50: 3934 372e 3935 2c2d 3238 2e35 3720 3139  947.95,-28.57 19\n-0001bd60: 3337 2e38 312c 2d33 312e 3636 2031 3934  37.81,-31.66 194\n-0001bd70: 372e 3636 2c2d 3335 2e35 3620 3139 3437  7.66,-35.56 1947\n-0001bd80: 2e39 352c 2d32 382e 3537 222f 3e0a 3c2f  .95,-28.57\"/>.</\n-0001bd90: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-0001bda0: 7263 5f67 726f 6d61 6373 5f70 756c 6c69  rc_gromacs_pulli\n-0001bdb0: 6e67 2623 3435 3b26 6774 3b6d 6f64 756c  ng&#45;&gt;modul\n-0001bdc0: 655f 7372 635f 6772 6f6d 6163 735f 646f  e_src_gromacs_do\n-0001bdd0: 6d64 6563 202d 2d3e 0a3c 6720 6964 3d22  mdec -->.<g id=\"\n-0001bde0: 6564 6765 3138 3422 2063 6c61 7373 3d22  edge184\" class=\"\n-0001bdf0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-0001be00: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001be10: 5f70 756c 6c69 6e67 2623 3435 3b26 6774  _pulling&#45;&gt\n-0001be20: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0001be30: 6163 735f 646f 6d64 6563 3c2f 7469 746c  acs_domdec</titl\n-0001be40: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-0001be50: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n-0001be60: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n-0001be70: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n-0001be80: 4d31 3036 332e 3639 2c2d 3739 312e 3938  M1063.69,-791.98\n-0001be90: 4331 3033 362e 3332 2c2d 3830 302e 3134  C1036.32,-800.14\n-0001bea0: 2039 3931 2e38 312c 2d38 3134 2e38 3220   991.81,-814.82 \n-0001beb0: 3935 362c 2d38 3333 2e33 3120 3839 332e  956,-833.31 893.\n-0001bec0: 3632 2c2d 3836 352e 3533 2038 3838 2e37  62,-865.53 888.7\n-0001bed0: 312c 2d38 3931 2e34 3820 3832 362c 2d39  1,-891.48 826,-9\n-0001bee0: 3233 2e30 3520 3739 322e 3439 2c2d 3933  23.05 792.49,-93\n-0001bef0: 392e 3932 2037 3531 2e37 352c 2d39 3533  9.92 751.75,-953\n-0001bf00: 2e31 3420 3732 322e 3531 2c2d 3936 312e  .14 722.51,-961.\n-0001bf10: 3438 222f 3e0a 3c70 6f6c 7967 6f6e 2066  48\"/>.<polygon f\n-0001bf20: 696c 6c3d 2223 3238 3266 6363 2220 7374  ill=\"#282fcc\" st\n-0001bf30: 726f 6b65 3d22 2332 3832 6663 6322 2070  roke=\"#282fcc\" p\n-0001bf40: 6f69 6e74 733d 2237 3231 2e33 372c 2d39  oints=\"721.37,-9\n-0001bf50: 3538 2e31 3620 3731 322e 3638 2c2d 3936  58.16 712.68,-96\n-0001bf60: 342e 3232 2037 3233 2e32 352c 2d39 3634  4.22 723.25,-964\n-0001bf70: 2e39 2037 3231 2e33 372c 2d39 3538 2e31  .9 721.37,-958.1\n-0001bf80: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  6\"/>.</g>.<!-- m\n-0001bf90: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0001bfa0: 735f 7075 6c6c 696e 6726 2334 353b 2667  s_pulling&#45;&g\n-0001bfb0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0001bfc0: 6d61 6373 5f6d 646c 6962 202d 2d3e 0a3c  macs_mdlib -->.<\n-0001bfd0: 6720 6964 3d22 6564 6765 3138 3722 2063  g id=\"edge187\" c\n-0001bfe0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-0001bff0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-0001c000: 726f 6d61 6373 5f70 756c 6c69 6e67 2623  romacs_pulling&#\n-0001c010: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0001c020: 635f 6772 6f6d 6163 735f 6d64 6c69 623c  c_gromacs_mdlib<\n-0001c030: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-0001c040: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-0001c050: 3d22 2362 6662 6662 6622 2064 3d22 4d31  =\"#bfbfbf\" d=\"M1\n-0001c060: 3131 322e 3034 2c2d 3737 342e 3537 4331  112.04,-774.57C1\n-0001c070: 3132 392e 3233 2c2d 3736 372e 3031 2031  129.23,-767.01 1\n-0001c080: 3135 312e 352c 2d37 3534 2e30 3120 3131  151.5,-754.01 11\n-0001c090: 3632 2c2d 3733 342e 3434 2031 3136 372e  62,-734.44 1167.\n-0001c0a0: 3635 2c2d 3732 332e 3932 2031 3136 352e  65,-723.92 1165.\n-0001c0b0: 372c 2d37 3138 2e39 3320 3131 3632 2c2d  7,-718.93 1162,-\n-0001c0c0: 3730 372e 3537 2031 3134 322e 3037 2c2d  707.57 1142.07,-\n-0001c0d0: 3634 362e 3334 2031 3037 382e 3638 2c2d  646.34 1078.68,-\n-0001c0e0: 3634 352e 3233 2031 3039 302c 2d35 3831  645.23 1090,-581\n-0001c0f0: 2e38 3320 3131 3133 2e39 332c 2d34 3437  .83 1113.93,-447\n-0001c100: 2e37 3720 3131 3531 2e37 362c 2d34 3233  .77 1151.76,-423\n-0001c110: 2e31 3420 3131 3936 2c2d 3239 342e 3335  .14 1196,-294.35\n-0001c120: 2031 3230 322e 3036 2c2d 3237 362e 3720   1202.06,-276.7 \n-0001c130: 3132 3038 2e34 362c 2d32 3536 2e35 3520  1208.46,-256.55 \n-0001c140: 3132 3133 2e31 322c 2d32 3431 2e35 3422  1213.12,-241.54\"\n-0001c150: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-0001c160: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n-0001c170: 653d 2223 6266 6266 6266 2220 706f 696e  e=\"#bfbfbf\" poin\n-0001c180: 7473 3d22 3132 3136 2e35 372c 2d32 3432  ts=\"1216.57,-242\n-0001c190: 2e32 3120 3132 3136 2e31 382c 2d32 3331  .21 1216.18,-231\n-0001c1a0: 2e36 3320 3132 3039 2e38 392c 2d32 3430  .63 1209.89,-240\n-0001c1b0: 2e31 3520 3132 3136 2e35 372c 2d32 3432  .15 1216.57,-242\n-0001c1c0: 2e32 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .21\"/>.</g>.<!--\n-0001c1d0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-0001c1e0: 6163 735f 7075 6c6c 696e 6726 2334 353b  acs_pulling&#45;\n-0001c1f0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0001c200: 726f 6d61 6373 5f67 6d78 6c69 6220 2d2d  romacs_gmxlib --\n-0001c210: 3e0a 3c67 2069 643d 2265 6467 6531 3836  >.<g id=\"edge186\n-0001c220: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-0001c230: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-0001c240: 635f 6772 6f6d 6163 735f 7075 6c6c 696e  c_gromacs_pullin\n-0001c250: 6726 2334 353b 2667 743b 6d6f 6475 6c65  g&#45;&gt;module\n-0001c260: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n-0001c270: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174  lib</title>.<pat\n-0001c280: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-0001c290: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n-0001c2a0: 3d22 4d31 3131 332e 342c 2d37 3735 2e34  =\"M1113.4,-775.4\n-0001c2b0: 3143 3131 3438 2e36 312c 2d37 3634 2e36  1C1148.61,-764.6\n-0001c2c0: 3420 3132 3133 2e38 322c 2d37 3434 2e37  4 1213.82,-744.7\n-0001c2d0: 2031 3235 332e 3831 2c2d 3733 322e 3436   1253.81,-732.46\n-0001c2e0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-0001c2f0: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n-0001c300: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n-0001c310: 6e74 733d 2231 3235 342e 3836 2c2d 3733  nts=\"1254.86,-73\n-0001c320: 352e 3820 3132 3633 2e34 2c2d 3732 392e  5.8 1263.4,-729.\n-0001c330: 3533 2031 3235 322e 3831 2c2d 3732 392e  53 1252.81,-729.\n-0001c340: 3131 2031 3235 342e 3836 2c2d 3733 352e  11 1254.86,-735.\n-0001c350: 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  8\"/>.</g>.<!-- m\n-0001c360: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0001c370: 735f 7075 6c6c 696e 6726 2334 353b 2667  s_pulling&#45;&g\n-0001c380: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0001c390: 6d61 6373 5f6d 6474 7970 6573 202d 2d3e  macs_mdtypes -->\n-0001c3a0: 0a3c 6720 6964 3d22 6564 6765 3138 3922  .<g id=\"edge189\"\n-0001c3b0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-0001c3c0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-0001c3d0: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67  _gromacs_pulling\n-0001c3e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0001c3f0: 7372 635f 6772 6f6d 6163 735f 6d64 7479  src_gromacs_mdty\n-0001c400: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174  pes</title>.<pat\n-0001c410: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-0001c420: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n-0001c430: 3d22 4d31 3130 312e 3034 2c2d 3737 312e  =\"M1101.04,-771.\n-0001c440: 3332 4331 3131 352e 3737 2c2d 3735 352e  32C1115.77,-755.\n-0001c450: 3736 2031 3133 362e 3939 2c2d 3732 372e  76 1136.99,-727.\n-0001c460: 3733 2031 3132 322c 2d37 3037 2e35 3720  73 1122,-707.57 \n-0001c470: 3131 3037 2e39 332c 2d36 3838 2e36 3520  1107.93,-688.65 \n-0001c480: 3130 3437 2e35 312c 2d36 3734 2e33 3220  1047.51,-674.32 \n-0001c490: 3130 3034 2e38 332c 2d36 3636 2e33 3222  1004.83,-666.32\"\n-0001c4a0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-0001c4b0: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n-0001c4c0: 653d 2223 6266 6266 6266 2220 706f 696e  e=\"#bfbfbf\" poin\n-0001c4d0: 7473 3d22 3130 3035 2e34 312c 2d36 3632  ts=\"1005.41,-662\n-0001c4e0: 2e38 3720 3939 342e 3934 2c2d 3636 342e  .87 994.94,-664.\n-0001c4f0: 3532 2031 3030 342e 3135 2c2d 3636 392e  52 1004.15,-669.\n-0001c500: 3736 2031 3030 352e 3431 2c2d 3636 322e  76 1005.41,-662.\n-0001c510: 3837 222f 3e0a 3c2f 673e 0a3c 212d 2d20  87\"/>.</g>.<!-- \n-0001c520: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001c530: 6373 5f70 756c 6c69 6e67 2623 3435 3b26  cs_pulling&#45;&\n-0001c540: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-0001c550: 6f6d 6163 735f 636f 6d6d 616e 646c 696e  omacs_commandlin\n-0001c560: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467  e -->.<g id=\"edg\n-0001c570: 6531 3833 2220 636c 6173 733d 2265 6467  e183\" class=\"edg\n-0001c580: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-0001c590: 655f 7372 635f 6772 6f6d 6163 735f 7075  e_src_gromacs_pu\n-0001c5a0: 6c6c 696e 6726 2334 353b 2667 743b 6d6f  lling&#45;&gt;mo\n-0001c5b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001c5c0: 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f 7469  _commandline</ti\n-0001c5d0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-0001c5e0: 226e 6f6e 6522 2073 7472 6f6b 653d 2262  \"none\" stroke=\"b\n-0001c5f0: 6c61 636b 2220 7374 726f 6b65 2d64 6173  lack\" stroke-das\n-0001c600: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n-0001c610: 4d31 3130 322e 3534 2c2d 3737 312e 3733  M1102.54,-771.73\n-0001c620: 4331 3131 322e 3235 2c2d 3736 322e 3820  C1112.25,-762.8 \n-0001c630: 3131 3234 2e35 342c 2d37 3439 2e33 3420  1124.54,-749.34 \n-0001c640: 3131 3330 2c2d 3733 342e 3434 2031 3133  1130,-734.44 113\n-0001c650: 342e 3131 2c2d 3732 332e 3233 2031 3133  4.11,-723.23 113\n-0001c660: 332c 2d37 3139 2e31 3320 3131 3330 2c2d  3,-719.13 1130,-\n-0001c670: 3730 372e 3537 2031 3132 352e 3431 2c2d  707.57 1125.41,-\n-0001c680: 3638 392e 3835 2031 3131 372e 3834 2c2d  689.85 1117.84,-\n-0001c690: 3638 382e 3131 2031 3131 302c 2d36 3731  688.11 1110,-671\n-0001c6a0: 2e35 3720 3130 3937 2e31 322c 2d36 3434  .57 1097.12,-644\n-0001c6b0: 2e34 2031 3039 302e 3636 2c2d 3633 382e  .4 1090.66,-638.\n-0001c6c0: 3233 2031 3038 352c 2d36 3038 2e37 2031  23 1085,-608.7 1\n-0001c6d0: 3035 302e 3731 2c2d 3432 392e 3638 2031  050.71,-429.68 1\n-0001c6e0: 3034 342e 3232 2c2d 3334 392e 3335 2031  044.22,-349.35 1\n-0001c6f0: 3135 352c 2d32 3034 2e36 3120 3131 3834  155,-204.61 1184\n-0001c700: 2e34 332c 2d31 3636 2e31 3520 3131 3938  .43,-166.15 1198\n-0001c710: 2e34 312c 2d31 3538 2e30 3820 3132 3434  .41,-158.08 1244\n-0001c720: 2c2d 3134 312e 3734 2031 3239 392e 3437  ,-141.74 1299.47\n-0001c730: 2c2d 3132 312e 3836 2031 3638 392e 3932  ,-121.86 1689.92\n-0001c740: 2c2d 3130 322e 3734 2031 3834 322e 3831  ,-102.74 1842.81\n-0001c750: 2c2d 3935 2e39 3222 2f3e 0a3c 706f 6c79  ,-95.92\"/>.<poly\n-0001c760: 676f 6e20 6669 6c6c 3d22 626c 6163 6b22  gon fill=\"black\"\n-0001c770: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n-0001c780: 706f 696e 7473 3d22 3138 3433 2e31 332c  points=\"1843.13,\n-0001c790: 2d39 392e 3431 2031 3835 322e 3937 2c2d  -99.41 1852.97,-\n-0001c7a0: 3935 2e34 3720 3138 3432 2e38 322c 2d39  95.47 1842.82,-9\n-0001c7b0: 322e 3432 2031 3834 332e 3133 2c2d 3939  2.42 1843.13,-99\n-0001c7c0: 2e34 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .41\"/>.</g>.<!--\n-0001c7d0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-0001c7e0: 6163 735f 7075 6c6c 696e 6726 2334 353b  acs_pulling&#45;\n-0001c7f0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0001c800: 726f 6d61 6373 5f6d 6472 756e 7574 696c  romacs_mdrunutil\n-0001c810: 6974 7920 2d2d 3e0a 3c67 2069 643d 2265  ity -->.<g id=\"e\n-0001c820: 6467 6531 3838 2220 636c 6173 733d 2265  dge188\" class=\"e\n-0001c830: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-0001c840: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0001c850: 7075 6c6c 696e 6726 2334 353b 2667 743b  pulling&#45;&gt;\n-0001c860: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001c870: 6373 5f6d 6472 756e 7574 696c 6974 793c  cs_mdrunutility<\n-0001c880: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-0001c890: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-0001c8a0: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-0001c8b0: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n-0001c8c0: 2220 643d 224d 3131 3130 2e34 312c 2d37  \" d=\"M1110.41,-7\n-0001c8d0: 3734 2e30 3443 3131 3330 2c2d 3736 352e  74.04C1130,-765.\n-0001c8e0: 3433 2031 3135 392e 332c 2d37 3531 2e32  43 1159.3,-751.2\n-0001c8f0: 3120 3131 3832 2c2d 3733 342e 3434 2031  1 1182,-734.44 1\n-0001c900: 3235 342e 3138 2c2d 3638 312e 3132 2031  254.18,-681.12 1\n-0001c910: 3331 382e 3131 2c2d 3539 332e 3935 2031  318.11,-593.95 1\n-0001c920: 3334 352e 3232 2c2d 3535 342e 3236 222f  345.22,-554.26\"/\n-0001c930: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-0001c940: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-0001c950: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n-0001c960: 733d 2231 3334 382e 3138 2c2d 3535 362e  s=\"1348.18,-556.\n-0001c970: 3133 2031 3335 302e 3837 2c2d 3534 352e  13 1350.87,-545.\n-0001c980: 3839 2031 3334 322e 3338 2c2d 3535 322e  89 1342.38,-552.\n-0001c990: 3232 2031 3334 382e 3138 2c2d 3535 362e  22 1348.18,-556.\n-0001c9a0: 3133 222f 3e0a 3c2f 673e 0a3c 212d 2d20  13\"/>.</g>.<!-- \n-0001c9b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001c9c0: 6373 5f70 756c 6c69 6e67 2623 3435 3b26  cs_pulling&#45;&\n-0001c9d0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-0001c9e0: 6f6d 6163 735f 6669 6c65 696f 202d 2d3e  omacs_fileio -->\n-0001c9f0: 0a3c 6720 6964 3d22 6564 6765 3138 3522  .<g id=\"edge185\"\n-0001ca00: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-0001ca10: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-0001ca20: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67  _gromacs_pulling\n-0001ca30: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0001ca40: 7372 635f 6772 6f6d 6163 735f 6669 6c65  src_gromacs_file\n-0001ca50: 696f 3c2f 7469 746c 653e 0a3c 7061 7468  io</title>.<path\n-0001ca60: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-0001ca70: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n-0001ca80: 224d 3131 3134 2e35 2c2d 3739 312e 3635  \"M1114.5,-791.65\n-0001ca90: 4331 3139 332e 3438 2c2d 3831 322e 3632  C1193.48,-812.62\n-0001caa0: 2031 3433 332e 3939 2c2d 3837 362e 3438   1433.99,-876.48\n-0001cab0: 2031 3532 322e 3135 2c2d 3839 392e 3839   1522.15,-899.89\n-0001cac0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-0001cad0: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n-0001cae0: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n-0001caf0: 6e74 733d 2231 3532 312e 3333 2c2d 3930  nts=\"1521.33,-90\n-0001cb00: 332e 3320 3135 3331 2e38 392c 2d39 3032  3.3 1531.89,-902\n-0001cb10: 2e34 3820 3135 3233 2e31 322c 2d38 3936  .48 1523.12,-896\n-0001cb20: 2e35 3320 3135 3231 2e33 332c 2d39 3033  .53 1521.33,-903\n-0001cb30: 2e33 222f 3e0a 3c2f 673e 0a3c 212d 2d20  .3\"/>.</g>.<!-- \n-0001cb40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001cb50: 6373 5f67 6d78 6c69 6226 2334 353b 2667  cs_gmxlib&#45;&g\n-0001cb60: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0001cb70: 6d61 6373 5f74 6162 6c65 7320 2d2d 3e0a  macs_tables -->.\n-0001cb80: 3c67 2069 643d 2265 6467 6531 3934 2220  <g id=\"edge194\" \n-0001cb90: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-0001cba0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-0001cbb0: 6772 6f6d 6163 735f 676d 786c 6962 2623  gromacs_gmxlib&#\n-0001cbc0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0001cbd0: 635f 6772 6f6d 6163 735f 7461 626c 6573  c_gromacs_tables\n-0001cbe0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-0001cbf0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-0001cc00: 653d 2223 3263 6363 3238 2220 7374 726f  e=\"#2ccc28\" stro\n-0001cc10: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-0001cc20: 3222 2064 3d22 4d31 3235 362e 3132 2c2d  2\" d=\"M1256.12,-\n-0001cc30: 3732 302e 3531 4331 3139 302e 3134 2c2d  720.51C1190.14,-\n-0001cc40: 3732 302e 3538 2031 3033 342e 3732 2c2d  720.58 1034.72,-\n-0001cc50: 3731 352e 3538 2039 3134 2c2d 3637 312e  715.58 914,-671.\n-0001cc60: 3537 2038 3030 2e37 322c 2d36 3330 2e32  57 800.72,-630.2\n-0001cc70: 3720 3735 372e 392c 2d35 3937 2e30 3920  7 757.9,-597.09 \n-0001cc80: 3731 392c 2d34 3832 2e39 3620 3731 352e  719,-482.96 715.\n-0001cc90: 3135 2c2d 3437 312e 3636 2037 3133 2e37  15,-471.66 713.7\n-0001cca0: 2c2d 3436 362e 3739 2037 3139 2c2d 3435  ,-466.79 719,-45\n-0001ccb0: 362e 3039 2037 3339 2e36 322c 2d34 3134  6.09 739.62,-414\n-0001ccc0: 2e34 3720 3130 3036 2e32 342c 2d32 3239  .47 1006.24,-229\n-0001ccd0: 2e33 3620 3130 3838 2e38 2c2d 3137 322e  .36 1088.8,-172.\n-0001cce0: 3731 222f 3e0a 3c70 6f6c 7967 6f6e 2066  71\"/>.<polygon f\n-0001ccf0: 696c 6c3d 2223 3263 6363 3238 2220 7374  ill=\"#2ccc28\" st\n-0001cd00: 726f 6b65 3d22 2332 6363 6332 3822 2070  roke=\"#2ccc28\" p\n-0001cd10: 6f69 6e74 733d 2231 3039 302e 382c 2d31  oints=\"1090.8,-1\n-0001cd20: 3735 2e35 3820 3130 3937 2e30 372c 2d31  75.58 1097.07,-1\n-0001cd30: 3637 2e30 3420 3130 3836 2e38 342c 2d31  67.04 1086.84,-1\n-0001cd40: 3639 2e38 3120 3130 3930 2e38 2c2d 3137  69.81 1090.8,-17\n-0001cd50: 352e 3538 222f 3e0a 3c2f 673e 0a3c 212d  5.58\"/>.</g>.<!-\n-0001cd60: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-0001cd70: 6d61 6373 5f67 6d78 6c69 6226 2334 353b  macs_gmxlib&#45;\n-0001cd80: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0001cd90: 726f 6d61 6373 5f6d 646c 6962 202d 2d3e  romacs_mdlib -->\n-0001cda0: 0a3c 6720 6964 3d22 6564 6765 3139 3322  .<g id=\"edge193\"\n-0001cdb0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-0001cdc0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-0001cdd0: 5f67 726f 6d61 6373 5f67 6d78 6c69 6226  _gromacs_gmxlib&\n-0001cde0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0001cdf0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n-0001ce00: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-0001ce10: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-0001ce20: 653d 2223 3263 6363 3238 2220 7374 726f  e=\"#2ccc28\" stro\n-0001ce30: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-0001ce40: 3222 2064 3d22 4d31 3238 352e 3433 2c2d  2\" d=\"M1285.43,-\n-0001ce50: 3730 372e 3434 4331 3238 312e 3433 2c2d  707.44C1281.43,-\n-0001ce60: 3635 332e 3431 2031 3238 352e 3437 2c2d  653.41 1285.47,-\n-0001ce70: 3433 352e 3936 2031 3233 362c 2d32 3637  435.96 1236,-267\n-0001ce80: 2e34 3820 3132 3333 2e33 312c 2d32 3538  .48 1233.31,-258\n-0001ce90: 2e33 3120 3132 3238 2e38 352c 2d32 3438  .31 1228.85,-248\n-0001cea0: 2e38 3520 3132 3234 2e39 392c 2d32 3430  .85 1224.99,-240\n-0001ceb0: 2e37 3422 2f3e 0a3c 706f 6c79 676f 6e20  .74\"/>.<polygon \n-0001cec0: 6669 6c6c 3d22 2332 6363 6332 3822 2073  fill=\"#2ccc28\" s\n-0001ced0: 7472 6f6b 653d 2223 3263 6363 3238 2220  troke=\"#2ccc28\" \n-0001cee0: 706f 696e 7473 3d22 3132 3238 2e31 342c  points=\"1228.14,\n-0001cef0: 2d32 3339 2e32 3120 3132 3230 2e37 342c  -239.21 1220.74,\n-0001cf00: 2d32 3331 2e36 3420 3132 3231 2e38 2c2d  -231.64 1221.8,-\n-0001cf10: 3234 322e 3138 2031 3232 382e 3134 2c2d  242.18 1228.14,-\n-0001cf20: 3233 392e 3231 222f 3e0a 3c2f 673e 0a3c  239.21\"/>.</g>.<\n-0001cf30: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-0001cf40: 726f 6d61 6373 5f67 6d78 6c69 6226 2334  romacs_gmxlib&#4\n-0001cf50: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-0001cf60: 5f67 726f 6d61 6373 5f6d 6474 7970 6573  _gromacs_mdtypes\n-0001cf70: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-0001cf80: 3139 3122 2063 6c61 7373 3d22 6564 6765  191\" class=\"edge\n-0001cf90: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-0001cfa0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n-0001cfb0: 6c69 6226 2334 353b 2667 743b 6d6f 6475  lib&#45;&gt;modu\n-0001cfc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-0001cfd0: 6474 7970 6573 3c2f 7469 746c 653e 0a3c  dtypes</title>.<\n-0001cfe0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-0001cff0: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n-0001d000: 2220 643d 224d 3132 3539 2e35 352c 2d37  \" d=\"M1259.55,-7\n-0001d010: 3134 2e37 3143 3132 3032 2e30 362c 2d37  14.71C1202.06,-7\n-0001d020: 3034 2e30 3120 3130 3731 2e37 342c 2d36  04.01 1071.74,-6\n-0001d030: 3739 2e37 3520 3130 3033 2e38 392c 2d36  79.75 1003.89,-6\n-0001d040: 3637 2e31 3222 2f3e 0a3c 706f 6c79 676f  67.12\"/>.<polygo\n-0001d050: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n-0001d060: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n-0001d070: 2220 706f 696e 7473 3d22 3130 3034 2e34  \" points=\"1004.4\n-0001d080: 322c 2d36 3633 2e36 3620 3939 332e 3935  2,-663.66 993.95\n-0001d090: 2c2d 3636 352e 3237 2031 3030 332e 3134  ,-665.27 1003.14\n-0001d0a0: 2c2d 3637 302e 3534 2031 3030 342e 3432  ,-670.54 1004.42\n-0001d0b0: 2c2d 3636 332e 3636 222f 3e0a 3c2f 673e  ,-663.66\"/>.</g>\n-0001d0c0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-0001d0d0: 5f67 726f 6d61 6373 5f67 6d78 6c69 6226  _gromacs_gmxlib&\n-0001d0e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0001d0f0: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61  rc_gromacs_comma\n-0001d100: 6e64 6c69 6e65 202d 2d3e 0a3c 6720 6964  ndline -->.<g id\n-0001d110: 3d22 6564 6765 3139 3022 2063 6c61 7373  =\"edge190\" class\n-0001d120: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-0001d130: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001d140: 6373 5f67 6d78 6c69 6226 2334 353b 2667  cs_gmxlib&#45;&g\n-0001d150: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0001d160: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65  macs_commandline\n-0001d170: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-0001d180: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-0001d190: 653d 2262 6c61 636b 2220 7374 726f 6b65  e=\"black\" stroke\n-0001d1a0: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n-0001d1b0: 2064 3d22 4d31 3330 322e 3734 2c2d 3730   d=\"M1302.74,-70\n-0001d1c0: 392e 3039 4331 3335 362e 3931 2c2d 3636  9.09C1356.91,-66\n-0001d1d0: 382e 3333 2031 3534 372e 3636 2c2d 3531  8.33 1547.66,-51\n-0001d1e0: 3920 3136 3539 2c2d 3335 372e 3232 2031  9 1659,-357.22 1\n-0001d1f0: 3731 382e 3434 2c2d 3237 302e 3835 2031  718.44,-270.85 1\n-0001d200: 3637 372e 3038 2c2d 3231 312e 3839 2031  677.08,-211.89 1\n-0001d210: 3735 352c 2d31 3431 2e37 3420 3137 3830  755,-141.74 1780\n-0001d220: 2e34 332c 2d31 3138 2e38 3520 3138 3136  .43,-118.85 1816\n-0001d230: 2e38 342c 2d31 3036 2e37 3620 3138 3437  .84,-106.76 1847\n-0001d240: 2e33 2c2d 3130 302e 3338 222f 3e0a 3c70  .3,-100.38\"/>.<p\n-0001d250: 6f6c 7967 6f6e 2066 696c 6c3d 2262 6c61  olygon fill=\"bla\n-0001d260: 636b 2220 7374 726f 6b65 3d22 626c 6163  ck\" stroke=\"blac\n-0001d270: 6b22 2070 6f69 6e74 733d 2231 3834 382e  k\" points=\"1848.\n-0001d280: 3233 2c2d 3130 332e 3737 2031 3835 372e  23,-103.77 1857.\n-0001d290: 3338 2c2d 3938 2e34 3320 3138 3436 2e39  38,-98.43 1846.9\n-0001d2a0: 2c2d 3936 2e39 2031 3834 382e 3233 2c2d  ,-96.9 1848.23,-\n-0001d2b0: 3130 332e 3737 222f 3e0a 3c2f 673e 0a3c  103.77\"/>.</g>.<\n-0001d2c0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-0001d2d0: 726f 6d61 6373 5f67 6d78 6c69 6226 2334  romacs_gmxlib&#4\n-0001d2e0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-0001d2f0: 5f67 726f 6d61 6373 5f65 7761 6c64 202d  _gromacs_ewald -\n-0001d300: 2d3e 0a3c 6720 6964 3d22 6564 6765 3139  ->.<g id=\"edge19\n-0001d310: 3222 2063 6c61 7373 3d22 6564 6765 223e  2\" class=\"edge\">\n-0001d320: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-0001d330: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69  rc_gromacs_gmxli\n-0001d340: 6226 2334 353b 2667 743b 6d6f 6475 6c65  b&#45;&gt;module\n-0001d350: 5f73 7263 5f67 726f 6d61 6373 5f65 7761  _src_gromacs_ewa\n-0001d360: 6c64 3c2f 7469 746c 653e 0a3c 7061 7468  ld</title>.<path\n-0001d370: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-0001d380: 6f6b 653d 2223 3263 6363 3238 2220 7374  oke=\"#2ccc28\" st\n-0001d390: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n-0001d3a0: 352c 3222 2064 3d22 4d31 3237 372e 3934  5,2\" d=\"M1277.94\n-0001d3b0: 2c2d 3730 382e 3243 3132 3630 2e35 2c2d  ,-708.2C1260.5,-\n-0001d3c0: 3638 302e 3131 2031 3232 362e 3731 2c2d  680.11 1226.71,-\n-0001d3d0: 3630 372e 3037 2031 3139 392c 2d35 3435  607.07 1199,-545\n-0001d3e0: 2e38 3320 3131 3638 2e33 392c 2d34 3738  .83 1168.39,-478\n-0001d3f0: 2e31 3820 3131 3737 2e31 362c 2d34 3531  .18 1177.16,-451\n-0001d400: 2e33 3820 3131 3331 2c2d 3339 332e 3232  .38 1131,-393.22\n-0001d410: 2031 3034 342e 372c 2d32 3834 2e34 3820   1044.7,-284.48 \n-0001d420: 3130 3039 2e37 382c 2d32 3538 2e38 3820  1009.78,-258.88 \n-0001d430: 3838 322c 2d32 3034 2e36 3120 3833 342e  882,-204.61 834.\n-0001d440: 3739 2c2d 3138 342e 3536 2036 3839 2e32  79,-184.56 689.2\n-0001d450: 362c 2d31 3637 2e38 2036 3139 2e32 322c  6,-167.8 619.22,\n-0001d460: 2d31 3630 2e33 3422 2f3e 0a3c 706f 6c79  -160.34\"/>.<poly\n-0001d470: 676f 6e20 6669 6c6c 3d22 2332 6363 6332  gon fill=\"#2ccc2\n-0001d480: 3822 2073 7472 6f6b 653d 2223 3263 6363  8\" stroke=\"#2ccc\n-0001d490: 3238 2220 706f 696e 7473 3d22 3631 392e  28\" points=\"619.\n-0001d4a0: 3336 2c2d 3135 362e 3833 2036 3039 2e30  36,-156.83 609.0\n-0001d4b0: 352c 2d31 3539 2e32 3620 3631 382e 3632  5,-159.26 618.62\n-0001d4c0: 2c2d 3136 332e 3739 2036 3139 2e33 362c  ,-163.79 619.36,\n-0001d4d0: 2d31 3536 2e38 3322 2f3e 0a3c 2f67 3e0a  -156.83\"/>.</g>.\n-0001d4e0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-0001d4f0: 6772 6f6d 6163 735f 6d64 7479 7065 7326  gromacs_mdtypes&\n-0001d500: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0001d510: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465  rc_gromacs_domde\n-0001d520: 6320 2d2d 3e0a 3c67 2069 643d 2265 6467  c -->.<g id=\"edg\n-0001d530: 6531 3936 2220 636c 6173 733d 2265 6467  e196\" class=\"edg\n-0001d540: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-0001d550: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-0001d560: 7479 7065 7326 2334 353b 2667 743b 6d6f  types&#45;&gt;mo\n-0001d570: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001d580: 5f64 6f6d 6465 633c 2f74 6974 6c65 3e0a  _domdec</title>.\n-0001d590: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-0001d5a0: 2220 7374 726f 6b65 3d22 7265 6422 2064  \" stroke=\"red\" d\n-0001d5b0: 3d22 4d39 3334 2e36 372c 2d36 3638 2e30  =\"M934.67,-668.0\n-0001d5c0: 3143 3839 362e 3731 2c2d 3637 392e 3434  1C896.71,-679.44\n-0001d5d0: 2038 3330 2e39 332c 2d36 3938 2e38 3920   830.93,-698.89 \n-0001d5e0: 3832 332c 2d37 3037 2e35 3720 3735 362e  823,-707.57 756.\n-0001d5f0: 3639 2c2d 3738 302e 3135 2038 3330 2e37  69,-780.15 830.7\n-0001d600: 2c2d 3834 332e 3435 2037 3733 2c2d 3932  ,-843.45 773,-92\n-0001d610: 332e 3035 2037 3630 2e35 392c 2d39 3430  3.05 760.59,-940\n-0001d620: 2e31 3820 3734 302e 3039 2c2d 3935 322e  .18 740.09,-952.\n-0001d630: 3432 2037 3231 2e37 362c 2d39 3630 2e33  42 721.76,-960.3\n-0001d640: 3122 2f3e 0a3c 706f 6c79 676f 6e20 6669  1\"/>.<polygon fi\n-0001d650: 6c6c 3d22 7265 6422 2073 7472 6f6b 653d  ll=\"red\" stroke=\n-0001d660: 2272 6564 2220 706f 696e 7473 3d22 3732  \"red\" points=\"72\n-0001d670: 302e 3431 2c2d 3935 372e 3038 2037 3132  0.41,-957.08 712\n-0001d680: 2e34 332c 2d39 3634 2e30 3420 3732 332e  .43,-964.04 723.\n-0001d690: 3031 2c2d 3936 332e 3538 2037 3230 2e34  01,-963.58 720.4\n-0001d6a0: 312c 2d39 3537 2e30 3822 2f3e 0a3c 2f67  1,-957.08\"/>.</g\n-0001d6b0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-0001d6c0: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n-0001d6d0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-0001d6e0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c  _src_gromacs_mdl\n-0001d6f0: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564  ib -->.<g id=\"ed\n-0001d700: 6765 3139 3822 2063 6c61 7373 3d22 6564  ge198\" class=\"ed\n-0001d710: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-0001d720: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-0001d730: 6474 7970 6573 2623 3435 3b26 6774 3b6d  dtypes&#45;&gt;m\n-0001d740: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0001d750: 735f 6d64 6c69 623c 2f74 6974 6c65 3e0a  s_mdlib</title>.\n-0001d760: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-0001d770: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-0001d780: 6622 2064 3d22 4d39 3637 2e33 382c 2d36  f\" d=\"M967.38,-6\n-0001d790: 3434 2e37 3243 3938 372e 3634 2c2d 3631  44.72C987.64,-61\n-0001d7a0: 372e 3037 2031 3034 372e 3036 2c2d 3534  7.07 1047.06,-54\n-0001d7b0: 372e 3738 2031 3038 372c 2d34 3832 2e39  7.78 1087,-482.9\n-0001d7c0: 3620 3131 3139 2e34 392c 2d34 3330 2e32  6 1119.49,-430.2\n-0001d7d0: 3520 3131 3230 2e36 352c 2d34 3133 2e32  5 1120.65,-413.2\n-0001d7e0: 3620 3131 3437 2c2d 3335 372e 3232 2031  6 1147,-357.22 1\n-0001d7f0: 3136 362e 3534 2c2d 3331 352e 3637 2031  166.54,-315.67 1\n-0001d800: 3138 392e 3032 2c2d 3236 362e 3920 3132  189.02,-266.9 12\n-0001d810: 3034 2e32 372c 2d32 3339 2e38 3322 2f3e  04.27,-239.83\"/>\n-0001d820: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-0001d830: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n-0001d840: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n-0001d850: 3d22 3132 3037 2e34 382c 2d32 3431 2e32  =\"1207.48,-241.2\n-0001d860: 3920 3132 3039 2e35 342c 2d32 3330 2e39  9 1209.54,-230.9\n-0001d870: 2031 3230 312e 3435 2c2d 3233 372e 3733   1201.45,-237.73\n-0001d880: 2031 3230 372e 3438 2c2d 3234 312e 3239   1207.48,-241.29\n-0001d890: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-0001d8a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001d8b0: 5f6d 6474 7970 6573 2623 3435 3b26 6774  _mdtypes&#45;&gt\n-0001d8c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0001d8d0: 6163 735f 6770 755f 7574 696c 7320 2d2d  acs_gpu_utils --\n-0001d8e0: 3e0a 3c67 2069 643d 2265 6467 6531 3935  >.<g id=\"edge195\n-0001d8f0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-0001d900: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-0001d910: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n-0001d920: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-0001d930: 5f73 7263 5f67 726f 6d61 6373 5f67 7075  _src_gromacs_gpu\n-0001d940: 5f75 7469 6c73 3c2f 7469 746c 653e 0a3c  _utils</title>.<\n-0001d950: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-0001d960: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-0001d970: 2220 643d 224d 3932 342e 3639 2c2d 3635  \" d=\"M924.69,-65\n-0001d980: 332e 3934 4338 3933 2e33 332c 2d36 3439  3.94C893.33,-649\n-0001d990: 2e31 3720 3834 392e 3638 2c2d 3633 372e  .17 849.68,-637.\n-0001d9a0: 3433 2038 3235 2c2d 3630 382e 3720 3737  43 825,-608.7 77\n-0001d9b0: 392e 3738 2c2d 3535 362e 3036 2038 3339  9.78,-556.06 839\n-0001d9c0: 2e34 322c 2d35 3036 2e37 3620 3739 322c  .42,-506.76 792,\n-0001d9d0: 2d34 3536 2e30 3920 3736 332e 3433 2c2d  -456.09 763.43,-\n-0001d9e0: 3432 352e 3537 2037 3137 2e30 352c 2d34  425.57 717.05,-4\n-0001d9f0: 3133 2e38 3420 3638 312e 3438 2c2d 3430  13.84 681.48,-40\n-0001da00: 392e 3533 222f 3e0a 3c70 6f6c 7967 6f6e  9.53\"/>.<polygon\n-0001da10: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n-0001da20: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-0001da30: 2070 6f69 6e74 733d 2236 3831 2e36 2c2d   points=\"681.6,-\n-0001da40: 3430 362e 3033 2036 3731 2e32 392c 2d34  406.03 671.29,-4\n-0001da50: 3038 2e34 3720 3638 302e 3837 2c2d 3431  08.47 680.87,-41\n-0001da60: 322e 3939 2036 3831 2e36 2c2d 3430 362e  2.99 681.6,-406.\n-0001da70: 3033 222f 3e0a 3c2f 673e 0a3c 212d 2d20  03\"/>.</g>.<!-- \n-0001da80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001da90: 6373 5f6d 6474 7970 6573 2623 3435 3b26  cs_mdtypes&#45;&\n-0001daa0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-0001dab0: 6f6d 6163 735f 6577 616c 6420 2d2d 3e0a  omacs_ewald -->.\n-0001dac0: 3c67 2069 643d 2265 6467 6531 3939 2220  <g id=\"edge199\" \n-0001dad0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-0001dae0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-0001daf0: 6772 6f6d 6163 735f 6d64 7479 7065 7326  gromacs_mdtypes&\n-0001db00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0001db10: 7263 5f67 726f 6d61 6373 5f65 7761 6c64  rc_gromacs_ewald\n-0001db20: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-0001db30: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-0001db40: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n-0001db50: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-0001db60: 3222 2064 3d22 4d39 3538 2e30 382c 2d36  2\" d=\"M958.08,-6\n-0001db70: 3434 2e35 4339 3534 2e38 352c 2d36 3030  44.5C954.85,-600\n-0001db80: 2e35 3720 3936 322c 2d34 3534 2e35 3820  .57 962,-454.58 \n-0001db90: 3936 322c 2d34 3037 2e36 3620 3936 322c  962,-407.66 962,\n-0001dba0: 2d34 3037 2e36 3620 3936 322c 2d34 3037  -407.66 962,-407\n-0001dbb0: 2e36 3620 3936 322c 2d33 3432 2e37 3920  .66 962,-342.79 \n-0001dbc0: 3936 322c 2d31 3930 2e35 3220 3731 372e  962,-190.52 717.\n-0001dbd0: 3131 2c2d 3136 322e 3339 2036 3139 2e39  11,-162.39 619.9\n-0001dbe0: 322c 2d31 3537 2e32 3822 2f3e 0a3c 706f  2,-157.28\"/>.<po\n-0001dbf0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-0001dc00: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-0001dc10: 3266 6363 2220 706f 696e 7473 3d22 3632  2fcc\" points=\"62\n-0001dc20: 302e 3035 2c2d 3135 332e 3738 2036 3039  0.05,-153.78 609\n-0001dc30: 2e39 2c2d 3135 362e 3820 3631 392e 3732  .9,-156.8 619.72\n-0001dc40: 2c2d 3136 302e 3737 2036 3230 2e30 352c  ,-160.77 620.05,\n-0001dc50: 2d31 3533 2e37 3822 2f3e 0a3c 2f67 3e0a  -153.78\"/>.</g>.\n-0001dc60: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-0001dc70: 6772 6f6d 6163 735f 6d64 7479 7065 7326  gromacs_mdtypes&\n-0001dc80: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0001dc90: 7263 5f67 726f 6d61 6373 5f66 696c 6569  rc_gromacs_filei\n-0001dca0: 6f20 2d2d 3e0a 3c67 2069 643d 2265 6467  o -->.<g id=\"edg\n-0001dcb0: 6532 3030 2220 636c 6173 733d 2265 6467  e200\" class=\"edg\n-0001dcc0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-0001dcd0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-0001dce0: 7479 7065 7326 2334 353b 2667 743b 6d6f  types&#45;&gt;mo\n-0001dcf0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001dd00: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a  _fileio</title>.\n-0001dd10: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-0001dd20: 2220 7374 726f 6b65 3d22 2332 6363 6332  \" stroke=\"#2ccc2\n-0001dd30: 3822 2073 7472 6f6b 652d 6461 7368 6172  8\" stroke-dashar\n-0001dd40: 7261 793d 2235 2c32 2220 643d 224d 3939  ray=\"5,2\" d=\"M99\n-0001dd50: 342e 3534 2c2d 3636 342e 3636 4331 3033  4.54,-664.66C103\n-0001dd60: 342e 3638 2c2d 3637 322e 3733 2031 3039  4.68,-672.73 109\n-0001dd70: 372e 3632 2c2d 3638 382e 3832 2031 3131  7.62,-688.82 111\n-0001dd80: 312c 2d37 3037 2e35 3720 3131 3137 2e39  1,-707.57 1117.9\n-0001dd90: 342c 2d37 3137 2e32 3920 3131 3136 2e35  4,-717.29 1116.5\n-0001dda0: 392c 2d37 3233 2e38 3920 3131 3131 2c2d  9,-723.89 1111,-\n-0001ddb0: 3733 342e 3434 2031 3039 372e 3637 2c2d  734.44 1097.67,-\n-0001ddc0: 3735 392e 3620 3130 3731 2e33 332c 2d37  759.6 1071.33,-7\n-0001ddd0: 3435 2e32 3820 3130 3538 2c2d 3737 302e  45.28 1058,-770.\n-0001dde0: 3434 2031 3035 322e 3431 2c2d 3738 302e  44 1052.41,-780.\n-0001ddf0: 3939 2031 3035 302e 3736 2c2d 3738 372e  99 1050.76,-787.\n-0001de00: 3831 2031 3035 382c 2d37 3937 2e33 3120  81 1058,-797.31 \n-0001de10: 3130 3839 2e38 342c 2d38 3339 2e31 3220  1089.84,-839.12 \n-0001de20: 3132 3334 2e37 322c 2d38 3438 2e36 3720  1234.72,-848.67 \n-0001de30: 3132 3836 2c2d 3836 302e 3138 2031 3336  1286,-860.18 136\n-0001de40: 392e 342c 2d38 3738 2e39 2031 3436 382e  9.4,-878.9 1468.\n-0001de50: 3236 2c2d 3839 342e 3620 3135 3139 2e39  26,-894.6 1519.9\n-0001de60: 312c 2d39 3032 2e37 222f 3e0a 3c70 6f6c  1,-902.7\"/>.<pol\n-0001de70: 7967 6f6e 2066 696c 6c3d 2223 3263 6363  ygon fill=\"#2ccc\n-0001de80: 3238 2220 7374 726f 6b65 3d22 2332 6363  28\" stroke=\"#2cc\n-0001de90: 6332 3822 2070 6f69 6e74 733d 2231 3531  c28\" points=\"151\n-0001dea0: 392e 3437 2c2d 3930 362e 3138 2031 3532  9.47,-906.18 152\n-0001deb0: 392e 3839 2c2d 3930 342e 3237 2031 3532  9.89,-904.27 152\n-0001dec0: 302e 3535 2c2d 3839 392e 3236 2031 3531  0.55,-899.26 151\n-0001ded0: 392e 3437 2c2d 3930 362e 3138 222f 3e0a  9.47,-906.18\"/>.\n-0001dee0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-0001def0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474  _src_gromacs_mdt\n-0001df00: 7970 6573 2623 3435 3b26 6774 3b6d 6f64  ypes&#45;&gt;mod\n-0001df10: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0001df20: 6170 706c 6965 645f 666f 7263 6573 5f61  applied_forces_a\n-0001df30: 7768 202d 2d3e 0a3c 6720 6964 3d22 6564  wh -->.<g id=\"ed\n-0001df40: 6765 3139 3722 2063 6c61 7373 3d22 6564  ge197\" class=\"ed\n-0001df50: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-0001df60: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-0001df70: 6474 7970 6573 2623 3435 3b26 6774 3b6d  dtypes&#45;&gt;m\n-0001df80: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0001df90: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n-0001dfa0: 5f61 7768 3c2f 7469 746c 653e 0a3c 7061  _awh</title>.<pa\n-0001dfb0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-0001dfc0: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-0001dfd0: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n-0001dfe0: 3d22 352c 3222 2064 3d22 4d39 3937 2e31  =\"5,2\" d=\"M997.1\n-0001dff0: 332c 2d36 3533 2e35 3143 3131 3132 2e38  3,-653.51C1112.8\n-0001e000: 312c 2d36 3432 2e34 3920 3134 3732 2e35  1,-642.49 1472.5\n-0001e010: 322c 2d36 3039 2e35 3220 3135 3838 2e35  2,-609.52 1588.5\n-0001e020: 392c 2d35 3939 2e33 3122 2f3e 0a3c 706f  9,-599.31\"/>.<po\n-0001e030: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-0001e040: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-0001e050: 3266 6363 2220 706f 696e 7473 3d22 3135  2fcc\" points=\"15\n-0001e060: 3839 2e30 382c 2d36 3032 2e37 3820 3135  89.08,-602.78 15\n-0001e070: 3938 2e37 332c 2d35 3938 2e34 3320 3135  98.73,-598.43 15\n-0001e080: 3838 2e34 372c 2d35 3935 2e38 3120 3135  88.47,-595.81 15\n-0001e090: 3839 2e30 382c 2d36 3032 2e37 3822 2f3e  89.08,-602.78\"/>\n-0001e0a0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-0001e0b0: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n-0001e0c0: 6d6d 616e 646c 696e 6526 2334 353b 2667  mmandline&#45;&g\n-0001e0d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0001e0e0: 6d61 6373 5f6f 7074 696f 6e73 202d 2d3e  macs_options -->\n-0001e0f0: 0a3c 6720 6964 3d22 6564 6765 3230 3122  .<g id=\"edge201\"\n-0001e100: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-0001e110: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-0001e120: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64  _gromacs_command\n-0001e130: 6c69 6e65 2623 3435 3b26 6774 3b6d 6f64  line&#45;&gt;mod\n-0001e140: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0001e150: 6f70 7469 6f6e 733c 2f74 6974 6c65 3e0a  options</title>.\n-0001e160: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-0001e170: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-0001e180: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n-0001e190: 7261 793d 2235 2c32 2220 643d 224d 3139  ray=\"5,2\" d=\"M19\n-0001e1a0: 3034 2c2d 3738 2e36 3943 3139 3034 2c2d  04,-78.69C1904,-\n-0001e1b0: 3731 2e33 3520 3139 3034 2c2d 3631 2e38  71.35 1904,-61.8\n-0001e1c0: 3620 3139 3034 2c2d 3533 2e32 3522 2f3e  6 1904,-53.25\"/>\n-0001e1d0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-0001e1e0: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n-0001e1f0: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n-0001e200: 3d22 3139 3037 2e35 2c2d 3533 2e30 3320  =\"1907.5,-53.03 \n-0001e210: 3139 3034 2c2d 3433 2e30 3320 3139 3030  1904,-43.03 1900\n-0001e220: 2e35 2c2d 3533 2e30 3320 3139 3037 2e35  .5,-53.03 1907.5\n-0001e230: 2c2d 3533 2e30 3322 2f3e 0a3c 2f67 3e0a  ,-53.03\"/>.</g>.\n-0001e240: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-0001e250: 6772 6f6d 6163 735f 636f 6d6d 616e 646c  gromacs_commandl\n-0001e260: 696e 6526 2334 353b 2667 743b 6d6f 6475  ine&#45;&gt;modu\n-0001e270: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6f  le_src_gromacs_o\n-0001e280: 6e6c 696e 6568 656c 7020 2d2d 3e0a 3c67  nlinehelp -->.<g\n-0001e290: 2069 643d 2265 6467 6532 3032 2220 636c   id=\"edge202\" cl\n-0001e2a0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-0001e2b0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-0001e2c0: 6f6d 6163 735f 636f 6d6d 616e 646c 696e  omacs_commandlin\n-0001e2d0: 6526 2334 353b 2667 743b 6d6f 6475 6c65  e&#45;&gt;module\n-0001e2e0: 5f73 7263 5f67 726f 6d61 6373 5f6f 6e6c  _src_gromacs_onl\n-0001e2f0: 696e 6568 656c 703c 2f74 6974 6c65 3e0a  inehelp</title>.\n-0001e300: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-0001e310: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-0001e320: 6322 2064 3d22 4d31 3934 362e 3738 2c2d  c\" d=\"M1946.78,-\n-0001e330: 3834 2e35 3643 3230 3139 2e37 312c 2d37  84.56C2019.71,-7\n-0001e340: 332e 3036 2032 3136 372e 3532 2c2d 3439  3.06 2167.52,-49\n-0001e350: 2e37 3520 3232 3433 2e31 342c 2d33 372e  .75 2243.14,-37.\n-0001e360: 3832 222f 3e0a 3c70 6f6c 7967 6f6e 2066  82\"/>.<polygon f\n-0001e370: 696c 6c3d 2223 3238 3266 6363 2220 7374  ill=\"#282fcc\" st\n-0001e380: 726f 6b65 3d22 2332 3832 6663 6322 2070  roke=\"#282fcc\" p\n-0001e390: 6f69 6e74 733d 2232 3234 332e 3938 2c2d  oints=\"2243.98,-\n-0001e3a0: 3431 2e32 3420 3232 3533 2e33 312c 2d33  41.24 2253.31,-3\n-0001e3b0: 362e 3232 2032 3234 322e 3839 2c2d 3334  6.22 2242.89,-34\n-0001e3c0: 2e33 3220 3232 3433 2e39 382c 2d34 312e  .32 2243.98,-41.\n-0001e3d0: 3234 222f 3e0a 3c2f 673e 0a3c 212d 2d20  24\"/>.</g>.<!-- \n-0001e3e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001e3f0: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 2623  cs_commandline&#\n-0001e400: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0001e410: 635f 6772 6f6d 6163 735f 6669 6c65 696f  c_gromacs_fileio\n-0001e420: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-0001e430: 3230 3322 2063 6c61 7373 3d22 6564 6765  203\" class=\"edge\n-0001e440: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-0001e450: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d  _src_gromacs_com\n-0001e460: 6d61 6e64 6c69 6e65 2623 3435 3b26 6774  mandline&#45;&gt\n-0001e470: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0001e480: 6163 735f 6669 6c65 696f 3c2f 7469 746c  acs_fileio</titl\n-0001e490: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-0001e4a0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n-0001e4b0: 6266 6266 2220 643d 224d 3139 3530 2e32  bfbf\" d=\"M1950.2\n-0001e4c0: 332c 2d39 382e 3736 4331 3937 392e 3034  3,-98.76C1979.04\n-0001e4d0: 2c2d 3130 342e 3620 3230 3134 2e35 372c  ,-104.6 2014.57,\n-0001e4e0: 2d31 3136 2e37 2032 3033 362c 2d31 3431  -116.7 2036,-141\n-0001e4f0: 2e37 3420 3230 3538 2e31 392c 2d31 3637  .74 2058.19,-167\n-0001e500: 2e36 3720 3230 3531 2c2d 3138 322e 3932  .67 2051,-182.92\n-0001e510: 2032 3035 312c 2d32 3137 2e30 3520 3230   2051,-217.05 20\n-0001e520: 3531 2c2d 3334 342e 3739 2032 3035 312c  51,-344.79 2051,\n-0001e530: 2d33 3434 2e37 3920 3230 3531 2c2d 3334  -344.79 2051,-34\n-0001e540: 342e 3739 2032 3035 312c 2d33 3439 2e39  4.79 2051,-349.9\n-0001e550: 2031 3934 352e 3937 2c2d 3738 302e 3532   1945.97,-780.52\n-0001e560: 2031 3831 352c 2d38 3630 2e31 3820 3137   1815,-860.18 17\n-0001e570: 3737 2e39 322c 2d38 3832 2e37 3420 3136  77.92,-882.74 16\n-0001e580: 3533 2e38 2c2d 3839 382e 3339 2031 3539  53.8,-898.39 159\n-0001e590: 312e 3433 2c2d 3930 352e 3034 222f 3e0a  1.43,-905.04\"/>.\n-0001e5a0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-0001e5b0: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n-0001e5c0: 2362 6662 6662 6622 2070 6f69 6e74 733d  #bfbfbf\" points=\n-0001e5d0: 2231 3539 302e 3833 2c2d 3930 312e 3538  \"1590.83,-901.58\n-0001e5e0: 2031 3538 312e 3235 2c2d 3930 362e 3120   1581.25,-906.1 \n-0001e5f0: 3135 3931 2e35 362c 2d39 3038 2e35 3420  1591.56,-908.54 \n-0001e600: 3135 3930 2e38 332c 2d39 3031 2e35 3822  1590.83,-901.58\"\n-0001e610: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-0001e620: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0001e630: 6c69 6e65 6172 616c 6765 6272 6120 2d2d  linearalgebra --\n-0001e640: 3e0a 3c67 2069 643d 226e 6f64 6533 3622  >.<g id=\"node36\"\n-0001e650: 2063 6c61 7373 3d22 6e6f 6465 223e 0a3c   class=\"node\">.<\n-0001e660: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-0001e670: 5f67 726f 6d61 6373 5f6c 696e 6561 7261  _gromacs_lineara\n-0001e680: 6c67 6562 7261 3c2f 7469 746c 653e 0a3c  lgebra</title>.<\n-0001e690: 656c 6c69 7073 6520 6669 6c6c 3d22 2362  ellipse fill=\"#b\n-0001e6a0: 6662 6662 6622 2073 7472 6f6b 653d 2262  fbfbf\" stroke=\"b\n-0001e6b0: 6c61 636b 2220 6378 3d22 3330 3322 2063  lack\" cx=\"303\" c\n-0001e6c0: 793d 222d 3132 3233 2e39 3722 2072 783d  y=\"-1223.97\" rx=\n-0001e6d0: 2235 302e 3431 2220 7279 3d22 3133 2e33  \"50.41\" ry=\"13.3\n-0001e6e0: 3722 2f3e 0a3c 7465 7874 2074 6578 742d  7\"/>.<text text-\n-0001e6f0: 616e 6368 6f72 3d22 6d69 6464 6c65 2220  anchor=\"middle\" \n-0001e700: 783d 2233 3033 2220 793d 222d 3132 3231  x=\"303\" y=\"-1221\n-0001e710: 2e34 3722 2066 6f6e 742d 6661 6d69 6c79  .47\" font-family\n-0001e720: 3d22 4672 6565 5361 6e73 2220 666f 6e74  =\"FreeSans\" font\n-0001e730: 2d73 697a 653d 2231 302e 3030 223e 6c69  -size=\"10.00\">li\n-0001e740: 6e65 6172 616c 6765 6272 613c 2f74 6578  nearalgebra</tex\n-0001e750: 743e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  t>.</g>.<!-- mod\n-0001e760: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0001e770: 6d6f 6475 6c61 7273 696d 756c 6174 6f72  modularsimulator\n-0001e780: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0001e790: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n-0001e7a0: 6e20 2d2d 3e0a 3c67 2069 643d 2265 6467  n -->.<g id=\"edg\n-0001e7b0: 6532 3133 2220 636c 6173 733d 2265 6467  e213\" class=\"edg\n-0001e7c0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-0001e7d0: 655f 7372 635f 6772 6f6d 6163 735f 6d6f  e_src_gromacs_mo\n-0001e7e0: 6475 6c61 7273 696d 756c 6174 6f72 2623  dularsimulator&#\n-0001e7f0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0001e800: 635f 6772 6f6d 6163 735f 6d64 7275 6e3c  c_gromacs_mdrun<\n-0001e810: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-0001e820: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-0001e830: 3d22 7265 6422 2064 3d22 4d36 3731 2e33  =\"red\" d=\"M671.3\n-0001e840: 2c2d 3836 302e 3432 4336 3539 2e31 312c  ,-860.42C659.11,\n-0001e850: 2d38 3835 2e33 3320 3632 382e 3236 2c2d  -885.33 628.26,-\n-0001e860: 3934 322e 3037 2036 3438 2c2d 3938 352e  942.07 648,-985.\n-0001e870: 3932 2036 3737 2e30 382c 2d31 3035 302e  92 677.08,-1050.\n-0001e880: 3531 2037 3631 2e36 2c2d 3130 3738 2e35  51 761.6,-1078.5\n-0001e890: 3320 3831 312e 342c 2d31 3038 392e 3938  3 811.4,-1089.98\n-0001e8a0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-0001e8b0: 6c3d 2272 6564 2220 7374 726f 6b65 3d22  l=\"red\" stroke=\"\n-0001e8c0: 7265 6422 2070 6f69 6e74 733d 2238 3130  red\" points=\"810\n-0001e8d0: 2e36 362c 2d31 3039 332e 3420 3832 312e  .66,-1093.4 821.\n-0001e8e0: 3138 2c2d 3130 3932 2e31 3120 3831 322e  18,-1092.11 812.\n-0001e8f0: 3135 2c2d 3130 3836 2e35 3620 3831 302e  15,-1086.56 810.\n-0001e900: 3636 2c2d 3130 3933 2e34 222f 3e0a 3c2f  66,-1093.4\"/>.</\n-0001e910: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-0001e920: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c  rc_gromacs_modul\n-0001e930: 6172 7369 6d75 6c61 746f 7226 2334 353b  arsimulator&#45;\n-0001e940: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0001e950: 726f 6d61 6373 5f74 6173 6b61 7373 6967  romacs_taskassig\n-0001e960: 6e6d 656e 7420 2d2d 3e0a 3c67 2069 643d  nment -->.<g id=\n-0001e970: 2265 6467 6532 3134 2220 636c 6173 733d  \"edge214\" class=\n-0001e980: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-0001e990: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0001e9a0: 735f 6d6f 6475 6c61 7273 696d 756c 6174  s_modularsimulat\n-0001e9b0: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c  or&#45;&gt;modul\n-0001e9c0: 655f 7372 635f 6772 6f6d 6163 735f 7461  e_src_gromacs_ta\n-0001e9d0: 736b 6173 7369 676e 6d65 6e74 3c2f 7469  skassignment</ti\n-0001e9e0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-0001e9f0: 226e 6f6e 6522 2073 7472 6f6b 653d 2272  \"none\" stroke=\"r\n-0001ea00: 6564 2220 643d 224d 3634 392e 3432 2c2d  ed\" d=\"M649.42,-\n-0001ea10: 3833 342e 3343 3632 382e 3035 2c2d 3832  834.3C628.05,-82\n-0001ea20: 342e 3733 2035 3937 2e33 372c 2d38 3131  4.73 597.37,-811\n-0001ea30: 2035 3733 2e37 372c 2d38 3030 2e34 3422   573.77,-800.44\"\n-0001ea40: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-0001ea50: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n-0001ea60: 6564 2220 706f 696e 7473 3d22 3537 352e  ed\" points=\"575.\n-0001ea70: 3032 2c2d 3739 372e 3136 2035 3634 2e34  02,-797.16 564.4\n-0001ea80: 372c 2d37 3936 2e32 3720 3537 322e 3136  7,-796.27 572.16\n-0001ea90: 2c2d 3830 332e 3535 2035 3735 2e30 322c  ,-803.55 575.02,\n-0001eaa0: 2d37 3937 2e31 3622 2f3e 0a3c 2f67 3e0a  -797.16\"/>.</g>.\n-0001eab0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-0001eac0: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273  gromacs_modulars\n-0001ead0: 696d 756c 6174 6f72 2623 3435 3b26 6774  imulator&#45;&gt\n-0001eae0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0001eaf0: 6163 735f 6e62 6e78 6d20 2d2d 3e0a 3c67  acs_nbnxm -->.<g\n-0001eb00: 2069 643d 2265 6467 6532 3037 2220 636c   id=\"edge207\" cl\n-0001eb10: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-0001eb20: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-0001eb30: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d  omacs_modularsim\n-0001eb40: 756c 6174 6f72 2623 3435 3b26 6774 3b6d  ulator&#45;&gt;m\n-0001eb50: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0001eb60: 735f 6e62 6e78 6d3c 2f74 6974 6c65 3e0a  s_nbnxm</title>.\n-0001eb70: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-0001eb80: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-0001eb90: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n-0001eba0: 7261 793d 2235 2c32 2220 643d 224d 3636  ray=\"5,2\" d=\"M66\n-0001ebb0: 382e 3736 2c2d 3833 332e 3333 4336 3537  8.76,-833.33C657\n-0001ebc0: 2e31 342c 2d38 3038 2e34 2036 3335 2e30  .14,-808.4 635.0\n-0001ebd0: 322c 2d37 3530 2e39 3120 3635 342c 2d37  2,-750.91 654,-7\n-0001ebe0: 3037 2e35 3720 3636 332e 3436 2c2d 3638  07.57 663.46,-68\n-0001ebf0: 352e 3936 2036 3737 2e37 312c 2d36 3839  5.96 677.71,-689\n-0001ec00: 2e35 3420 3639 332c 2d36 3731 2e35 3720  .54 693,-671.57 \n-0001ec10: 3734 352e 3731 2c2d 3630 392e 3632 2037  745.71,-609.62 7\n-0001ec20: 3430 2e31 362c 2d35 3739 2e39 3320 3739  40.16,-579.93 79\n-0001ec30: 342c 2d35 3138 2e39 3620 3831 302e 3237  4,-518.96 810.27\n-0001ec40: 2c2d 3530 302e 3533 2038 3235 2e37 332c  ,-500.53 825.73,\n-0001ec50: 2d35 3035 2e33 2038 3336 2c2d 3438 322e  -505.3 836,-482.\n-0001ec60: 3936 2038 3535 2e32 362c 2d34 3431 2e30  96 855.26,-441.0\n-0001ec70: 3820 3832 302e 3335 2c2d 3339 302e 3820  8 820.35,-390.8 \n-0001ec80: 3739 372e 3137 2c2d 3336 332e 3933 222f  797.17,-363.93\"/\n-0001ec90: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-0001eca0: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-0001ecb0: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n-0001ecc0: 733d 2237 3939 2e37 2c2d 3336 312e 3531  s=\"799.7,-361.51\n-0001ecd0: 2037 3930 2e34 332c 2d33 3536 2e33 3820   790.43,-356.38 \n-0001ece0: 3739 342e 3438 2c2d 3336 362e 3137 2037  794.48,-366.17 7\n-0001ecf0: 3939 2e37 2c2d 3336 312e 3531 222f 3e0a  99.7,-361.51\"/>.\n-0001ed00: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-0001ed10: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64  _src_gromacs_mod\n-0001ed20: 756c 6172 7369 6d75 6c61 746f 7226 2334  ularsimulator&#4\n-0001ed30: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-0001ed40: 5f67 726f 6d61 6373 5f64 6f6d 6465 6320  _gromacs_domdec \n-0001ed50: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n-0001ed60: 3038 2220 636c 6173 733d 2265 6467 6522  08\" class=\"edge\"\n-0001ed70: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-0001ed80: 7372 635f 6772 6f6d 6163 735f 6d6f 6475  src_gromacs_modu\n-0001ed90: 6c61 7273 696d 756c 6174 6f72 2623 3435  larsimulator&#45\n-0001eda0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0001edb0: 6772 6f6d 6163 735f 646f 6d64 6563 3c2f  gromacs_domdec</\n-0001edc0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-0001edd0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-0001ede0: 2272 6564 2220 643d 224d 3637 352e 3931  \"red\" d=\"M675.91\n-0001edf0: 2c2d 3836 302e 3237 4336 3737 2e34 322c  ,-860.27C677.42,\n-0001ee00: 2d38 3830 2e39 3520 3638 302e 3434 2c2d  -880.95 680.44,-\n-0001ee10: 3932 322e 3536 2036 3832 2e33 342c 2d39  922.56 682.34,-9\n-0001ee20: 3438 2e36 3122 2f3e 0a3c 706f 6c79 676f  48.61\"/>.<polygo\n-0001ee30: 6e20 6669 6c6c 3d22 7265 6422 2073 7472  n fill=\"red\" str\n-0001ee40: 6f6b 653d 2272 6564 2220 706f 696e 7473  oke=\"red\" points\n-0001ee50: 3d22 3637 382e 3835 2c2d 3934 382e 3939  =\"678.85,-948.99\n-0001ee60: 2036 3833 2e30 372c 2d39 3538 2e37 3120   683.07,-958.71 \n-0001ee70: 3638 352e 3834 2c2d 3934 382e 3438 2036  685.84,-948.48 6\n-0001ee80: 3738 2e38 352c 2d39 3438 2e39 3922 2f3e  78.85,-948.99\"/>\n-0001ee90: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-0001eea0: 655f 7372 635f 6772 6f6d 6163 735f 6d6f  e_src_gromacs_mo\n-0001eeb0: 6475 6c61 7273 696d 756c 6174 6f72 2623  dularsimulator&#\n-0001eec0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0001eed0: 635f 6772 6f6d 6163 735f 6d64 6c69 6220  c_gromacs_mdlib \n-0001eee0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n-0001eef0: 3039 2220 636c 6173 733d 2265 6467 6522  09\" class=\"edge\"\n-0001ef00: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-0001ef10: 7372 635f 6772 6f6d 6163 735f 6d6f 6475  src_gromacs_modu\n-0001ef20: 6c61 7273 696d 756c 6174 6f72 2623 3435  larsimulator&#45\n-0001ef30: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0001ef40: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74  gromacs_mdlib</t\n-0001ef50: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-0001ef60: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-0001ef70: 7265 6422 2064 3d22 4d36 3833 2e34 312c  red\" d=\"M683.41,\n-0001ef80: 2d38 3333 2e34 3143 3638 392e 3636 2c2d  -833.41C689.66,-\n-0001ef90: 3832 332e 3836 2036 3938 2e31 2c2d 3831  823.86 698.1,-81\n-0001efa0: 302e 3133 2037 3034 2c2d 3739 372e 3331  0.13 704,-797.31\n-0001efb0: 2037 3231 2e35 372c 2d37 3539 2e31 2037   721.57,-759.1 7\n-0001efc0: 3035 2e31 342c 2d37 3338 2e31 3620 3733  05.14,-738.16 73\n-0001efd0: 342c 2d37 3037 2e35 3720 3736 332e 3537  4,-707.57 763.57\n-0001efe0: 2c2d 3637 362e 3234 2037 3932 2e31 342c  ,-676.24 792.14,\n-0001eff0: 2d37 3030 2e35 3720 3832 342c 2d36 3731  -700.57 824,-671\n-0001f000: 2e35 3720 3932 362e 3836 2c2d 3537 372e  .57 926.86,-577.\n-0001f010: 3936 2038 3738 2e36 372c 2d35 3030 2e36  96 878.67,-500.6\n-0001f020: 3520 3936 372c 2d33 3933 2e32 3220 3130  5 967,-393.22 10\n-0001f030: 3331 2e34 332c 2d33 3134 2e38 3620 3131  31.43,-314.86 11\n-0001f040: 3339 2e38 312c 2d32 3536 2e37 3820 3131  39.81,-256.78 11\n-0001f050: 3931 2e32 352c 2d32 3332 2e31 3122 2f3e  91.25,-232.11\"/>\n-0001f060: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-0001f070: 7265 6422 2073 7472 6f6b 653d 2272 6564  red\" stroke=\"red\n-0001f080: 2220 706f 696e 7473 3d22 3131 3932 2e39  \" points=\"1192.9\n-0001f090: 312c 2d32 3335 2e31 3920 3132 3030 2e34  1,-235.19 1200.4\n-0001f0a0: 362c 2d32 3237 2e37 3620 3131 3839 2e39  6,-227.76 1189.9\n-0001f0b0: 322c 2d32 3238 2e38 3620 3131 3932 2e39  2,-228.86 1192.9\n-0001f0c0: 312c 2d32 3335 2e31 3922 2f3e 0a3c 2f67  1,-235.19\"/>.</g\n-0001f0d0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-0001f0e0: 635f 6772 6f6d 6163 735f 6d6f 6475 6c61  c_gromacs_modula\n-0001f0f0: 7273 696d 756c 6174 6f72 2623 3435 3b26  rsimulator&#45;&\n-0001f100: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-0001f110: 6f6d 6163 735f 636f 6d70 6174 202d 2d3e  omacs_compat -->\n-0001f120: 0a3c 6720 6964 3d22 6564 6765 3230 3422  .<g id=\"edge204\"\n-0001f130: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-0001f140: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-0001f150: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172  _gromacs_modular\n-0001f160: 7369 6d75 6c61 746f 7226 2334 353b 2667  simulator&#45;&g\n-0001f170: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0001f180: 6d61 6373 5f63 6f6d 7061 743c 2f74 6974  macs_compat</tit\n-0001f190: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-0001f1a0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n-0001f1b0: 3832 6663 6322 2073 7472 6f6b 652d 6461  82fcc\" stroke-da\n-0001f1c0: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n-0001f1d0: 224d 3637 372e 3333 2c2d 3833 332e 3135  \"M677.33,-833.15\n-0001f1e0: 4336 3832 2e31 372c 2d38 3038 2e33 3620  C682.17,-808.36 \n-0001f1f0: 3639 342e 3532 2c2d 3735 312e 3833 2037  694.52,-751.83 7\n-0001f200: 3134 2c2d 3730 372e 3537 2037 3736 2e33  14,-707.57 776.3\n-0001f210: 352c 2d35 3635 2e39 3120 3839 312c 2d35  5,-565.91 891,-5\n-0001f220: 3632 2e34 3320 3839 312c 2d34 3037 2e36  62.43 891,-407.6\n-0001f230: 3620 3839 312c 2d34 3037 2e36 3620 3839  6 891,-407.66 89\n-0001f240: 312c 2d34 3037 2e36 3620 3839 312c 2d32  1,-407.66 891,-2\n-0001f250: 3739 2e39 3220 3839 312c 2d32 3334 2e39  79.92 891,-234.9\n-0001f260: 3220 3835 312e 3436 2c2d 3139 352e 3438  2 851.46,-195.48\n-0001f270: 2038 3234 2e35 312c 2d31 3733 2e38 3222   824.51,-173.82\"\n-0001f280: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-0001f290: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-0001f2a0: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n-0001f2b0: 7473 3d22 3832 362e 3332 2c2d 3137 302e  ts=\"826.32,-170.\n-0001f2c0: 3739 2038 3136 2e32 372c 2d31 3637 2e34  79 816.27,-167.4\n-0001f2d0: 3320 3832 322e 3033 2c2d 3137 362e 3332  3 822.03,-176.32\n-0001f2e0: 2038 3236 2e33 322c 2d31 3730 2e37 3922   826.32,-170.79\"\n-0001f2f0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-0001f300: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0001f310: 6d6f 6475 6c61 7273 696d 756c 6174 6f72  modularsimulator\n-0001f320: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-0001f330: 7372 635f 6772 6f6d 6163 735f 6770 755f  src_gromacs_gpu_\n-0001f340: 7574 696c 7320 2d2d 3e0a 3c67 2069 643d  utils -->.<g id=\n-0001f350: 2265 6467 6532 3135 2220 636c 6173 733d  \"edge215\" class=\n-0001f360: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-0001f370: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0001f380: 735f 6d6f 6475 6c61 7273 696d 756c 6174  s_modularsimulat\n-0001f390: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c  or&#45;&gt;modul\n-0001f3a0: 655f 7372 635f 6772 6f6d 6163 735f 6770  e_src_gromacs_gp\n-0001f3b0: 755f 7574 696c 733c 2f74 6974 6c65 3e0a  u_utils</title>.\n-0001f3c0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-0001f3d0: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n-0001f3e0: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-0001f3f0: 793d 2235 2c32 2220 643d 224d 3636 312e  y=\"5,2\" d=\"M661.\n-0001f400: 3937 2c2d 3833 332e 3234 4336 3533 2e30  97,-833.24C653.0\n-0001f410: 332c 2d38 3234 2e30 3320 3634 312e 3437  3,-824.03 641.47\n-0001f420: 2c2d 3831 302e 3831 2036 3334 2c2d 3739  ,-810.81 634,-79\n-0001f430: 372e 3331 2036 3139 2e38 312c 2d37 3731  7.31 619.81,-771\n-0001f440: 2e36 3520 3631 382e 352c 2d37 3633 2e34  .65 618.5,-763.4\n-0001f450: 3220 3631 342c 2d37 3334 2e34 3420 3631  2 614,-734.44 61\n-0001f460: 322e 3137 2c2d 3732 322e 3634 2036 3133  2.17,-722.64 613\n-0001f470: 2e34 372c 2d37 3139 2e35 2036 3134 2c2d  .47,-719.5 614,-\n-0001f480: 3730 372e 3537 2036 3138 2e34 352c 2d36  707.57 618.45,-6\n-0001f490: 3037 2e34 3520 3632 392e 3535 2c2d 3538  07.45 629.55,-58\n-0001f4a0: 332e 3038 2036 3334 2c2d 3438 322e 3936  3.08 634,-482.96\n-0001f4b0: 2036 3334 2e37 382c 2d34 3635 2e33 3620   634.78,-465.36 \n-0001f4c0: 3633 342e 3139 2c2d 3434 352e 3434 2036  634.19,-445.44 6\n-0001f4d0: 3333 2e34 352c 2d34 3330 2e35 3122 2f3e  33.45,-430.51\"/>\n-0001f4e0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-0001f4f0: 626c 6163 6b22 2073 7472 6f6b 653d 2262  black\" stroke=\"b\n-0001f500: 6c61 636b 2220 706f 696e 7473 3d22 3633  lack\" points=\"63\n-0001f510: 362e 3932 2c2d 3432 392e 3938 2036 3332  6.92,-429.98 632\n-0001f520: 2e38 382c 2d34 3230 2e31 3920 3632 392e  .88,-420.19 629.\n-0001f530: 3934 2c2d 3433 302e 3336 2036 3336 2e39  94,-430.36 636.9\n-0001f540: 322c 2d34 3239 2e39 3822 2f3e 0a3c 2f67  2,-429.98\"/>.</g\n-0001f550: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-0001f560: 635f 6772 6f6d 6163 735f 6d6f 6475 6c61  c_gromacs_modula\n-0001f570: 7273 696d 756c 6174 6f72 2623 3435 3b26  rsimulator&#45;&\n-0001f580: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-0001f590: 6f6d 6163 735f 7075 6c6c 696e 6720 2d2d  omacs_pulling --\n-0001f5a0: 3e0a 3c67 2069 643d 2265 6467 6532 3131  >.<g id=\"edge211\n-0001f5b0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-0001f5c0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-0001f5d0: 635f 6772 6f6d 6163 735f 6d6f 6475 6c61  c_gromacs_modula\n-0001f5e0: 7273 696d 756c 6174 6f72 2623 3435 3b26  rsimulator&#45;&\n-0001f5f0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-0001f600: 6f6d 6163 735f 7075 6c6c 696e 673c 2f74  omacs_pulling</t\n-0001f610: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-0001f620: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-0001f630: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n-0001f640: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n-0001f650: 643d 224d 3732 352e 3736 2c2d 3833 382e  d=\"M725.76,-838.\n-0001f660: 3238 4338 3039 2e35 392c 2d38 3235 2e39  28C809.59,-825.9\n-0001f670: 3620 3937 352e 3135 2c2d 3830 312e 3632  6 975.15,-801.62\n-0001f680: 2031 3035 302e 3238 2c2d 3739 302e 3537   1050.28,-790.57\n-0001f690: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-0001f6a0: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n-0001f6b0: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n-0001f6c0: 6e74 733d 2231 3035 302e 3838 2c2d 3739  nts=\"1050.88,-79\n-0001f6d0: 342e 3032 2031 3036 302e 3237 2c2d 3738  4.02 1060.27,-78\n-0001f6e0: 392e 3120 3130 3439 2e38 372c 2d37 3837  9.1 1049.87,-787\n-0001f6f0: 2e30 3920 3130 3530 2e38 382c 2d37 3934  .09 1050.88,-794\n-0001f700: 2e30 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .02\"/>.</g>.<!--\n-0001f710: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-0001f720: 6163 735f 6d6f 6475 6c61 7273 696d 756c  acs_modularsimul\n-0001f730: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64  ator&#45;&gt;mod\n-0001f740: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0001f750: 676d 786c 6962 202d 2d3e 0a3c 6720 6964  gmxlib -->.<g id\n-0001f760: 3d22 6564 6765 3231 3022 2063 6c61 7373  =\"edge210\" class\n-0001f770: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-0001f780: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001f790: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61  cs_modularsimula\n-0001f7a0: 746f 7226 2334 353b 2667 743b 6d6f 6475  tor&#45;&gt;modu\n-0001f7b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-0001f7c0: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70  mxlib</title>.<p\n-0001f7d0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-0001f7e0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-0001f7f0: 2064 3d22 4d37 3336 2e39 392c 2d38 3432   d=\"M736.99,-842\n-0001f800: 2e34 3343 3834 332e 3739 2c2d 3833 362e  .43C843.79,-836.\n-0001f810: 3137 2031 3035 372e 3836 2c2d 3832 312e  17 1057.86,-821.\n-0001f820: 3037 2031 3132 392c 2d37 3937 2e33 3120  07 1129,-797.31 \n-0001f830: 3131 3531 2e30 392c 2d37 3839 2e39 3320  1151.09,-789.93 \n-0001f840: 3131 3533 2e32 332c 2d37 3830 2e39 3920  1153.23,-780.99 \n-0001f850: 3131 3734 2c2d 3737 302e 3434 2031 3230  1174,-770.44 120\n-0001f860: 312e 3031 2c2d 3735 362e 3732 2031 3233  1.01,-756.72 123\n-0001f870: 322e 3831 2c2d 3734 332e 3433 2031 3235  2.81,-743.43 125\n-0001f880: 352e 3936 2c2d 3733 342e 3236 222f 3e0a  5.96,-734.26\"/>.\n-0001f890: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-0001f8a0: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n-0001f8b0: 2362 6662 6662 6622 2070 6f69 6e74 733d  #bfbfbf\" points=\n-0001f8c0: 2231 3235 372e 3238 2c2d 3733 372e 3520  \"1257.28,-737.5 \n-0001f8d0: 3132 3635 2e33 312c 2d37 3330 2e35 3920  1265.31,-730.59 \n-0001f8e0: 3132 3534 2e37 322c 2d37 3330 2e39 3820  1254.72,-730.98 \n-0001f8f0: 3132 3537 2e32 382c 2d37 3337 2e35 222f  1257.28,-737.5\"/\n-0001f900: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-0001f910: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-0001f920: 6f64 756c 6172 7369 6d75 6c61 746f 7226  odularsimulator&\n-0001f930: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0001f940: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n-0001f950: 6573 202d 2d3e 0a3c 6720 6964 3d22 6564  es -->.<g id=\"ed\n-0001f960: 6765 3230 3522 2063 6c61 7373 3d22 6564  ge205\" class=\"ed\n-0001f970: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-0001f980: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-0001f990: 6f64 756c 6172 7369 6d75 6c61 746f 7226  odularsimulator&\n-0001f9a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0001f9b0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n-0001f9c0: 6573 3c2f 7469 746c 653e 0a3c 7061 7468  es</title>.<path\n-0001f9d0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-0001f9e0: 6f6b 653d 2272 6564 2220 643d 224d 3639  oke=\"red\" d=\"M69\n-0001f9f0: 362e 3835 2c2d 3833 332e 3932 4337 3131  6.85,-833.92C711\n-0001fa00: 2e34 382c 2d38 3235 2e32 3220 3733 302e  .48,-825.22 730.\n-0001fa10: 3438 2c2d 3831 322e 3331 2037 3434 2c2d  48,-812.31 744,-\n-0001fa20: 3739 372e 3331 2037 3734 2e35 372c 2d37  797.31 774.57,-7\n-0001fa30: 3633 2e34 2037 3538 2e32 382c 2d37 3336  63.4 758.28,-736\n-0001fa40: 2e30 3120 3739 342c 2d37 3037 2e35 3720  .01 794,-707.57 \n-0001fa50: 3830 342e 3039 2c2d 3639 392e 3533 2038  804.09,-699.53 8\n-0001fa60: 3735 2e31 382c 2d36 3830 2e36 3320 3932  75.18,-680.63 92\n-0001fa70: 312e 332c 2d36 3638 2e39 3622 2f3e 0a3c  1.3,-668.96\"/>.<\n-0001fa80: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265  polygon fill=\"re\n-0001fa90: 6422 2073 7472 6f6b 653d 2272 6564 2220  d\" stroke=\"red\" \n-0001faa0: 706f 696e 7473 3d22 3932 322e 3137 2c2d  points=\"922.17,-\n-0001fab0: 3637 322e 3335 2039 3331 2e30 312c 2d36  672.35 931.01,-6\n-0001fac0: 3636 2e35 3120 3932 302e 3436 2c2d 3636  66.51 920.46,-66\n-0001fad0: 352e 3536 2039 3232 2e31 372c 2d36 3732  5.56 922.17,-672\n-0001fae0: 2e33 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .35\"/>.</g>.<!--\n-0001faf0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-0001fb00: 6163 735f 6d6f 6475 6c61 7273 696d 756c  acs_modularsimul\n-0001fb10: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64  ator&#45;&gt;mod\n-0001fb20: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0001fb30: 636f 6d6d 616e 646c 696e 6520 2d2d 3e0a  commandline -->.\n-0001fb40: 3c67 2069 643d 2265 6467 6532 3137 2220  <g id=\"edge217\" \n-0001fb50: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-0001fb60: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-0001fb70: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273  gromacs_modulars\n-0001fb80: 696d 756c 6174 6f72 2623 3435 3b26 6774  imulator&#45;&gt\n-0001fb90: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0001fba0: 6163 735f 636f 6d6d 616e 646c 696e 653c  acs_commandline<\n-0001fbb0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-0001fbc0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-0001fbd0: 3d22 626c 6163 6b22 2073 7472 6f6b 652d  =\"black\" stroke-\n-0001fbe0: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n-0001fbf0: 643d 224d 3638 352e 3831 2c2d 3833 332e  d=\"M685.81,-833.\n-0001fc00: 3431 4336 3933 2e39 362c 2d38 3233 2e38  41C693.96,-823.8\n-0001fc10: 3520 3730 352e 322c 2d38 3130 2e31 3320  5 705.2,-810.13 \n-0001fc20: 3731 342c 2d37 3937 2e33 3120 3734 302e  714,-797.31 740.\n-0001fc30: 3039 2c2d 3735 392e 3331 2037 3332 2e30  09,-759.31 732.0\n-0001fc40: 382c 2d37 3338 2e37 3920 3736 362c 2d37  8,-738.79 766,-7\n-0001fc50: 3037 2e35 3720 3739 332e 352c 2d36 3832  07.57 793.5,-682\n-0001fc60: 2e32 3620 3831 332e 3434 2c2d 3639 352e  .26 813.44,-695.\n-0001fc70: 3638 2038 3432 2c2d 3637 312e 3537 2038  68 842,-671.57 8\n-0001fc80: 3834 2e37 332c 2d36 3335 2e34 3920 3130  84.73,-635.49 10\n-0001fc90: 3131 2c2d 3337 372e 3935 2031 3031 312c  11,-377.95 1011,\n-0001fca0: 2d33 3434 2e37 3920 3130 3131 2c2d 3334  -344.79 1011,-34\n-0001fcb0: 342e 3739 2031 3031 312c 2d33 3434 2e37  4.79 1011,-344.7\n-0001fcc0: 3920 3130 3131 2c2d 3231 372e 3035 2031  9 1011,-217.05 1\n-0001fcd0: 3031 312c 2d31 3733 2e34 3120 3130 3335  011,-173.41 1035\n-0001fce0: 2e30 322c 2d31 3631 2e33 3620 3130 3734  .02,-161.36 1074\n-0001fcf0: 2c2d 3134 312e 3734 2031 3130 382e 3231  ,-141.74 1108.21\n-0001fd00: 2c2d 3132 342e 3533 2031 3635 362e 3138  ,-124.53 1656.18\n-0001fd10: 2c2d 3130 322e 3536 2031 3834 322e 3533  ,-102.56 1842.53\n-0001fd20: 2c2d 3935 2e35 3622 2f3e 0a3c 706f 6c79  ,-95.56\"/>.<poly\n-0001fd30: 676f 6e20 6669 6c6c 3d22 626c 6163 6b22  gon fill=\"black\"\n-0001fd40: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n-0001fd50: 706f 696e 7473 3d22 3138 3432 2e38 342c  points=\"1842.84,\n-0001fd60: 2d39 392e 3035 2031 3835 322e 372c 2d39  -99.05 1852.7,-9\n-0001fd70: 352e 3138 2031 3834 322e 3538 2c2d 3932  5.18 1842.58,-92\n-0001fd80: 2e30 3520 3138 3432 2e38 342c 2d39 392e  .05 1842.84,-99.\n-0001fd90: 3035 222f 3e0a 3c2f 673e 0a3c 212d 2d20  05\"/>.</g>.<!-- \n-0001fda0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001fdb0: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61  cs_modularsimula\n-0001fdc0: 746f 7226 2334 353b 2667 743b 6d6f 6475  tor&#45;&gt;modu\n-0001fdd0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-0001fde0: 6472 756e 7574 696c 6974 7920 2d2d 3e0a  drunutility -->.\n-0001fdf0: 3c67 2069 643d 2265 6467 6532 3136 2220  <g id=\"edge216\" \n-0001fe00: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-0001fe10: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-0001fe20: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273  gromacs_modulars\n-0001fe30: 696d 756c 6174 6f72 2623 3435 3b26 6774  imulator&#45;&gt\n-0001fe40: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0001fe50: 6163 735f 6d64 7275 6e75 7469 6c69 7479  acs_mdrunutility\n-0001fe60: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-0001fe70: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-0001fe80: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n-0001fe90: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-0001fea0: 3222 2064 3d22 4d37 3238 2e30 312c 2d38  2\" d=\"M728.01,-8\n-0001feb0: 3338 2e38 3643 3737 352e 3139 2c2d 3833  38.86C775.19,-83\n-0001fec0: 312e 3732 2038 3435 2e35 372c 2d38 3138  1.72 845.57,-818\n-0001fed0: 2e35 3720 3930 342c 2d37 3937 2e33 3120  .57 904,-797.31 \n-0001fee0: 3130 3831 2e38 352c 2d37 3332 2e35 3920  1081.85,-732.59 \n-0001fef0: 3132 3639 2e39 352c 2d35 3939 2e36 3920  1269.95,-599.69 \n-0001ff00: 3133 3335 2e31 332c 2d35 3531 2e34 3222  1335.13,-551.42\"\n-0001ff10: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-0001ff20: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-0001ff30: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n-0001ff40: 7473 3d22 3133 3337 2e35 372c 2d35 3533  ts=\"1337.57,-553\n-0001ff50: 2e39 3720 3133 3433 2e35 2c2d 3534 352e  .97 1343.5,-545.\n-0001ff60: 3139 2031 3333 332e 3339 2c2d 3534 382e  19 1333.39,-548.\n-0001ff70: 3335 2031 3333 372e 3537 2c2d 3535 332e  35 1337.57,-553.\n-0001ff80: 3937 222f 3e0a 3c2f 673e 0a3c 212d 2d20  97\"/>.</g>.<!-- \n-0001ff90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001ffa0: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61  cs_modularsimula\n-0001ffb0: 746f 7226 2334 353b 2667 743b 6d6f 6475  tor&#45;&gt;modu\n-0001ffc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c  le_src_gromacs_l\n-0001ffd0: 6973 7465 645f 666f 7263 6573 202d 2d3e  isted_forces -->\n-0001ffe0: 0a3c 6720 6964 3d22 6564 6765 3231 3222  .<g id=\"edge212\"\n-0001fff0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-00020000: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00020010: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172  _gromacs_modular\n-00020020: 7369 6d75 6c61 746f 7226 2334 353b 2667  simulator&#45;&g\n-00020030: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00020040: 6d61 6373 5f6c 6973 7465 645f 666f 7263  macs_listed_forc\n-00020050: 6573 3c2f 7469 746c 653e 0a3c 7061 7468  es</title>.<path\n-00020060: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-00020070: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n-00020080: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n-00020090: 352c 3222 2064 3d22 4d36 3731 2e37 372c  5,2\" d=\"M671.77,\n-000200a0: 2d38 3332 2e39 3543 3636 362e 3039 2c2d  -832.95C666.09,-\n-000200b0: 3830 372e 3831 2036 3536 2e34 392c 2d37  807.81 656.49,-7\n-000200c0: 3530 2e36 3920 3637 342c 2d37 3037 2e35  50.69 674,-707.5\n-000200d0: 3720 3638 322e 3339 2c2d 3638 362e 3839  7 682.39,-686.89\n-000200e0: 2036 3934 2e38 352c 2d36 3838 2e38 3220   694.85,-688.82 \n-000200f0: 3730 392c 2d36 3731 2e35 3720 3736 312e  709,-671.57 761.\n-00020100: 3231 2c2d 3630 372e 3932 2037 3634 2e32  21,-607.92 764.2\n-00020110: 362c 2d35 3834 2e35 3720 3831 342c 2d35  6,-584.57 814,-5\n-00020120: 3138 2e39 3620 3832 362e 3538 2c2d 3530  18.96 826.58,-50\n-00020130: 322e 3336 2038 3336 2e39 312c 2d35 3032  2.36 836.91,-502\n-00020140: 2e35 3420 3834 342c 2d34 3832 2e39 3620  .54 844,-482.96 \n-00020150: 3836 362e 3839 2c2d 3431 392e 3734 2038  866.89,-419.74 8\n-00020160: 3332 2e33 352c 2d33 3430 2e38 3320 3831  32.35,-340.83 81\n-00020170: 322e 3435 2c2d 3330 332e 3436 222f 3e0a  2.45,-303.46\"/>.\n-00020180: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-00020190: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n-000201a0: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n-000201b0: 2238 3135 2e33 392c 2d33 3031 2e35 3520  \"815.39,-301.55 \n-000201c0: 3830 372e 3531 2c2d 3239 342e 3437 2038  807.51,-294.47 8\n-000201d0: 3039 2e32 362c 2d33 3034 2e39 3220 3831  09.26,-304.92 81\n-000201e0: 352e 3339 2c2d 3330 312e 3535 222f 3e0a  5.39,-301.55\"/>.\n-000201f0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00020200: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64  _src_gromacs_mod\n-00020210: 756c 6172 7369 6d75 6c61 746f 7226 2334  ularsimulator&#4\n-00020220: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00020230: 5f67 726f 6d61 6373 5f72 616e 646f 6d20  _gromacs_random \n-00020240: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n-00020250: 3139 2220 636c 6173 733d 2265 6467 6522  19\" class=\"edge\"\n-00020260: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00020270: 7372 635f 6772 6f6d 6163 735f 6d6f 6475  src_gromacs_modu\n-00020280: 6c61 7273 696d 756c 6174 6f72 2623 3435  larsimulator&#45\n-00020290: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-000202a0: 6772 6f6d 6163 735f 7261 6e64 6f6d 3c2f  gromacs_random</\n-000202b0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-000202c0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-000202d0: 2262 6c61 636b 2220 7374 726f 6b65 2d64  \"black\" stroke-d\n-000202e0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-000202f0: 3d22 4d37 3035 2e38 342c 2d38 3334 2e37  =\"M705.84,-834.7\n-00020300: 3243 3735 362e 3432 2c2d 3831 362e 3235  2C756.42,-816.25\n-00020310: 2038 3539 2e37 332c 2d37 3736 2e38 3720   859.73,-776.87 \n-00020320: 3934 332c 2d37 3334 2e34 3420 3130 3032  943,-734.44 1002\n-00020330: 2e36 352c 2d37 3034 2e30 3520 3134 3031  .65,-704.05 1401\n-00020340: 2c2d 3435 362e 3737 2031 3435 372c 2d34  ,-456.77 1457,-4\n-00020350: 3230 2e30 3920 3135 3933 2e33 372c 2d33  20.09 1593.37,-3\n-00020360: 3330 2e37 3820 3137 3531 2e38 332c 2d32  30.78 1751.83,-2\n-00020370: 3136 2e32 2031 3831 302e 3535 2c2d 3137  16.2 1810.55,-17\n-00020380: 332e 3335 222f 3e0a 3c70 6f6c 7967 6f6e  3.35\"/>.<polygon\n-00020390: 2066 696c 6c3d 2262 6c61 636b 2220 7374   fill=\"black\" st\n-000203a0: 726f 6b65 3d22 626c 6163 6b22 2070 6f69  roke=\"black\" poi\n-000203b0: 6e74 733d 2231 3831 322e 3738 2c2d 3137  nts=\"1812.78,-17\n-000203c0: 362e 3036 2031 3831 382e 3739 2c2d 3136  6.06 1818.79,-16\n-000203d0: 372e 3333 2031 3830 382e 3635 2c2d 3137  7.33 1808.65,-17\n-000203e0: 302e 3420 3138 3132 2e37 382c 2d31 3736  0.4 1812.78,-176\n-000203f0: 2e30 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .06\"/>.</g>.<!--\n-00020400: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-00020410: 6163 735f 6d6f 6475 6c61 7273 696d 756c  acs_modularsimul\n-00020420: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64  ator&#45;&gt;mod\n-00020430: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00020440: 6577 616c 6420 2d2d 3e0a 3c67 2069 643d  ewald -->.<g id=\n-00020450: 2265 6467 6532 3036 2220 636c 6173 733d  \"edge206\" class=\n-00020460: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00020470: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00020480: 735f 6d6f 6475 6c61 7273 696d 756c 6174  s_modularsimulat\n-00020490: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c  or&#45;&gt;modul\n-000204a0: 655f 7372 635f 6772 6f6d 6163 735f 6577  e_src_gromacs_ew\n-000204b0: 616c 643c 2f74 6974 6c65 3e0a 3c70 6174  ald</title>.<pat\n-000204c0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-000204d0: 726f 6b65 3d22 7265 6422 2064 3d22 4d36  roke=\"red\" d=\"M6\n-000204e0: 3634 2e35 2c2d 3833 332e 3131 4336 3537  64.5,-833.11C657\n-000204f0: 2e35 2c2d 3832 332e 3834 2036 3438 2e39  .5,-823.84 648.9\n-00020500: 2c2d 3831 302e 3620 3634 352c 2d37 3937  ,-810.6 645,-797\n-00020510: 2e33 3120 3633 332e 3738 2c2d 3735 392e  .31 633.78,-759.\n-00020520: 3034 2036 3332 2e34 322c 2d37 3435 2e37  04 632.42,-745.7\n-00020530: 3420 3634 342c 2d37 3037 2e35 3720 3637  4 644,-707.57 67\n-00020540: 332e 3236 2c2d 3631 312e 3120 3730 392c  3.26,-611.1 709,\n-00020550: 2d35 3939 2e32 3220 3737 302c 2d35 3138  -599.22 770,-518\n-00020560: 2e39 3620 3738 322e 3738 2c2d 3530 322e  .96 782.78,-502.\n-00020570: 3135 2037 3933 2e36 352c 2d35 3032 2e37  15 793.65,-502.7\n-00020580: 3620 3830 312c 2d34 3832 2e39 3620 3830  6 801,-482.96 80\n-00020590: 352e 3136 2c2d 3437 312e 3736 2038 3034  5.16,-471.76 804\n-000205a0: 2e37 322c 2d34 3637 2e34 3420 3830 312c  .72,-467.44 801,\n-000205b0: 2d34 3536 2e30 3920 3739 312e 3335 2c2d  -456.09 791.35,-\n-000205c0: 3432 362e 3636 2036 3534 2e33 2c2d 3235  426.66 654.3,-25\n-000205d0: 362e 3436 2036 3336 2c2d 3233 312e 3438  6.46 636,-231.48\n-000205e0: 2036 3232 2e33 322c 2d32 3132 2e38 3120   622.32,-212.81 \n-000205f0: 3630 362e 3737 2c2d 3139 312e 3531 2035  606.77,-191.51 5\n-00020600: 3935 2e37 2c2d 3137 362e 3334 222f 3e0a  95.7,-176.34\"/>.\n-00020610: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272  <polygon fill=\"r\n-00020620: 6564 2220 7374 726f 6b65 3d22 7265 6422  ed\" stroke=\"red\"\n-00020630: 2070 6f69 6e74 733d 2235 3938 2e34 372c   points=\"598.47,\n-00020640: 2d31 3734 2e32 2035 3839 2e37 352c 2d31  -174.2 589.75,-1\n-00020650: 3638 2e31 3820 3539 322e 3832 2c2d 3137  68.18 592.82,-17\n-00020660: 382e 3332 2035 3938 2e34 372c 2d31 3734  8.32 598.47,-174\n-00020670: 2e32 222f 3e0a 3c2f 673e 0a3c 212d 2d20  .2\"/>.</g>.<!-- \n-00020680: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00020690: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61  cs_modularsimula\n-000206a0: 746f 7226 2334 353b 2667 743b 6d6f 6475  tor&#45;&gt;modu\n-000206b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66  le_src_gromacs_f\n-000206c0: 696c 6569 6f20 2d2d 3e0a 3c67 2069 643d  ileio -->.<g id=\n-000206d0: 2265 6467 6532 3138 2220 636c 6173 733d  \"edge218\" class=\n-000206e0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-000206f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00020700: 735f 6d6f 6475 6c61 7273 696d 756c 6174  s_modularsimulat\n-00020710: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c  or&#45;&gt;modul\n-00020720: 655f 7372 635f 6772 6f6d 6163 735f 6669  e_src_gromacs_fi\n-00020730: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061  leio</title>.<pa\n-00020740: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-00020750: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-00020760: 643d 224d 3733 352e 3539 2c2d 3835 312e  d=\"M735.59,-851.\n-00020770: 3639 4339 3035 2e32 392c 2d38 3633 2e31  69C905.29,-863.1\n-00020780: 3220 3133 3831 2e34 332c 2d38 3936 2e30  2 1381.43,-896.0\n-00020790: 3720 3135 3138 2e30 312c 2d39 3035 2e38  7 1518.01,-905.8\n-000207a0: 3522 2f3e 0a3c 706f 6c79 676f 6e20 6669  5\"/>.<polygon fi\n-000207b0: 6c6c 3d22 2362 6662 6662 6622 2073 7472  ll=\"#bfbfbf\" str\n-000207c0: 6f6b 653d 2223 6266 6266 6266 2220 706f  oke=\"#bfbfbf\" po\n-000207d0: 696e 7473 3d22 3135 3138 2e31 332c 2d39  ints=\"1518.13,-9\n-000207e0: 3039 2e33 3620 3135 3238 2e33 352c 2d39  09.36 1528.35,-9\n-000207f0: 3036 2e35 3920 3135 3138 2e36 332c 2d39  06.59 1518.63,-9\n-00020800: 3032 2e33 3820 3135 3138 2e31 332c 2d39  02.38 1518.13,-9\n-00020810: 3039 2e33 3622 2f3e 0a3c 2f67 3e0a 3c21  09.36\"/>.</g>.<!\n-00020820: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00020830: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69  omacs_mdrunutili\n-00020840: 7479 2623 3435 3b26 6774 3b6d 6f64 756c  ty&#45;&gt;modul\n-00020850: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00020860: 7275 6e20 2d2d 3e0a 3c67 2069 643d 2265  run -->.<g id=\"e\n-00020870: 6467 6532 3233 2220 636c 6173 733d 2265  dge223\" class=\"e\n-00020880: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-00020890: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-000208a0: 6d64 7275 6e75 7469 6c69 7479 2623 3435  mdrunutility&#45\n-000208b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-000208c0: 6772 6f6d 6163 735f 6d64 7275 6e3c 2f74  gromacs_mdrun</t\n-000208d0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-000208e0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-000208f0: 7265 6422 2064 3d22 4d31 3336 382e 3336  red\" d=\"M1368.36\n-00020900: 2c2d 3534 352e 3931 4331 3338 352c 2d35  ,-545.91C1385,-5\n-00020910: 3737 2e39 3420 3134 3133 2e31 362c 2d36  77.94 1413.16,-6\n-00020920: 3635 2e32 3120 3133 3933 2c2d 3733 342e  65.21 1393,-734.\n-00020930: 3434 2031 3337 342e 3438 2c2d 3739 382e  44 1374.48,-798.\n-00020940: 3034 2031 3335 382e 3437 2c2d 3831 322e  04 1358.47,-812.\n-00020950: 3032 2031 3331 332c 2d38 3630 2e31 3820  02 1313,-860.18 \n-00020960: 3132 3934 2e32 2c2d 3838 302e 3039 2031  1294.2,-880.09 1\n-00020970: 3238 342e 3334 2c2d 3837 392e 3032 2031  284.34,-879.02 1\n-00020980: 3236 332c 2d38 3936 2e31 3820 3132 3439  263,-896.18 1249\n-00020990: 2e30 352c 2d39 3037 2e34 2031 3234 392e  .05,-907.4 1249.\n-000209a0: 3132 2c2d 3931 352e 3236 2031 3233 332c  12,-915.26 1233,\n-000209b0: 2d39 3233 2e30 3520 3131 3437 2e37 342c  -923.05 1147.74,\n-000209c0: 2d39 3634 2e32 3520 3130 3935 2e31 382c  -964.25 1095.18,\n-000209d0: 2d38 3937 2e37 3620 3130 3233 2c2d 3935  -897.76 1023,-95\n-000209e0: 392e 3035 2039 3930 2e38 332c 2d39 3836  9.05 990.83,-986\n-000209f0: 2e33 3620 3130 3231 2e36 322c 2d31 3031  .36 1021.62,-101\n-00020a00: 382e 3734 2039 3932 2c2d 3130 3438 2e37  8.74 992,-1048.7\n-00020a10: 3920 3936 342e 3937 2c2d 3130 3736 2e32  9 964.97,-1076.2\n-00020a20: 3120 3932 312e 3237 2c2d 3130 3838 2e31  1 921.27,-1088.1\n-00020a30: 3920 3838 392e 3134 2c2d 3130 3933 2e33  9 889.14,-1093.3\n-00020a40: 3722 2f3e 0a3c 706f 6c79 676f 6e20 6669  7\"/>.<polygon fi\n-00020a50: 6c6c 3d22 7265 6422 2073 7472 6f6b 653d  ll=\"red\" stroke=\n-00020a60: 2272 6564 2220 706f 696e 7473 3d22 3838  \"red\" points=\"88\n-00020a70: 382e 3534 2c2d 3130 3839 2e39 3220 3837  8.54,-1089.92 87\n-00020a80: 392e 3135 2c2d 3130 3934 2e38 3320 3838  9.15,-1094.83 88\n-00020a90: 392e 3535 2c2d 3130 3936 2e38 3520 3838  9.55,-1096.85 88\n-00020aa0: 382e 3534 2c2d 3130 3839 2e39 3222 2f3e  8.54,-1089.92\"/>\n-00020ab0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00020ac0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00020ad0: 7275 6e75 7469 6c69 7479 2623 3435 3b26  runutility&#45;&\n-00020ae0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00020af0: 6f6d 6163 735f 6861 7264 7761 7265 202d  omacs_hardware -\n-00020b00: 2d3e 0a3c 6720 6964 3d22 6564 6765 3232  ->.<g id=\"edge22\n-00020b10: 3522 2063 6c61 7373 3d22 6564 6765 223e  5\" class=\"edge\">\n-00020b20: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00020b30: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n-00020b40: 7574 696c 6974 7926 2334 353b 2667 743b  utility&#45;&gt;\n-00020b50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00020b60: 6373 5f68 6172 6477 6172 653c 2f74 6974  cs_hardware</tit\n-00020b70: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-00020b80: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n-00020b90: 6662 6662 6622 2064 3d22 4d31 3331 312e  fbfbf\" d=\"M1311.\n-00020ba0: 3435 2c2d 3533 312e 3838 4331 3138 312e  45,-531.88C1181.\n-00020bb0: 3437 2c2d 3533 322e 3533 2038 3039 2e35  47,-532.53 809.5\n-00020bc0: 362c 2d35 3239 2e38 2035 3035 2c2d 3438  6,-529.8 505,-48\n-00020bd0: 322e 3936 2035 3031 2e36 2c2d 3438 322e  2.96 501.6,-482.\n-00020be0: 3434 2034 3938 2e30 392c 2d34 3831 2e37  44 498.09,-481.7\n-00020bf0: 3820 3439 342e 3539 2c2d 3438 312e 3035  8 494.59,-481.05\n-00020c00: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-00020c10: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n-00020c20: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n-00020c30: 6e74 733d 2234 3935 2e33 362c 2d34 3737  nts=\"495.36,-477\n-00020c40: 2e36 3420 3438 342e 3833 2c2d 3437 382e  .64 484.83,-478.\n-00020c50: 3832 2034 3933 2e38 2c2d 3438 342e 3436  82 493.8,-484.46\n-00020c60: 2034 3935 2e33 362c 2d34 3737 2e36 3422   495.36,-477.64\"\n-00020c70: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00020c80: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00020c90: 6d64 7275 6e75 7469 6c69 7479 2623 3435  mdrunutility&#45\n-00020ca0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00020cb0: 6772 6f6d 6163 735f 676d 786c 6962 202d  gromacs_gmxlib -\n-00020cc0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3232  ->.<g id=\"edge22\n-00020cd0: 3422 2063 6c61 7373 3d22 6564 6765 223e  4\" class=\"edge\">\n-00020ce0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00020cf0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n-00020d00: 7574 696c 6974 7926 2334 353b 2667 743b  utility&#45;&gt;\n-00020d10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00020d20: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65  cs_gmxlib</title\n-00020d30: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00020d40: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n-00020d50: 6662 6622 2064 3d22 4d31 3335 342e 3235  fbf\" d=\"M1354.25\n-00020d60: 2c2d 3534 352e 3837 4331 3334 322e 342c  ,-545.87C1342.4,\n-00020d70: 2d35 3737 2e30 3220 3133 3131 2e34 2c2d  -577.02 1311.4,-\n-00020d80: 3635 382e 3531 2031 3239 362e 3339 2c2d  658.51 1296.39,-\n-00020d90: 3639 372e 3937 222f 3e0a 3c70 6f6c 7967  697.97\"/>.<polyg\n-00020da0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n-00020db0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-00020dc0: 6622 2070 6f69 6e74 733d 2231 3239 332e  f\" points=\"1293.\n-00020dd0: 3035 2c2d 3639 362e 3838 2031 3239 322e  05,-696.88 1292.\n-00020de0: 3737 2c2d 3730 372e 3437 2031 3239 392e  77,-707.47 1299.\n-00020df0: 362c 2d36 3939 2e33 3720 3132 3933 2e30  6,-699.37 1293.0\n-00020e00: 352c 2d36 3936 2e38 3822 2f3e 0a3c 2f67  5,-696.88\"/>.</g\n-00020e10: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-00020e20: 635f 6772 6f6d 6163 735f 6d64 7275 6e75  c_gromacs_mdrunu\n-00020e30: 7469 6c69 7479 2623 3435 3b26 6774 3b6d  tility&#45;&gt;m\n-00020e40: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00020e50: 735f 6d64 7479 7065 7320 2d2d 3e0a 3c67  s_mdtypes -->.<g\n-00020e60: 2069 643d 2265 6467 6532 3232 2220 636c   id=\"edge222\" cl\n-00020e70: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00020e80: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00020e90: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69  omacs_mdrunutili\n-00020ea0: 7479 2623 3435 3b26 6774 3b6d 6f64 756c  ty&#45;&gt;modul\n-00020eb0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00020ec0: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70  types</title>.<p\n-00020ed0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00020ee0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-00020ef0: 2064 3d22 4d31 3332 382e 3736 2c2d 3534   d=\"M1328.76,-54\n-00020f00: 322e 3843 3132 3537 2c2d 3536 352e 3131  2.8C1257,-565.11\n-00020f10: 2031 3037 362e 362c 2d36 3231 2e31 3920   1076.6,-621.19 \n-00020f20: 3939 382e 3237 2c2d 3634 352e 3535 222f  998.27,-645.55\"/\n-00020f30: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00020f40: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n-00020f50: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n-00020f60: 733d 2239 3936 2e38 372c 2d36 3432 2e33  s=\"996.87,-642.3\n-00020f70: 3220 3938 382e 3336 2c2d 3634 382e 3633  2 988.36,-648.63\n-00020f80: 2039 3938 2e39 342c 2d36 3439 2039 3936   998.94,-649 996\n-00020f90: 2e38 372c 2d36 3432 2e33 3222 2f3e 0a3c  .87,-642.32\"/>.<\n-00020fa0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-00020fb0: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n-00020fc0: 6e75 7469 6c69 7479 2623 3435 3b26 6774  nutility&#45;&gt\n-00020fd0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00020fe0: 6163 735f 636f 6d6d 616e 646c 696e 6520  acs_commandline \n-00020ff0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n-00021000: 3230 2220 636c 6173 733d 2265 6467 6522  20\" class=\"edge\"\n-00021010: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00021020: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n-00021030: 6e75 7469 6c69 7479 2623 3435 3b26 6774  nutility&#45;&gt\n-00021040: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00021050: 6163 735f 636f 6d6d 616e 646c 696e 653c  acs_commandline<\n-00021060: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00021070: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-00021080: 3d22 626c 6163 6b22 2073 7472 6f6b 652d  =\"black\" stroke-\n-00021090: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n-000210a0: 643d 224d 3133 3739 2e30 392c 2d35 3230  d=\"M1379.09,-520\n-000210b0: 2e30 3943 3133 3934 2e35 332c 2d35 3130  .09C1394.53,-510\n-000210c0: 2e39 3820 3134 3136 2e30 312c 2d34 3937  .98 1416.01,-497\n-000210d0: 2e33 3520 3134 3333 2c2d 3438 322e 3936  .35 1433,-482.96\n-000210e0: 2031 3436 322e 3031 2c2d 3435 382e 3339   1462.01,-458.39\n-000210f0: 2031 3436 352e 3538 2c2d 3434 382e 3336   1465.58,-448.36\n-00021100: 2031 3439 312c 2d34 3230 2e30 3920 3136   1491,-420.09 16\n-00021110: 3031 2e30 312c 2d32 3937 2e37 3720 3135  01.01,-297.77 15\n-00021120: 3936 2e30 362c 2d32 3239 2e38 3420 3137  96.06,-229.84 17\n-00021130: 3335 2c2d 3134 312e 3734 2031 3736 392e  35,-141.74 1769.\n-00021140: 3439 2c2d 3131 392e 3837 2031 3831 342e  49,-119.87 1814.\n-00021150: 3039 2c2d 3130 372e 3633 2031 3834 382e  09,-107.63 1848.\n-00021160: 3831 2c2d 3130 302e 3933 222f 3e0a 3c70  81,-100.93\"/>.<p\n-00021170: 6f6c 7967 6f6e 2066 696c 6c3d 2262 6c61  olygon fill=\"bla\n-00021180: 636b 2220 7374 726f 6b65 3d22 626c 6163  ck\" stroke=\"blac\n-00021190: 6b22 2070 6f69 6e74 733d 2231 3834 392e  k\" points=\"1849.\n-000211a0: 3538 2c2d 3130 342e 3335 2031 3835 382e  58,-104.35 1858.\n-000211b0: 3738 2c2d 3939 2e31 2031 3834 382e 3332  78,-99.1 1848.32\n-000211c0: 2c2d 3937 2e34 3620 3138 3439 2e35 382c  ,-97.46 1849.58,\n-000211d0: 2d31 3034 2e33 3522 2f3e 0a3c 2f67 3e0a  -104.35\"/>.</g>.\n-000211e0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-000211f0: 6772 6f6d 6163 735f 6d64 7275 6e75 7469  gromacs_mdrunuti\n-00021200: 6c69 7479 2623 3435 3b26 6774 3b6d 6f64  lity&#45;&gt;mod\n-00021210: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00021220: 6669 6c65 696f 202d 2d3e 0a3c 6720 6964  fileio -->.<g id\n-00021230: 3d22 6564 6765 3232 3122 2063 6c61 7373  =\"edge221\" class\n-00021240: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-00021250: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00021260: 6373 5f6d 6472 756e 7574 696c 6974 7926  cs_mdrunutility&\n-00021270: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00021280: 7263 5f67 726f 6d61 6373 5f66 696c 6569  rc_gromacs_filei\n-00021290: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820  o</title>.<path \n-000212a0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-000212b0: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n-000212c0: 4d31 3339 322e 3033 2c2d 3534 322e 3237  M1392.03,-542.27\n-000212d0: 4331 3431 322e 3438 2c2d 3535 3020 3134  C1412.48,-550 14\n-000212e0: 3337 2e34 332c 2d35 3632 2e39 3720 3134  37.43,-562.97 14\n-000212f0: 3533 2c2d 3538 312e 3833 2031 3533 312e  53,-581.83 1531.\n-00021300: 3134 2c2d 3637 362e 3438 2031 3535 352e  14,-676.48 1555.\n-00021310: 332c 2d38 3238 2e38 3920 3135 3537 2e32  3,-828.89 1557.2\n-00021320: 322c 2d38 3836 2e30 3222 2f3e 0a3c 706f  2,-886.02\"/>.<po\n-00021330: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n-00021340: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n-00021350: 6266 6266 2220 706f 696e 7473 3d22 3135  bfbf\" points=\"15\n-00021360: 3533 2e37 332c 2d38 3836 2e31 3720 3135  53.73,-886.17 15\n-00021370: 3537 2e33 322c 2d38 3936 2e31 3320 3135  57.32,-896.13 15\n-00021380: 3630 2e37 322c 2d38 3836 2e31 2031 3535  60.72,-886.1 155\n-00021390: 332e 3733 2c2d 3838 362e 3137 222f 3e0a  3.73,-886.17\"/>.\n-000213a0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-000213b0: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973  _src_gromacs_lis\n-000213c0: 7465 645f 666f 7263 6573 2623 3435 3b26  ted_forces&#45;&\n-000213d0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-000213e0: 6f6d 6163 735f 7461 626c 6573 202d 2d3e  omacs_tables -->\n-000213f0: 0a3c 6720 6964 3d22 6564 6765 3233 3022  .<g id=\"edge230\"\n-00021400: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-00021410: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00021420: 5f67 726f 6d61 6373 5f6c 6973 7465 645f  _gromacs_listed_\n-00021430: 666f 7263 6573 2623 3435 3b26 6774 3b6d  forces&#45;&gt;m\n-00021440: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00021450: 735f 7461 626c 6573 3c2f 7469 746c 653e  s_tables</title>\n-00021460: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-00021470: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n-00021480: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n-00021490: 7272 6179 3d22 352c 3222 2064 3d22 4d38  rray=\"5,2\" d=\"M8\n-000214a0: 3236 2e36 392c 2d32 3639 2e33 3743 3838  26.69,-269.37C88\n-000214b0: 342e 3338 2c2d 3234 362e 3536 2031 3032  4.38,-246.56 102\n-000214c0: 302e 3438 2c2d 3139 322e 3735 2031 3038  0.48,-192.75 108\n-000214d0: 312e 3933 2c2d 3136 382e 3436 222f 3e0a  1.93,-168.46\"/>.\n-000214e0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-000214f0: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n-00021500: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n-00021510: 2231 3038 332e 3436 2c2d 3137 312e 3632  \"1083.46,-171.62\n-00021520: 2031 3039 312e 3437 2c2d 3136 342e 3639   1091.47,-164.69\n-00021530: 2031 3038 302e 3838 2c2d 3136 352e 3131   1080.88,-165.11\n-00021540: 2031 3038 332e 3436 2c2d 3137 312e 3632   1083.46,-171.62\n-00021550: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-00021560: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00021570: 5f6c 6973 7465 645f 666f 7263 6573 2623  _listed_forces&#\n-00021580: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00021590: 635f 6772 6f6d 6163 735f 6e62 6e78 6d20  c_gromacs_nbnxm \n-000215a0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n-000215b0: 3332 2220 636c 6173 733d 2265 6467 6522  32\" class=\"edge\"\n-000215c0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-000215d0: 7372 635f 6772 6f6d 6163 735f 6c69 7374  src_gromacs_list\n-000215e0: 6564 5f66 6f72 6365 7326 2334 353b 2667  ed_forces&#45;&g\n-000215f0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00021600: 6d61 6373 5f6e 626e 786d 3c2f 7469 746c  macs_nbnxm</titl\n-00021610: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00021620: 6f6e 6522 2073 7472 6f6b 653d 2272 6564  one\" stroke=\"red\n-00021630: 2220 643d 224d 3830 312e 322c 2d32 3934  \" d=\"M801.2,-294\n-00021640: 2e37 3643 3739 392e 3635 2c2d 3330 322e  .76C799.65,-302.\n-00021650: 3438 2037 3936 2e34 382c 2d33 3132 2e35  48 796.48,-312.5\n-00021660: 2037 3932 2e38 362c 2d33 3231 2e33 3922   792.86,-321.39\"\n-00021670: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00021680: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n-00021690: 6564 2220 706f 696e 7473 3d22 3738 392e  ed\" points=\"789.\n-000216a0: 3536 2c2d 3332 302e 3220 3738 382e 3635  56,-320.2 788.65\n-000216b0: 2c2d 3333 302e 3736 2037 3935 2e39 342c  ,-330.76 795.94,\n-000216c0: 2d33 3233 2e30 3720 3738 392e 3536 2c2d  -323.07 789.56,-\n-000216d0: 3332 302e 3222 2f3e 0a3c 2f67 3e0a 3c21  320.2\"/>.</g>.<!\n-000216e0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-000216f0: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72  omacs_listed_for\n-00021700: 6365 7326 2334 353b 2667 743b 6d6f 6475  ces&#45;&gt;modu\n-00021710: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64  le_src_gromacs_d\n-00021720: 6f6d 6465 6320 2d2d 3e0a 3c67 2069 643d  omdec -->.<g id=\n-00021730: 2265 6467 6532 3333 2220 636c 6173 733d  \"edge233\" class=\n-00021740: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00021750: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00021760: 735f 6c69 7374 6564 5f66 6f72 6365 7326  s_listed_forces&\n-00021770: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00021780: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465  rc_gromacs_domde\n-00021790: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820  c</title>.<path \n-000217a0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-000217b0: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n-000217c0: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-000217d0: 2c32 2220 643d 224d 3735 302e 3035 2c2d  ,2\" d=\"M750.05,-\n-000217e0: 3238 332e 3931 4336 3536 2e37 362c 2d32  283.91C656.76,-2\n-000217f0: 3930 2e39 3220 3436 312e 3134 2c2d 3332  90.92 461.14,-32\n-00021800: 312e 3832 2034 3038 2c2d 3435 362e 3039  1.82 408,-456.09\n-00021810: 2034 3033 2e36 312c 2d34 3637 2e31 3920   403.61,-467.19 \n-00021820: 3430 302e 3933 2c2d 3437 332e 3334 2034  400.93,-473.34 4\n-00021830: 3038 2c2d 3438 322e 3936 2034 3339 2e37  08,-482.96 439.7\n-00021840: 312c 2d35 3236 2e31 3220 3439 312e 3239  1,-526.12 491.29\n-00021850: 2c2d 3437 352e 3820 3532 332c 2d35 3138  ,-475.8 523,-518\n-00021860: 2e39 3620 3539 372e 3231 2c2d 3631 392e  .96 597.21,-619.\n-00021870: 3935 2034 3234 2e32 382c 2d36 3834 2e30  95 424.28,-684.0\n-00021880: 3920 3437 382c 2d37 3937 2e33 3120 3531  9 478,-797.31 51\n-00021890: 352e 3537 2c2d 3837 362e 3439 2036 3038  5.57,-876.49 608\n-000218a0: 2e37 382c 2d39 3331 2e32 3720 3635 352e  .78,-931.27 655.\n-000218b0: 3939 2c2d 3935 362e 3232 222f 3e0a 3c70  99,-956.22\"/>.<p\n-000218c0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n-000218d0: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n-000218e0: 3832 6663 6322 2070 6f69 6e74 733d 2236  82fcc\" points=\"6\n-000218f0: 3534 2e35 372c 2d39 3539 2e34 3320 3636  54.57,-959.43 66\n-00021900: 352e 3036 2c2d 3936 302e 3935 2036 3537  5.06,-960.95 657\n-00021910: 2e38 312c 2d39 3533 2e32 3220 3635 342e  .81,-953.22 654.\n-00021920: 3537 2c2d 3935 392e 3433 222f 3e0a 3c2f  57,-959.43\"/>.</\n-00021930: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00021940: 7263 5f67 726f 6d61 6373 5f6c 6973 7465  rc_gromacs_liste\n-00021950: 645f 666f 7263 6573 2623 3435 3b26 6774  d_forces&#45;&gt\n-00021960: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00021970: 6163 735f 6d64 6c69 6220 2d2d 3e0a 3c67  acs_mdlib -->.<g\n-00021980: 2069 643d 2265 6467 6532 3239 2220 636c   id=\"edge229\" cl\n-00021990: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-000219a0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-000219b0: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72  omacs_listed_for\n-000219c0: 6365 7326 2334 353b 2667 743b 6d6f 6475  ces&#45;&gt;modu\n-000219d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-000219e0: 646c 6962 3c2f 7469 746c 653e 0a3c 7061  dlib</title>.<pa\n-000219f0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-00021a00: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-00021a10: 643d 224d 3834 322e 3132 2c2d 3237 332e  d=\"M842.12,-273.\n-00021a20: 3137 4339 3234 2e33 322c 2d32 3630 2e37  17C924.32,-260.7\n-00021a30: 3820 3131 3034 2e35 312c 2d32 3334 2e36  8 1104.51,-234.6\n-00021a40: 3920 3131 3832 2e37 312c 2d32 3233 2e38  9 1182.71,-223.8\n-00021a50: 3922 2f3e 0a3c 706f 6c79 676f 6e20 6669  9\"/>.<polygon fi\n-00021a60: 6c6c 3d22 2362 6662 6662 6622 2073 7472  ll=\"#bfbfbf\" str\n-00021a70: 6f6b 653d 2223 6266 6266 6266 2220 706f  oke=\"#bfbfbf\" po\n-00021a80: 696e 7473 3d22 3131 3833 2e36 312c 2d32  ints=\"1183.61,-2\n-00021a90: 3237 2e33 2031 3139 332e 3034 2c2d 3232  27.3 1193.04,-22\n-00021aa0: 322e 3437 2031 3138 322e 3636 2c2d 3232  2.47 1182.66,-22\n-00021ab0: 302e 3336 2031 3138 332e 3631 2c2d 3232  0.36 1183.61,-22\n-00021ac0: 372e 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d  7.3\"/>.</g>.<!--\n-00021ad0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-00021ae0: 6163 735f 6c69 7374 6564 5f66 6f72 6365  acs_listed_force\n-00021af0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-00021b00: 5f73 7263 5f67 726f 6d61 6373 5f68 6172  _src_gromacs_har\n-00021b10: 6477 6172 6520 2d2d 3e0a 3c67 2069 643d  dware -->.<g id=\n-00021b20: 2265 6467 6532 3331 2220 636c 6173 733d  \"edge231\" class=\n-00021b30: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00021b40: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00021b50: 735f 6c69 7374 6564 5f66 6f72 6365 7326  s_listed_forces&\n-00021b60: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00021b70: 7263 5f67 726f 6d61 6373 5f68 6172 6477  rc_gromacs_hardw\n-00021b80: 6172 653c 2f74 6974 6c65 3e0a 3c70 6174  are</title>.<pat\n-00021b90: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00021ba0: 726f 6b65 3d22 7265 6422 2064 3d22 4d37  roke=\"red\" d=\"M7\n-00021bb0: 3638 2e30 342c 2d32 3931 2e35 3643 3731  68.04,-291.56C71\n-00021bc0: 362e 392c 2d33 3037 2e38 3220 3631 342e  6.9,-307.82 614.\n-00021bd0: 3635 2c2d 3334 332e 3834 2035 3338 2c2d  65,-343.84 538,-\n-00021be0: 3339 332e 3232 2035 3334 2e35 332c 2d33  393.22 534.53,-3\n-00021bf0: 3935 2e34 3520 3439 392e 3233 2c2d 3432  95.45 499.23,-42\n-00021c00: 382e 3139 2034 3736 2e30 392c 2d34 3439  8.19 476.09,-449\n-00021c10: 2e37 3622 2f3e 0a3c 706f 6c79 676f 6e20  .76\"/>.<polygon \n-00021c20: 6669 6c6c 3d22 7265 6422 2073 7472 6f6b  fill=\"red\" strok\n-00021c30: 653d 2272 6564 2220 706f 696e 7473 3d22  e=\"red\" points=\"\n-00021c40: 3437 332e 372c 2d34 3437 2e32 3120 3436  473.7,-447.21 46\n-00021c50: 382e 3737 2c2d 3435 362e 3539 2034 3738  8.77,-456.59 478\n-00021c60: 2e34 372c 2d34 3532 2e33 3220 3437 332e  .47,-452.32 473.\n-00021c70: 372c 2d34 3437 2e32 3122 2f3e 0a3c 2f67  7,-447.21\"/>.</g\n-00021c80: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-00021c90: 635f 6772 6f6d 6163 735f 6c69 7374 6564  c_gromacs_listed\n-00021ca0: 5f66 6f72 6365 7326 2334 353b 2667 743b  _forces&#45;&gt;\n-00021cb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00021cc0: 6373 5f67 7075 5f75 7469 6c73 202d 2d3e  cs_gpu_utils -->\n-00021cd0: 0a3c 6720 6964 3d22 6564 6765 3232 3622  .<g id=\"edge226\"\n-00021ce0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-00021cf0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00021d00: 5f67 726f 6d61 6373 5f6c 6973 7465 645f  _gromacs_listed_\n-00021d10: 666f 7263 6573 2623 3435 3b26 6774 3b6d  forces&#45;&gt;m\n-00021d20: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00021d30: 735f 6770 755f 7574 696c 733c 2f74 6974  s_gpu_utils</tit\n-00021d40: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-00021d50: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265  none\" stroke=\"re\n-00021d60: 6422 2064 3d22 4d37 3833 2e38 2c2d 3239  d\" d=\"M783.8,-29\n-00021d70: 332e 3835 4337 3533 2e39 382c 2d33 3135  3.85C753.98,-315\n-00021d80: 2e38 3120 3639 302e 332c 2d33 3632 2e37  .81 690.3,-362.7\n-00021d90: 3120 3635 352e 3635 2c2d 3338 382e 3234  1 655.65,-388.24\n-00021da0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-00021db0: 6c3d 2272 6564 2220 7374 726f 6b65 3d22  l=\"red\" stroke=\"\n-00021dc0: 7265 6422 2070 6f69 6e74 733d 2236 3533  red\" points=\"653\n-00021dd0: 2e34 382c 2d33 3835 2e34 3920 3634 372e  .48,-385.49 647.\n-00021de0: 352c 2d33 3934 2e32 3420 3635 372e 3633  5,-394.24 657.63\n-00021df0: 2c2d 3339 312e 3132 2036 3533 2e34 382c  ,-391.12 653.48,\n-00021e00: 2d33 3835 2e34 3922 2f3e 0a3c 2f67 3e0a  -385.49\"/>.</g>.\n-00021e10: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00021e20: 6772 6f6d 6163 735f 6c69 7374 6564 5f66  gromacs_listed_f\n-00021e30: 6f72 6365 7326 2334 353b 2667 743b 6d6f  orces&#45;&gt;mo\n-00021e40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00021e50: 5f67 6d78 6c69 6220 2d2d 3e0a 3c67 2069  _gmxlib -->.<g i\n-00021e60: 643d 2265 6467 6532 3238 2220 636c 6173  d=\"edge228\" clas\n-00021e70: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-00021e80: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00021e90: 6163 735f 6c69 7374 6564 5f66 6f72 6365  acs_listed_force\n-00021ea0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-00021eb0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n-00021ec0: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174  lib</title>.<pat\n-00021ed0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00021ee0: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n-00021ef0: 3d22 4d38 3138 2e36 2c2d 3239 332e 3533  =\"M818.6,-293.53\n-00021f00: 4338 3332 2e39 322c 2d33 3032 2e38 2038  C832.92,-302.8 8\n-00021f10: 3532 2e39 322c 2d33 3136 2e35 2038 3639  52.92,-316.5 869\n-00021f20: 2c2d 3333 302e 3335 2031 3032 372e 3731  ,-330.35 1027.71\n-00021f30: 2c2d 3436 372e 3031 2031 3032 362e 3336  ,-467.01 1026.36\n-00021f40: 2c2d 3534 362e 3033 2031 3139 342c 2d36  ,-546.03 1194,-6\n-00021f50: 3731 2e35 3720 3132 3133 2e33 362c 2d36  71.57 1213.36,-6\n-00021f60: 3836 2e30 3720 3132 3337 2e36 392c 2d36  86.07 1237.69,-6\n-00021f70: 3938 2e34 3720 3132 3536 2e37 342c 2d37  98.47 1256.74,-7\n-00021f80: 3037 2e31 222f 3e0a 3c70 6f6c 7967 6f6e  07.1\"/>.<polygon\n-00021f90: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n-00021fa0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-00021fb0: 2070 6f69 6e74 733d 2231 3235 352e 3334   points=\"1255.34\n-00021fc0: 2c2d 3731 302e 3320 3132 3635 2e39 2c2d  ,-710.3 1265.9,-\n-00021fd0: 3731 312e 3134 2031 3235 382e 3136 2c2d  711.14 1258.16,-\n-00021fe0: 3730 332e 3920 3132 3535 2e33 342c 2d37  703.9 1255.34,-7\n-00021ff0: 3130 2e33 222f 3e0a 3c2f 673e 0a3c 212d  10.3\"/>.</g>.<!-\n-00022000: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00022010: 6d61 6373 5f6c 6973 7465 645f 666f 7263  macs_listed_forc\n-00022020: 6573 2623 3435 3b26 6774 3b6d 6f64 756c  es&#45;&gt;modul\n-00022030: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00022040: 7479 7065 7320 2d2d 3e0a 3c67 2069 643d  types -->.<g id=\n-00022050: 2265 6467 6532 3237 2220 636c 6173 733d  \"edge227\" class=\n-00022060: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00022070: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00022080: 735f 6c69 7374 6564 5f66 6f72 6365 7326  s_listed_forces&\n-00022090: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-000220a0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n-000220b0: 6573 3c2f 7469 746c 653e 0a3c 7061 7468  es</title>.<path\n-000220c0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-000220d0: 6f6b 653d 2272 6564 2220 643d 224d 3831  oke=\"red\" d=\"M81\n-000220e0: 382e 342c 2d32 3933 2e35 3743 3833 302e  8.4,-293.57C830.\n-000220f0: 3734 2c2d 3330 322e 3238 2038 3436 2e34  74,-302.28 846.4\n-00022100: 332c 2d33 3135 2e32 3620 3835 362c 2d33  3,-315.26 856,-3\n-00022110: 3330 2e33 3520 3932 342e 3834 2c2d 3433  30.35 924.84,-43\n-00022120: 382e 3833 2038 3835 2e30 352c 2d34 3839  8.83 885.05,-489\n-00022130: 2e39 3120 3933 342c 2d36 3038 2e37 2039  .91 934,-608.7 9\n-00022140: 3337 2e38 342c 2d36 3138 2e30 3120 3934  37.84,-618.01 94\n-00022150: 332e 3035 2c2d 3632 372e 3820 3934 372e  3.05,-627.8 947.\n-00022160: 3837 2c2d 3633 362e 3133 222f 3e0a 3c70  87,-636.13\"/>.<p\n-00022170: 6f6c 7967 6f6e 2066 696c 6c3d 2272 6564  olygon fill=\"red\n-00022180: 2220 7374 726f 6b65 3d22 7265 6422 2070  \" stroke=\"red\" p\n-00022190: 6f69 6e74 733d 2239 3434 2e39 322c 2d36  oints=\"944.92,-6\n-000221a0: 3338 2e30 3120 3935 332e 3035 2c2d 3634  38.01 953.05,-64\n-000221b0: 342e 3820 3935 302e 3932 2c2d 3633 342e  4.8 950.92,-634.\n-000221c0: 3432 2039 3434 2e39 322c 2d36 3338 2e30  42 944.92,-638.0\n-000221d0: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  1\"/>.</g>.<!-- m\n-000221e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-000221f0: 735f 6c69 7374 6564 5f66 6f72 6365 7326  s_listed_forces&\n-00022200: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00022210: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n-00022220: 7574 696c 6974 7920 2d2d 3e0a 3c67 2069  utility -->.<g i\n-00022230: 643d 2265 6467 6532 3334 2220 636c 6173  d=\"edge234\" clas\n-00022240: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-00022250: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00022260: 6163 735f 6c69 7374 6564 5f66 6f72 6365  acs_listed_force\n-00022270: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-00022280: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472  _src_gromacs_mdr\n-00022290: 756e 7574 696c 6974 793c 2f74 6974 6c65  unutility</title\n-000222a0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-000222b0: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n-000222c0: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n-000222d0: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n-000222e0: 3833 302e 3331 2c2d 3239 312e 3733 4338  830.31,-291.73C8\n-000222f0: 3538 2e31 2c2d 3330 302e 3935 2039 3030  58.1,-300.95 900\n-00022300: 2e32 332c 2d33 3135 2e35 3220 3933 362c  .23,-315.52 936,\n-00022310: 2d33 3330 2e33 3520 3130 3836 2e33 2c2d  -330.35 1086.3,-\n-00022320: 3339 322e 3634 2031 3236 302e 3036 2c2d  392.64 1260.06,-\n-00022330: 3438 302e 3338 2031 3332 382e 3739 2c2d  480.38 1328.79,-\n-00022340: 3531 352e 3733 222f 3e0a 3c70 6f6c 7967  515.73\"/>.<polyg\n-00022350: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n-00022360: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-00022370: 6322 2070 6f69 6e74 733d 2231 3332 372e  c\" points=\"1327.\n-00022380: 3239 2c2d 3531 382e 3839 2031 3333 372e  29,-518.89 1337.\n-00022390: 3738 2c2d 3532 302e 3336 2031 3333 302e  78,-520.36 1330.\n-000223a0: 3439 2c2d 3531 322e 3637 2031 3332 372e  49,-512.67 1327.\n-000223b0: 3239 2c2d 3531 382e 3839 222f 3e0a 3c2f  29,-518.89\"/>.</\n-000223c0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-000223d0: 7263 5f67 726f 6d61 6373 5f69 6d64 2623  rc_gromacs_imd&#\n-000223e0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-000223f0: 635f 6772 6f6d 6163 735f 646f 6d64 6563  c_gromacs_domdec\n-00022400: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-00022410: 3233 3622 2063 6c61 7373 3d22 6564 6765  236\" class=\"edge\n-00022420: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00022430: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64  _src_gromacs_imd\n-00022440: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00022450: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n-00022460: 6563 3c2f 7469 746c 653e 0a3c 7061 7468  ec</title>.<path\n-00022470: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-00022480: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n-00022490: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n-000224a0: 352c 3222 2064 3d22 4d31 3539 322e 3538  5,2\" d=\"M1592.58\n-000224b0: 2c2d 3136 382e 3234 4331 3535 382e 3033  ,-168.24C1558.03\n-000224c0: 2c2d 3231 332e 3034 2031 3431 352e 3237  ,-213.04 1415.27\n-000224d0: 2c2d 3337 342e 3636 2031 3331 322c 2d35  ,-374.66 1312,-5\n-000224e0: 3138 2e39 3620 3132 3436 2e33 362c 2d36  18.96 1246.36,-6\n-000224f0: 3130 2e36 3720 3132 3338 2e30 352c 2d36  10.67 1238.05,-6\n-00022500: 3338 2e39 3820 3131 3738 2c2d 3733 342e  38.98 1178,-734.\n-00022510: 3434 2031 3136 302e 3337 2c2d 3736 322e  44 1160.37,-762.\n-00022520: 3437 2031 3136 352e 3131 2c2d 3737 382e  47 1165.11,-778.\n-00022530: 3238 2031 3133 382c 2d37 3937 2e33 3120  28 1138,-797.31 \n-00022540: 3130 3737 2e39 392c 2d38 3339 2e34 3420  1077.99,-839.44 \n-00022550: 3130 3431 2e36 312c 2d37 3938 2e36 3520  1041.61,-798.65 \n-00022560: 3937 372c 2d38 3333 2e33 3120 3936 312e  977,-833.31 961.\n-00022570: 382c 2d38 3431 2e34 3620 3936 322e 3435  8,-841.46 962.45\n-00022580: 2c2d 3834 392e 3338 2039 3439 2c2d 3836  ,-849.38 949,-86\n-00022590: 302e 3138 2039 3236 2e35 312c 2d38 3738  0.18 926.51,-878\n-000225a0: 2e32 3420 3931 382e 3231 2c2d 3837 392e  .24 918.21,-879.\n-000225b0: 3036 2038 3935 2c2d 3839 362e 3138 2038  06 895,-896.18 8\n-000225c0: 3739 2e37 382c 2d39 3037 2e34 3120 3837  79.78,-907.41 87\n-000225d0: 382e 3737 2c2d 3931 342e 3320 3836 322c  8.77,-914.3 862,\n-000225e0: 2d39 3233 2e30 3520 3833 382e 3631 2c2d  -923.05 838.61,-\n-000225f0: 3933 352e 3237 2037 3639 2e37 312c 2d39  935.27 769.71,-9\n-00022600: 3533 2e30 3820 3732 342e 3638 2c2d 3936  53.08 724.68,-96\n-00022610: 332e 3335 222f 3e0a 3c70 6f6c 7967 6f6e  3.35\"/>.<polygon\n-00022620: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n-00022630: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-00022640: 2070 6f69 6e74 733d 2237 3233 2e38 392c   points=\"723.89,\n-00022650: 2d39 3539 2e39 3420 3731 342e 392c 2d39  -959.94 714.9,-9\n-00022660: 3635 2e35 3520 3732 352e 3433 2c2d 3936  65.55 725.43,-96\n-00022670: 362e 3737 2037 3233 2e38 392c 2d39 3539  6.77 723.89,-959\n-00022680: 2e39 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .94\"/>.</g>.<!--\n+00017b90: 5f67 726f 6d61 6373 5f67 6d78 6c69 623c  _gromacs_gmxlib<\n+00017ba0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00017bb0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00017bc0: 3d22 2362 6662 6662 6622 2064 3d22 4d34  =\"#bfbfbf\" d=\"M4\n+00017bd0: 3931 2e36 382c 2d31 3237 382e 3532 4335  91.68,-1278.52C5\n+00017be0: 3736 2e36 312c 2d31 3234 392e 3836 2038  76.61,-1249.86 8\n+00017bf0: 3837 2e31 312c 2d31 3134 352e 3038 2039  87.11,-1145.08 9\n+00017c00: 3839 2e37 392c 2d31 3131 302e 3433 222f  89.79,-1110.43\"/\n+00017c10: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00017c20: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n+00017c30: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n+00017c40: 733d 2239 3930 2e39 382c 2d31 3131 332e  s=\"990.98,-1113.\n+00017c50: 3733 2039 3939 2e33 342c 2d31 3130 372e  73 999.34,-1107.\n+00017c60: 3231 2039 3838 2e37 342c 2d31 3130 372e  21 988.74,-1107.\n+00017c70: 3039 2039 3930 2e39 382c 2d31 3131 332e  09 990.98,-1113.\n+00017c80: 3733 222f 3e0a 3c2f 673e 0a3c 212d 2d20  73\"/>.</g>.<!-- \n+00017c90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00017ca0: 6373 5f74 6f6f 6c73 2623 3435 3b26 6774  cs_tools&#45;&gt\n+00017cb0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00017cc0: 6163 735f 7261 6e64 6f6d 202d 2d3e 0a3c  acs_random -->.<\n+00017cd0: 6720 6964 3d22 6564 6765 3137 3022 2063  g id=\"edge170\" c\n+00017ce0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00017cf0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00017d00: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435  romacs_tools&#45\n+00017d10: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00017d20: 6772 6f6d 6163 735f 7261 6e64 6f6d 3c2f  gromacs_random</\n+00017d30: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00017d40: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00017d50: 2262 6c61 636b 2220 7374 726f 6b65 2d64  \"black\" stroke-d\n+00017d60: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+00017d70: 3d22 4d34 3936 2e38 372c 2d31 3238 352e  =\"M496.87,-1285.\n+00017d80: 3436 4337 3136 2e33 2c2d 3132 3832 2e33  46C716.3,-1282.3\n+00017d90: 3620 3232 3037 2e37 332c 2d31 3236 302e  6 2207.73,-1260.\n+00017da0: 3520 3232 3939 2c2d 3132 3337 2e34 2032  5 2299,-1237.4 2\n+00017db0: 3336 372e 3439 2c2d 3132 3230 2e30 3720  367.49,-1220.07 \n+00017dc0: 3234 3339 2c2d 3132 3332 2e37 3520 3234  2439,-1232.75 24\n+00017dd0: 3339 2c2d 3131 3632 2e31 2032 3433 392c  39,-1162.1 2439,\n+00017de0: 2d31 3136 322e 3120 3234 3339 2c2d 3131  -1162.1 2439,-11\n+00017df0: 3632 2e31 2032 3433 392c 2d31 3033 342e  62.1 2439,-1034.\n+00017e00: 3336 2032 3433 392c 2d37 3432 2e31 3120  36 2439,-742.11 \n+00017e10: 3234 3738 2e36 312c 2d36 3138 2e39 3520  2478.61,-618.95 \n+00017e20: 3232 3933 2c2d 3339 332e 3232 2032 3233  2293,-393.22 223\n+00017e30: 382e 342c 2d33 3236 2e38 3120 3232 3235  8.4,-326.81 2225\n+00017e40: 2e34 312c 2d33 3030 2e34 3320 3231 3436  .41,-300.43 2146\n+00017e50: 2c2d 3236 372e 3438 2032 3032 382e 3839  ,-267.48 2028.89\n+00017e60: 2c2d 3231 382e 3839 2031 3938 382e 3139  ,-218.89 1988.19\n+00017e70: 2c2d 3235 312e 3538 2031 3836 332c 2d32  ,-251.58 1863,-2\n+00017e80: 3331 2e34 3820 3138 3535 2e30 362c 2d32  31.48 1855.06,-2\n+00017e90: 3330 2e32 3120 3138 3436 2e36 312c 2d32  30.21 1846.61,-2\n+00017ea0: 3238 2e36 3820 3138 3338 2e35 332c 2d32  28.68 1838.53,-2\n+00017eb0: 3237 2e31 3422 2f3e 0a3c 706f 6c79 676f  27.14\"/>.<polygo\n+00017ec0: 6e20 6669 6c6c 3d22 626c 6163 6b22 2073  n fill=\"black\" s\n+00017ed0: 7472 6f6b 653d 2262 6c61 636b 2220 706f  troke=\"black\" po\n+00017ee0: 696e 7473 3d22 3138 3339 2e30 352c 2d32  ints=\"1839.05,-2\n+00017ef0: 3233 2e36 3820 3138 3238 2e35 362c 2d32  23.68 1828.56,-2\n+00017f00: 3235 2e32 3120 3138 3337 2e37 312c 2d32  25.21 1837.71,-2\n+00017f10: 3330 2e35 3520 3138 3339 2e30 352c 2d32  30.55 1839.05,-2\n+00017f20: 3233 2e36 3822 2f3e 0a3c 2f67 3e0a 3c21  23.68\"/>.</g>.<!\n+00017f30: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00017f40: 6f6d 6163 735f 746f 6f6c 7326 2334 353b  omacs_tools&#45;\n+00017f50: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00017f60: 726f 6d61 6373 5f6d 6474 7970 6573 202d  romacs_mdtypes -\n+00017f70: 2d3e 0a3c 6720 6964 3d22 6564 6765 3136  ->.<g id=\"edge16\n+00017f80: 3422 2063 6c61 7373 3d22 6564 6765 223e  4\" class=\"edge\">\n+00017f90: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00017fa0: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73  rc_gromacs_tools\n+00017fb0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00017fc0: 7372 635f 6772 6f6d 6163 735f 6d64 7479  src_gromacs_mdty\n+00017fd0: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174  pes</title>.<pat\n+00017fe0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00017ff0: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n+00018000: 3d22 4d34 3836 2e38 322c 2d31 3237 362e  =\"M486.82,-1276.\n+00018010: 3232 4335 3133 2e37 352c 2d31 3236 312e  22C513.75,-1261.\n+00018020: 3036 2035 3638 2e34 362c 2d31 3233 312e  06 568.46,-1231.\n+00018030: 3220 3631 372c 2d31 3231 302e 3533 2037  2 617,-1210.53 7\n+00018040: 3734 2e38 362c 2d31 3134 332e 3331 2038  74.86,-1143.31 8\n+00018050: 3134 2e35 322c 2d31 3132 322e 3039 2039  14.52,-1122.09 9\n+00018060: 3832 2c2d 3130 3834 2e37 3920 3131 3237  82,-1084.79 1127\n+00018070: 2e33 2c2d 3130 3532 2e34 3320 3133 3033  .3,-1052.43 1303\n+00018080: 2e37 392c 2d31 3034 312e 3437 2031 3338  .79,-1041.47 138\n+00018090: 372e 3038 2c2d 3130 3337 2e39 3422 2f3e  7.08,-1037.94\"/>\n+000180a0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+000180b0: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n+000180c0: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n+000180d0: 3d22 3133 3837 2e34 2c2d 3130 3431 2e34  =\"1387.4,-1041.4\n+000180e0: 3320 3133 3937 2e32 352c 2d31 3033 372e  3 1397.25,-1037.\n+000180f0: 3533 2031 3338 372e 3131 2c2d 3130 3334  53 1387.11,-1034\n+00018100: 2e34 3420 3133 3837 2e34 2c2d 3130 3431  .44 1387.4,-1041\n+00018110: 2e34 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .43\"/>.</g>.<!--\n+00018120: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00018130: 6163 735f 746f 6f6c 7326 2334 353b 2667  acs_tools&#45;&g\n+00018140: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00018150: 6d61 6373 5f6c 6973 7465 645f 666f 7263  macs_listed_forc\n+00018160: 6573 202d 2d3e 0a3c 6720 6964 3d22 6564  es -->.<g id=\"ed\n+00018170: 6765 3137 3222 2063 6c61 7373 3d22 6564  ge172\" class=\"ed\n+00018180: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+00018190: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n+000181a0: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64  ools&#45;&gt;mod\n+000181b0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000181c0: 6c69 7374 6564 5f66 6f72 6365 733c 2f74  listed_forces</t\n+000181d0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+000181e0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+000181f0: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n+00018200: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+00018210: 643d 224d 3434 332e 3231 2c2d 3132 3834  d=\"M443.21,-1284\n+00018220: 2e34 4333 3730 2e35 362c 2d31 3238 302e  .4C370.56,-1280.\n+00018230: 3136 2031 3731 2e33 352c 2d31 3236 362e  16 171.35,-1266.\n+00018240: 3135 2031 3133 2c2d 3132 3337 2e34 2037  15 113,-1237.4 7\n+00018250: 302e 3335 2c2d 3132 3136 2e33 3820 3337  0.35,-1216.38 37\n+00018260: 2c2d 3132 3039 2e36 3520 3337 2c2d 3131  ,-1209.65 37,-11\n+00018270: 3632 2e31 2033 372c 2d31 3136 322e 3120  62.1 37,-1162.1 \n+00018280: 3337 2c2d 3131 3632 2e31 2033 372c 2d36  37,-1162.1 37,-6\n+00018290: 3537 2e31 3420 3337 2c2d 3436 382e 3031  57.14 37,-468.01\n+000182a0: 2035 362e 332c 2d33 3830 2e34 3120 3230   56.3,-380.41 20\n+000182b0: 382c 2d32 3637 2e34 3820 3234 322e 3934  8,-267.48 242.94\n+000182c0: 2c2d 3234 312e 3437 2032 3930 2e39 332c  ,-241.47 290.93,\n+000182d0: 2d32 3239 2e34 3320 3332 382e 3433 2c2d  -229.43 328.43,-\n+000182e0: 3232 332e 3835 222f 3e0a 3c70 6f6c 7967  223.85\"/>.<polyg\n+000182f0: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n+00018300: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+00018310: 6322 2070 6f69 6e74 733d 2233 3239 2e32  c\" points=\"329.2\n+00018320: 382c 2d32 3237 2e32 3720 3333 382e 3731  8,-227.27 338.71\n+00018330: 2c2d 3232 322e 3434 2033 3238 2e33 332c  ,-222.44 328.33,\n+00018340: 2d32 3230 2e33 3320 3332 392e 3238 2c2d  -220.33 329.28,-\n+00018350: 3232 372e 3237 222f 3e0a 3c2f 673e 0a3c  227.27\"/>.</g>.<\n+00018360: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00018370: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435  romacs_tools&#45\n+00018380: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00018390: 6772 6f6d 6163 735f 6669 6c65 696f 202d  gromacs_fileio -\n+000183a0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3136  ->.<g id=\"edge16\n+000183b0: 3222 2063 6c61 7373 3d22 6564 6765 223e  2\" class=\"edge\">\n+000183c0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+000183d0: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73  rc_gromacs_tools\n+000183e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+000183f0: 7372 635f 6772 6f6d 6163 735f 6669 6c65  src_gromacs_file\n+00018400: 696f 3c2f 7469 746c 653e 0a3c 7061 7468  io</title>.<path\n+00018410: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00018420: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n+00018430: 224d 3439 362e 3838 2c2d 3132 3835 2e34  \"M496.88,-1285.4\n+00018440: 3143 3637 332e 3532 2c2d 3132 3832 2e35  1C673.52,-1282.5\n+00018450: 3520 3136 3730 2e31 342c 2d31 3236 352e  5 1670.14,-1265.\n+00018460: 3334 2031 3937 332c 2d31 3233 372e 3420  34 1973,-1237.4 \n+00018470: 3231 3634 2e34 362c 2d31 3231 392e 3734  2164.46,-1219.74\n+00018480: 2032 3339 392c 2d31 3335 342e 3336 2032   2399,-1354.36 2\n+00018490: 3339 392c 2d31 3136 322e 3120 3233 3939  399,-1162.1 2399\n+000184a0: 2c2d 3131 3632 2e31 2032 3339 392c 2d31  ,-1162.1 2399,-1\n+000184b0: 3136 322e 3120 3233 3939 2c2d 3130 3334  162.1 2399,-1034\n+000184c0: 2e33 3620 3233 3939 2c2d 3737 392e 3936  .36 2399,-779.96\n+000184d0: 2032 3337 362e 3135 2c2d 3633 352e 3437   2376.15,-635.47\n+000184e0: 2032 3135 302c 2d35 3138 2e39 3620 3230   2150,-518.96 20\n+000184f0: 3633 2e30 332c 2d34 3734 2e31 3620 3137  63.03,-474.16 17\n+00018500: 3539 2e33 2c2d 3437 302e 3236 2031 3635  59.3,-470.26 165\n+00018510: 322e 3439 2c2d 3437 302e 3331 222f 3e0a  2.49,-470.31\"/>.\n+00018520: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+00018530: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n+00018540: 2362 6662 6662 6622 2070 6f69 6e74 733d  #bfbfbf\" points=\n+00018550: 2231 3635 322e 322c 2d34 3636 2e38 3120  \"1652.2,-466.81 \n+00018560: 3136 3432 2e32 2c2d 3437 302e 3333 2031  1642.2,-470.33 1\n+00018570: 3635 322e 3231 2c2d 3437 332e 3831 2031  652.21,-473.81 1\n+00018580: 3635 322e 322c 2d34 3636 2e38 3122 2f3e  652.2,-466.81\"/>\n+00018590: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+000185a0: 655f 7372 635f 6772 6f6d 6163 735f 746f  e_src_gromacs_to\n+000185b0: 6f6c 7326 2334 353b 2667 743b 6d6f 6475  ols&#45;&gt;modu\n+000185c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n+000185d0: 7761 6c64 202d 2d3e 0a3c 6720 6964 3d22  wald -->.<g id=\"\n+000185e0: 6564 6765 3136 3622 2063 6c61 7373 3d22  edge166\" class=\"\n+000185f0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00018600: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00018610: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d  _tools&#45;&gt;m\n+00018620: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00018630: 735f 6577 616c 643c 2f74 6974 6c65 3e0a  s_ewald</title>.\n+00018640: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00018650: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+00018660: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n+00018670: 7261 793d 2235 2c32 2220 643d 224d 3434  ray=\"5,2\" d=\"M44\n+00018680: 332e 3031 2c2d 3132 3835 2e38 3343 3337  3.01,-1285.83C37\n+00018690: 302e 3938 2c2d 3132 3835 2e32 3520 3137  0.98,-1285.25 17\n+000186a0: 362e 3635 2c2d 3132 3739 2e36 3920 3133  6.65,-1279.69 13\n+000186b0: 322c 2d31 3233 372e 3420 3130 372e 3232  2,-1237.4 107.22\n+000186c0: 2c2d 3132 3133 2e39 3320 3131 372c 2d31  ,-1213.93 117,-1\n+000186d0: 3139 362e 3232 2031 3137 2c2d 3131 3632  196.22 117,-1162\n+000186e0: 2e31 2031 3137 2c2d 3131 3632 2e31 2031  .1 117,-1162.1 1\n+000186f0: 3137 2c2d 3131 3632 2e31 2031 3137 2c2d  17,-1162.1 117,-\n+00018700: 3130 3937 2e32 3320 3131 372c 2d39 3837  1097.23 117,-987\n+00018710: 2e39 3220 3239 312e 3739 2c2d 3937 332e  .92 291.79,-973.\n+00018720: 3631 2033 3731 2e38 322c 2d39 3732 2e37  61 371.82,-972.7\n+00018730: 3822 2f3e 0a3c 706f 6c79 676f 6e20 6669  8\"/>.<polygon fi\n+00018740: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n+00018750: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n+00018760: 696e 7473 3d22 3337 322e 3032 2c2d 3937  ints=\"372.02,-97\n+00018770: 362e 3238 2033 3832 2e30 312c 2d39 3732  6.28 382.01,-972\n+00018780: 2e37 3520 3337 312e 3939 2c2d 3936 392e  .75 371.99,-969.\n+00018790: 3238 2033 3732 2e30 322c 2d39 3736 2e32  28 372.02,-976.2\n+000187a0: 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  8\"/>.</g>.<!-- m\n+000187b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000187c0: 735f 746f 6f6c 7326 2334 353b 2667 743b  s_tools&#45;&gt;\n+000187d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000187e0: 6373 5f6d 646c 6962 202d 2d3e 0a3c 6720  cs_mdlib -->.<g \n+000187f0: 6964 3d22 6564 6765 3136 3822 2063 6c61  id=\"edge168\" cla\n+00018800: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+00018810: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+00018820: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26  macs_tools&#45;&\n+00018830: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00018840: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974  omacs_mdlib</tit\n+00018850: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00018860: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n+00018870: 6662 6662 6622 2064 3d22 4d34 3936 2e39  fbfbf\" d=\"M496.9\n+00018880: 332c 2d31 3238 352e 3439 4337 3031 2e39  3,-1285.49C701.9\n+00018890: 2c2d 3132 3832 2e37 3920 3230 3132 2e33  ,-1282.79 2012.3\n+000188a0: 362c 2d31 3236 342e 3535 2032 3138 362c  6,-1264.55 2186,\n+000188b0: 2d31 3233 372e 3420 3232 3933 2e35 322c  -1237.4 2293.52,\n+000188c0: 2d31 3232 302e 3539 2032 3431 392c 2d31  -1220.59 2419,-1\n+000188d0: 3237 302e 3933 2032 3431 392c 2d31 3136  270.93 2419,-116\n+000188e0: 322e 3120 3234 3139 2c2d 3131 3632 2e31  2.1 2419,-1162.1\n+000188f0: 2032 3431 392c 2d31 3136 322e 3120 3234   2419,-1162.1 24\n+00018900: 3139 2c2d 3130 3334 2e33 3620 3234 3139  19,-1034.36 2419\n+00018910: 2c2d 3832 342e 3232 2032 3432 342e 3938  ,-824.22 2424.98\n+00018920: 2c2d 3733 352e 3832 2032 3238 322c 2d35  ,-735.82 2282,-5\n+00018930: 3831 2e38 3320 3231 3730 2e31 392c 2d34  81.83 2170.19,-4\n+00018940: 3631 2e34 3120 3231 3136 2e39 352c 2d34  61.41 2116.95,-4\n+00018950: 3533 2e33 2031 3936 342c 2d33 3933 2e32  53.3 1964,-393.2\n+00018960: 3220 3138 3731 2e37 332c 2d33 3536 2e39  2 1871.73,-356.9\n+00018970: 3820 3138 3437 2e35 312c 2d33 3438 2e32  8 1847.51,-348.2\n+00018980: 3220 3137 3530 2c2d 3333 302e 3335 2031  2 1750,-330.35 1\n+00018990: 3532 392e 3132 2c2d 3238 392e 3836 2031  529.12,-289.86 1\n+000189a0: 3235 382e 3538 2c2d 3238 332e 3136 2031  258.58,-283.16 1\n+000189b0: 3135 392e 3631 2c2d 3238 322e 3122 2f3e  159.61,-282.1\"/>\n+000189c0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+000189d0: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n+000189e0: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n+000189f0: 3d22 3131 3539 2e35 322c 2d32 3738 2e35  =\"1159.52,-278.5\n+00018a00: 3920 3131 3439 2e34 382c 2d32 3832 2031  9 1149.48,-282 1\n+00018a10: 3135 392e 3435 2c2d 3238 352e 3539 2031  159.45,-285.59 1\n+00018a20: 3135 392e 3532 2c2d 3237 382e 3539 222f  159.52,-278.59\"/\n+00018a30: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00018a40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n+00018a50: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64  ools&#45;&gt;mod\n+00018a60: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00018a70: 636f 6d6d 616e 646c 696e 6520 2d2d 3e0a  commandline -->.\n+00018a80: 3c67 2069 643d 2265 6467 6531 3631 2220  <g id=\"edge161\" \n+00018a90: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+00018aa0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00018ab0: 6772 6f6d 6163 735f 746f 6f6c 7326 2334  gromacs_tools&#4\n+00018ac0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00018ad0: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64  _gromacs_command\n+00018ae0: 6c69 6e65 3c2f 7469 746c 653e 0a3c 7061  line</title>.<pa\n+00018af0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+00018b00: 7472 6f6b 653d 2262 6c61 636b 2220 7374  troke=\"black\" st\n+00018b10: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+00018b20: 352c 3222 2064 3d22 4d34 3432 2e39 2c2d  5,2\" d=\"M442.9,-\n+00018b30: 3132 3835 2e38 3643 3336 312e 3338 2c2d  1285.86C361.38,-\n+00018b40: 3132 3835 2e34 3520 3132 302e 312c 2d31  1285.45 120.1,-1\n+00018b50: 3238 302e 3534 2035 372c 2d31 3233 372e  280.54 57,-1237.\n+00018b60: 3420 3235 2e37 312c 2d31 3231 362e 3031  4 25.71,-1216.01\n+00018b70: 2031 372c 2d31 3139 392e 3939 2031 372c   17,-1199.99 17,\n+00018b80: 2d31 3136 322e 3120 3137 2c2d 3131 3632  -1162.1 17,-1162\n+00018b90: 2e31 2031 372c 2d31 3136 322e 3120 3137  .1 17,-1162.1 17\n+00018ba0: 2c2d 3334 322e 3739 2031 372c 2d32 3332  ,-342.79 17,-232\n+00018bb0: 2e36 3220 3537 2e37 362c 2d31 3737 2e33  .62 57.76,-177.3\n+00018bc0: 3920 3136 322c 2d31 3431 2e37 3420 3331  9 162,-141.74 31\n+00018bd0: 352e 3638 2c2d 3839 2e31 3820 3733 302e  5.68,-89.18 730.\n+00018be0: 3139 2c2d 3131 392e 3737 2038 3932 2c2d  19,-119.77 892,-\n+00018bf0: 3130 352e 3734 2039 3036 2e38 372c 2d31  105.74 906.87,-1\n+00018c00: 3034 2e34 3520 3932 322e 3933 2c2d 3130  04.45 922.93,-10\n+00018c10: 322e 3634 2039 3337 2e37 352c 2d31 3030  2.64 937.75,-100\n+00018c20: 2e38 222f 3e0a 3c70 6f6c 7967 6f6e 2066  .8\"/>.<polygon f\n+00018c30: 696c 6c3d 2262 6c61 636b 2220 7374 726f  ill=\"black\" stro\n+00018c40: 6b65 3d22 626c 6163 6b22 2070 6f69 6e74  ke=\"black\" point\n+00018c50: 733d 2239 3338 2e32 392c 2d31 3034 2e32  s=\"938.29,-104.2\n+00018c60: 3620 3934 372e 3737 2c2d 3939 2e35 3220  6 947.77,-99.52 \n+00018c70: 3933 372e 3431 2c2d 3937 2e33 3120 3933  937.41,-97.31 93\n+00018c80: 382e 3239 2c2d 3130 342e 3236 222f 3e0a  8.29,-104.26\"/>.\n+00018c90: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+00018ca0: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f  _src_gromacs_too\n+00018cb0: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c  ls&#45;&gt;modul\n+00018cc0: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+00018cd0: 7870 7265 7072 6f63 6573 7320 2d2d 3e0a  xpreprocess -->.\n+00018ce0: 3c67 2069 643d 2265 6467 6531 3731 2220  <g id=\"edge171\" \n+00018cf0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+00018d00: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00018d10: 6772 6f6d 6163 735f 746f 6f6c 7326 2334  gromacs_tools&#4\n+00018d20: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00018d30: 5f67 726f 6d61 6373 5f67 6d78 7072 6570  _gromacs_gmxprep\n+00018d40: 726f 6365 7373 3c2f 7469 746c 653e 0a3c  rocess</title>.<\n+00018d50: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00018d60: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+00018d70: 2220 643d 224d 3439 362e 3734 2c2d 3132  \" d=\"M496.74,-12\n+00018d80: 3834 2e35 3243 3634 392e 3332 2c2d 3132  84.52C649.32,-12\n+00018d90: 3737 2e30 3320 3134 3131 2e31 372c 2d31  77.03 1411.17,-1\n+00018da0: 3233 392e 3620 3136 3432 2e33 372c 2d31  239.6 1642.37,-1\n+00018db0: 3232 382e 3234 222f 3e0a 3c70 6f6c 7967  228.24\"/>.<polyg\n+00018dc0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n+00018dd0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+00018de0: 6622 2070 6f69 6e74 733d 2231 3634 322e  f\" points=\"1642.\n+00018df0: 3833 2c2d 3132 3331 2e37 3220 3136 3532  83,-1231.72 1652\n+00018e00: 2e36 352c 2d31 3232 372e 3733 2031 3634  .65,-1227.73 164\n+00018e10: 322e 3439 2c2d 3132 3234 2e37 3320 3136  2.49,-1224.73 16\n+00018e20: 3432 2e38 332c 2d31 3233 312e 3732 222f  42.83,-1231.72\"/\n+00018e30: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00018e40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n+00018e50: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64  ools&#45;&gt;mod\n+00018e60: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00018e70: 6d64 7275 6e20 2d2d 3e0a 3c67 2069 643d  mdrun -->.<g id=\n+00018e80: 2265 6467 6531 3633 2220 636c 6173 733d  \"edge163\" class=\n+00018e90: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+00018ea0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00018eb0: 735f 746f 6f6c 7326 2334 353b 2667 743b  s_tools&#45;&gt;\n+00018ec0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00018ed0: 6373 5f6d 6472 756e 3c2f 7469 746c 653e  cs_mdrun</title>\n+00018ee0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+00018ef0: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n+00018f00: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n+00018f10: 7272 6179 3d22 352c 3222 2064 3d22 4d34  rray=\"5,2\" d=\"M4\n+00018f20: 3936 2e39 372c 2d31 3238 352e 3339 4336  96.97,-1285.39C6\n+00018f30: 3630 2e30 362c 2d31 3238 322e 3632 2031  60.06,-1282.62 1\n+00018f40: 3531 362e 3131 2c2d 3132 3636 2e38 3420  516.11,-1266.84 \n+00018f50: 3137 3737 2c2d 3132 3337 2e34 2032 3030  1777,-1237.4 200\n+00018f60: 312e 3237 2c2d 3132 3132 2e30 3920 3231  1.27,-1212.09 21\n+00018f70: 3431 2e37 2c2d 3132 3938 2e30 3320 3232  41.7,-1298.03 22\n+00018f80: 3639 2c2d 3131 3131 2e36 3620 3233 3232  69,-1111.66 2322\n+00018f90: 2e31 372c 2d31 3033 332e 3832 2032 3039  .17,-1033.82 209\n+00018fa0: 362e 3837 2c2d 3832 302e 3520 3230 3137  6.87,-820.5 2017\n+00018fb0: 2c2d 3737 302e 3434 2031 3935 392e 3231  ,-770.44 1959.21\n+00018fc0: 2c2d 3733 342e 3232 2031 3934 312e 3935  ,-734.22 1941.95\n+00018fd0: 2c2d 3732 382e 3431 2031 3837 372c 2d37  ,-728.41 1877,-7\n+00018fe0: 3037 2e35 3720 3135 3431 2e35 372c 2d35  07.57 1541.57,-5\n+00018ff0: 3939 2e39 3520 3131 3039 2e31 352c 2d35  99.95 1109.15,-5\n+00019000: 3934 2e34 3220 3937 342e 3733 2c2d 3539  94.42 974.73,-59\n+00019010: 352e 3535 222f 3e0a 3c70 6f6c 7967 6f6e  5.55\"/>.<polygon\n+00019020: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n+00019030: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00019040: 2070 6f69 6e74 733d 2239 3734 2e34 342c   points=\"974.44,\n+00019050: 2d35 3932 2e30 3520 3936 342e 3438 2c2d  -592.05 964.48,-\n+00019060: 3539 352e 3635 2039 3734 2e35 312c 2d35  595.65 974.51,-5\n+00019070: 3939 2e30 3520 3937 342e 3434 2c2d 3539  99.05 974.44,-59\n+00019080: 322e 3035 222f 3e0a 3c2f 673e 0a3c 212d  2.05\"/>.</g>.<!-\n+00019090: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+000190a0: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26  macs_tools&#45;&\n+000190b0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+000190c0: 6f6d 6163 735f 6666 7420 2d2d 3e0a 3c67  omacs_fft -->.<g\n+000190d0: 2069 643d 2265 6467 6531 3637 2220 636c   id=\"edge167\" cl\n+000190e0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+000190f0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00019100: 6f6d 6163 735f 746f 6f6c 7326 2334 353b  omacs_tools&#45;\n+00019110: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00019120: 726f 6d61 6373 5f66 6674 3c2f 7469 746c  romacs_fft</titl\n+00019130: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+00019140: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n+00019150: 6266 6266 2220 643d 224d 3437 352e 3536  bfbf\" d=\"M475.56\n+00019160: 2c2d 3132 3733 2e33 3543 3439 392e 3738  ,-1273.35C499.78\n+00019170: 2c2d 3132 3138 2e39 3320 3539 362e 332c  ,-1218.93 596.3,\n+00019180: 2d31 3030 322e 3036 2036 3237 2e33 342c  -1002.06 627.34,\n+00019190: 2d39 3332 2e33 3322 2f3e 0a3c 706f 6c79  -932.33\"/>.<poly\n+000191a0: 676f 6e20 6669 6c6c 3d22 2362 6662 6662  gon fill=\"#bfbfb\n+000191b0: 6622 2073 7472 6f6b 653d 2223 6266 6266  f\" stroke=\"#bfbf\n+000191c0: 6266 2220 706f 696e 7473 3d22 3633 302e  bf\" points=\"630.\n+000191d0: 3535 2c2d 3933 332e 3731 2036 3331 2e34  55,-933.71 631.4\n+000191e0: 322c 2d39 3233 2e31 3520 3632 342e 3136  2,-923.15 624.16\n+000191f0: 2c2d 3933 302e 3836 2036 3330 2e35 352c  ,-930.86 630.55,\n+00019200: 2d39 3333 2e37 3122 2f3e 0a3c 2f67 3e0a  -933.71\"/>.</g>.\n+00019210: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00019220: 6772 6f6d 6163 735f 746f 6f6c 7326 2334  gromacs_tools&#4\n+00019230: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00019240: 5f67 726f 6d61 6373 5f74 7261 6a65 6374  _gromacs_traject\n+00019250: 6f72 7920 2d2d 3e0a 3c67 2069 643d 2265  ory -->.<g id=\"e\n+00019260: 6467 6531 3635 2220 636c 6173 733d 2265  dge165\" class=\"e\n+00019270: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00019280: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00019290: 746f 6f6c 7326 2334 353b 2667 743b 6d6f  tools&#45;&gt;mo\n+000192a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000192b0: 5f74 7261 6a65 6374 6f72 793c 2f74 6974  _trajectory</tit\n+000192c0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+000192d0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n+000192e0: 6662 6662 6622 2064 3d22 4d34 3937 2e31  fbfbf\" d=\"M497.1\n+000192f0: 312c 2d31 3238 352e 3632 4337 3231 2e37  1,-1285.62C721.7\n+00019300: 382c 2d31 3238 332e 3737 2032 3236 392e  8,-1283.77 2269.\n+00019310: 3133 2c2d 3132 3639 2e38 3820 3233 3631  13,-1269.88 2361\n+00019320: 2c2d 3132 3337 2e34 2032 3431 322e 3739  ,-1237.4 2412.79\n+00019330: 2c2d 3132 3139 2e30 3920 3234 3539 2c2d  ,-1219.09 2459,-\n+00019340: 3132 3137 2e30 3320 3234 3539 2c2d 3131  1217.03 2459,-11\n+00019350: 3632 2e31 2032 3435 392c 2d31 3136 322e  62.1 2459,-1162.\n+00019360: 3120 3234 3539 2c2d 3131 3632 2e31 2032  1 2459,-1162.1 2\n+00019370: 3435 392c 2d35 3934 2e32 3720 3234 3539  459,-594.27 2459\n+00019380: 2c2d 3430 322e 3433 2032 3335 312e 3837  ,-402.43 2351.87\n+00019390: 2c2d 3334 362e 3336 2032 3137 372c 2d32  ,-346.36 2177,-2\n+000193a0: 3637 2e34 3820 3231 3339 2e31 2c2d 3235  67.48 2139.1,-25\n+000193b0: 302e 3338 2032 3032 352e 3735 2c2d 3233  0.38 2025.75,-23\n+000193c0: 332e 3539 2031 3936 302e 3536 2c2d 3232  3.59 1960.56,-22\n+000193d0: 342e 3938 222f 3e0a 3c70 6f6c 7967 6f6e  4.98\"/>.<polygon\n+000193e0: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+000193f0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00019400: 2070 6f69 6e74 733d 2231 3936 302e 392c   points=\"1960.9,\n+00019410: 2d32 3231 2e34 3920 3139 3530 2e35 332c  -221.49 1950.53,\n+00019420: 2d32 3233 2e36 3720 3139 3630 2c2d 3232  -223.67 1960,-22\n+00019430: 382e 3434 2031 3936 302e 392c 2d32 3231  8.44 1960.9,-221\n+00019440: 2e34 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .49\"/>.</g>.<!--\n+00019450: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00019460: 6163 735f 676d 7861 6e61 2623 3435 3b26  acs_gmxana&#45;&\n+00019470: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00019480: 6f6d 6163 735f 676d 786c 6962 202d 2d3e  omacs_gmxlib -->\n+00019490: 0a3c 6720 6964 3d22 6564 6765 3138 3422  .<g id=\"edge184\"\n+000194a0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+000194b0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+000194c0: 5f67 726f 6d61 6373 5f67 6d78 616e 6126  _gromacs_gmxana&\n+000194d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+000194e0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69  rc_gromacs_gmxli\n+000194f0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n+00019500: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00019510: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n+00019520: 4d31 3934 392e 3531 2c2d 3131 3537 2e39  M1949.51,-1157.9\n+00019530: 3143 3138 3032 2e31 322c 2d31 3134 382e  1C1802.12,-1148.\n+00019540: 3538 2031 3232 352e 3332 2c2d 3131 3132  58 1225.32,-1112\n+00019550: 2e30 3420 3130 3634 2e37 312c 2d31 3130  .04 1064.71,-110\n+00019560: 312e 3837 222f 3e0a 3c70 6f6c 7967 6f6e  1.87\"/>.<polygon\n+00019570: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+00019580: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00019590: 2070 6f69 6e74 733d 2231 3036 342e 3531   points=\"1064.51\n+000195a0: 2c2d 3130 3938 2e33 3520 3130 3534 2e33  ,-1098.35 1054.3\n+000195b0: 312c 2d31 3130 312e 3231 2031 3036 342e  1,-1101.21 1064.\n+000195c0: 3037 2c2d 3131 3035 2e33 3320 3130 3634  07,-1105.33 1064\n+000195d0: 2e35 312c 2d31 3039 382e 3335 222f 3e0a  .51,-1098.35\"/>.\n+000195e0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+000195f0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n+00019600: 616e 6126 2334 353b 2667 743b 6d6f 6475  ana&#45;&gt;modu\n+00019610: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63  le_src_gromacs_c\n+00019620: 6f72 7265 6c61 7469 6f6e 6675 6e63 7469  orrelationfuncti\n+00019630: 6f6e 7320 2d2d 3e0a 3c67 2069 643d 2265  ons -->.<g id=\"e\n+00019640: 6467 6531 3734 2220 636c 6173 733d 2265  dge174\" class=\"e\n+00019650: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00019660: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00019670: 676d 7861 6e61 2623 3435 3b26 6774 3b6d  gmxana&#45;&gt;m\n+00019680: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00019690: 735f 636f 7272 656c 6174 696f 6e66 756e  s_correlationfun\n+000196a0: 6374 696f 6e73 3c2f 7469 746c 653e 0a3c  ctions</title>.<\n+000196b0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+000196c0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+000196d0: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+000196e0: 6179 3d22 352c 3222 2064 3d22 4d31 3936  ay=\"5,2\" d=\"M196\n+000196f0: 302e 3532 2c2d 3131 3530 2e39 3843 3139  0.52,-1150.98C19\n+00019700: 3433 2e33 372c 2d31 3134 332e 3132 2031  43.37,-1143.12 1\n+00019710: 3932 302e 3934 2c2d 3131 3330 2e31 2031  920.94,-1130.1 1\n+00019720: 3930 382c 2d31 3131 312e 3636 2031 3838  908,-1111.66 188\n+00019730: 332e 3435 2c2d 3130 3736 2e36 3920 3138  3.45,-1076.69 18\n+00019740: 3737 2e39 352c 2d31 3032 352e 3532 2031  77.95,-1025.52 1\n+00019750: 3837 362e 3934 2c2d 3939 362e 3236 222f  876.94,-996.26\"/\n+00019760: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00019770: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+00019780: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n+00019790: 733d 2231 3838 302e 3434 2c2d 3939 362e  s=\"1880.44,-996.\n+000197a0: 3133 2031 3837 362e 3735 2c2d 3938 362e  13 1876.75,-986.\n+000197b0: 3220 3138 3733 2e34 342c 2d39 3936 2e32  2 1873.44,-996.2\n+000197c0: 3620 3138 3830 2e34 342c 2d39 3936 2e31  6 1880.44,-996.1\n+000197d0: 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  3\"/>.</g>.<!-- m\n+000197e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000197f0: 735f 676d 7861 6e61 2623 3435 3b26 6774  s_gmxana&#45;&gt\n+00019800: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00019810: 6163 735f 7261 6e64 6f6d 202d 2d3e 0a3c  acs_random -->.<\n+00019820: 6720 6964 3d22 6564 6765 3137 3822 2063  g id=\"edge178\" c\n+00019830: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00019840: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00019850: 726f 6d61 6373 5f67 6d78 616e 6126 2334  romacs_gmxana&#4\n+00019860: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00019870: 5f67 726f 6d61 6373 5f72 616e 646f 6d3c  _gromacs_random<\n+00019880: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00019890: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+000198a0: 3d22 626c 6163 6b22 2073 7472 6f6b 652d  =\"black\" stroke-\n+000198b0: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+000198c0: 643d 224d 3230 3130 2e31 322c 2d31 3135  d=\"M2010.12,-115\n+000198d0: 312e 3943 3230 3330 2e34 362c 2d31 3134  1.9C2030.46,-114\n+000198e0: 342e 3334 2032 3035 382e 3134 2c2d 3131  4.34 2058.14,-11\n+000198f0: 3331 2e32 3920 3230 3736 2c2d 3131 3131  31.29 2076,-1111\n+00019900: 2e36 3620 3231 3030 2e33 362c 2d31 3038  .66 2100.36,-108\n+00019910: 342e 3839 2032 3130 372c 2d31 3037 322e  4.89 2107,-1072.\n+00019920: 3535 2032 3130 372c 2d31 3033 362e 3336  55 2107,-1036.36\n+00019930: 2032 3130 372c 2d31 3033 362e 3336 2032   2107,-1036.36 2\n+00019940: 3130 372c 2d31 3033 362e 3336 2032 3130  107,-1036.36 210\n+00019950: 372c 2d39 3731 2e34 3920 3231 3037 2c2d  7,-971.49 2107,-\n+00019960: 3739 332e 3032 2032 3231 382e 3036 2c2d  793.02 2218.06,-\n+00019970: 3735 392e 3734 2032 3230 342c 2d35 3831  759.74 2204,-581\n+00019980: 2e38 3320 3231 3937 2e33 312c 2d34 3937  .83 2197.31,-497\n+00019990: 2e32 3120 3232 3032 2e34 362c 2d34 3733  .21 2202.46,-473\n+000199a0: 2e31 3920 3231 3734 2c2d 3339 332e 3232  .19 2174,-393.22\n+000199b0: 2032 3135 322e 3334 2c2d 3333 322e 3334   2152.34,-332.34\n+000199c0: 2032 3135 342e 3433 2c2d 3330 332e 3833   2154.43,-303.83\n+000199d0: 2032 3130 312c 2d32 3637 2e34 3820 3230   2101,-267.48 20\n+000199e0: 3132 2e35 352c 2d32 3037 2e33 2031 3936  12.55,-207.3 196\n+000199f0: 382e 3432 2c2d 3234 392e 3639 2031 3836  8.42,-249.69 186\n+00019a00: 332c 2d32 3331 2e34 3820 3138 3535 2e30  3,-231.48 1855.0\n+00019a10: 382c 2d32 3330 2e31 3120 3138 3436 2e36  8,-230.11 1846.6\n+00019a20: 332c 2d32 3238 2e35 3520 3138 3338 2e35  3,-228.55 1838.5\n+00019a30: 352c 2d32 3237 222f 3e0a 3c70 6f6c 7967  5,-227\"/>.<polyg\n+00019a40: 6f6e 2066 696c 6c3d 2262 6c61 636b 2220  on fill=\"black\" \n+00019a50: 7374 726f 6b65 3d22 626c 6163 6b22 2070  stroke=\"black\" p\n+00019a60: 6f69 6e74 733d 2231 3833 392e 3037 2c2d  oints=\"1839.07,-\n+00019a70: 3232 332e 3533 2031 3832 382e 3539 2c2d  223.53 1828.59,-\n+00019a80: 3232 352e 3036 2031 3833 372e 3733 2c2d  225.06 1837.73,-\n+00019a90: 3233 302e 3420 3138 3339 2e30 372c 2d32  230.4 1839.07,-2\n+00019aa0: 3233 2e35 3322 2f3e 0a3c 2f67 3e0a 3c21  23.53\"/>.</g>.<!\n+00019ab0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00019ac0: 6f6d 6163 735f 676d 7861 6e61 2623 3435  omacs_gmxana&#45\n+00019ad0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00019ae0: 6772 6f6d 6163 735f 6d64 7479 7065 7320  gromacs_mdtypes \n+00019af0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+00019b00: 3737 2220 636c 6173 733d 2265 6467 6522  77\" class=\"edge\"\n+00019b10: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00019b20: 7372 635f 6772 6f6d 6163 735f 676d 7861  src_gromacs_gmxa\n+00019b30: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c  na&#45;&gt;modul\n+00019b40: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+00019b50: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70  types</title>.<p\n+00019b60: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00019b70: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00019b80: 2064 3d22 4d31 3935 342e 3438 2c2d 3131   d=\"M1954.48,-11\n+00019b90: 3533 2e34 3443 3138 3632 2e36 362c 2d31  53.44C1862.66,-1\n+00019ba0: 3133 322e 3735 2031 3538 312e 3839 2c2d  132.75 1581.89,-\n+00019bb0: 3130 3639 2e34 3620 3134 3736 2c2d 3130  1069.46 1476,-10\n+00019bc0: 3435 2e36 222f 3e0a 3c70 6f6c 7967 6f6e  45.6\"/>.<polygon\n+00019bd0: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+00019be0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00019bf0: 2070 6f69 6e74 733d 2231 3437 362e 3534   points=\"1476.54\n+00019c00: 2c2d 3130 3432 2e31 3320 3134 3636 2e30  ,-1042.13 1466.0\n+00019c10: 322c 2d31 3034 332e 3335 2031 3437 352c  2,-1043.35 1475,\n+00019c20: 2d31 3034 382e 3936 2031 3437 362e 3534  -1048.96 1476.54\n+00019c30: 2c2d 3130 3432 2e31 3322 2f3e 0a3c 2f67  ,-1042.13\"/>.</g\n+00019c40: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00019c50: 635f 6772 6f6d 6163 735f 676d 7861 6e61  c_gromacs_gmxana\n+00019c60: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00019c70: 7372 635f 6772 6f6d 6163 735f 6c69 7374  src_gromacs_list\n+00019c80: 6564 5f66 6f72 6365 7320 2d2d 3e0a 3c67  ed_forces -->.<g\n+00019c90: 2069 643d 2265 6467 6531 3831 2220 636c   id=\"edge181\" cl\n+00019ca0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00019cb0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00019cc0: 6f6d 6163 735f 676d 7861 6e61 2623 3435  omacs_gmxana&#45\n+00019cd0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00019ce0: 6772 6f6d 6163 735f 6c69 7374 6564 5f66  gromacs_listed_f\n+00019cf0: 6f72 6365 733c 2f74 6974 6c65 3e0a 3c70  orces</title>.<p\n+00019d00: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00019d10: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00019d20: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n+00019d30: 793d 2235 2c32 2220 643d 224d 3139 3439  y=\"5,2\" d=\"M1949\n+00019d40: 2e33 352c 2d31 3135 372e 3743 3138 3932  .35,-1157.7C1892\n+00019d50: 2e39 332c 2d31 3135 322e 3939 2031 3738  .93,-1152.99 178\n+00019d60: 352e 3133 2c2d 3131 3430 2e33 3920 3137  5.13,-1140.39 17\n+00019d70: 3632 2c2d 3131 3131 2e36 3620 3137 3139  62,-1111.66 1719\n+00019d80: 2e34 362c 2d31 3035 382e 3834 2031 3735  .46,-1058.84 175\n+00019d90: 312e 3736 2c2d 3130 3236 2e31 2031 3736  1.76,-1026.1 176\n+00019da0: 322c 2d39 3539 2e30 3520 3137 3834 2e35  2,-959.05 1784.5\n+00019db0: 382c 2d38 3131 2e32 3220 3137 3632 2e31  8,-811.22 1762.1\n+00019dc0: 312c 2d37 3334 2e30 3920 3138 3832 2c2d  1,-734.09 1882,-\n+00019dd0: 3634 342e 3720 3139 3631 2e34 332c 2d35  644.7 1961.43,-5\n+00019de0: 3835 2e34 3820 3230 3337 2e38 352c 2d36  85.48 2037.85,-6\n+00019df0: 3834 2e32 2032 3130 322c 2d36 3038 2e37  84.2 2102,-608.7\n+00019e00: 2032 3134 372e 3535 2c2d 3535 352e 3039   2147.55,-555.09\n+00019e10: 2032 3131 332e 3334 2c2d 3530 312e 3936   2113.34,-501.96\n+00019e20: 2032 3036 302c 2d34 3536 2e30 3920 3139   2060,-456.09 19\n+00019e30: 3231 2e39 322c 2d33 3337 2e33 3420 3138  21.92,-337.34 18\n+00019e40: 3438 2e38 322c 2d33 3634 2e38 3820 3136  48.82,-364.88 16\n+00019e50: 3730 2c2d 3333 302e 3335 2031 3437 342e  70,-330.35 1474.\n+00019e60: 3331 2c2d 3239 322e 3537 2031 3432 342e  31,-292.57 1424.\n+00019e70: 3332 2c2d 3238 372e 3231 2031 3232 362c  32,-287.21 1226,\n+00019e80: 2d32 3637 2e34 3820 3933 352e 3232 2c2d  -267.48 935.22,-\n+00019e90: 3233 382e 3535 2035 3835 2e38 392c 2d32  238.55 585.89,-2\n+00019ea0: 3235 2e32 3420 3434 372e 3631 2c2d 3232  25.24 447.61,-22\n+00019eb0: 302e 3832 222f 3e0a 3c70 6f6c 7967 6f6e  0.82\"/>.<polygon\n+00019ec0: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n+00019ed0: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00019ee0: 2070 6f69 6e74 733d 2234 3437 2e33 342c   points=\"447.34,\n+00019ef0: 2d32 3137 2e33 3120 3433 372e 3233 2c2d  -217.31 437.23,-\n+00019f00: 3232 302e 3439 2034 3437 2e31 322c 2d32  220.49 447.12,-2\n+00019f10: 3234 2e33 2034 3437 2e33 342c 2d32 3137  24.3 447.34,-217\n+00019f20: 2e33 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .31\"/>.</g>.<!--\n+00019f30: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00019f40: 6163 735f 676d 7861 6e61 2623 3435 3b26  acs_gmxana&#45;&\n+00019f50: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00019f60: 6f6d 6163 735f 6669 6c65 696f 202d 2d3e  omacs_fileio -->\n+00019f70: 0a3c 6720 6964 3d22 6564 6765 3137 3522  .<g id=\"edge175\"\n+00019f80: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00019f90: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00019fa0: 5f67 726f 6d61 6373 5f67 6d78 616e 6126  _gromacs_gmxana&\n+00019fb0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00019fc0: 7263 5f67 726f 6d61 6373 5f66 696c 6569  rc_gromacs_filei\n+00019fd0: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820  o</title>.<path \n+00019fe0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00019ff0: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n+0001a000: 4d32 3030 372e 3536 2c2d 3131 3531 2e30  M2007.56,-1151.0\n+0001a010: 3343 3230 3235 2e31 382c 2d31 3134 332e  3C2025.18,-1143.\n+0001a020: 3132 2032 3034 382e 3631 2c2d 3131 3330  12 2048.61,-1130\n+0001a030: 2e30 3220 3230 3633 2c2d 3131 3131 2e36  .02 2063,-1111.6\n+0001a040: 3620 3230 3834 2e36 372c 2d31 3038 342e  6 2084.67,-1084.\n+0001a050: 3031 2032 3038 372c 2d31 3037 312e 3438  01 2087,-1071.48\n+0001a060: 2032 3038 372c 2d31 3033 362e 3336 2032   2087,-1036.36 2\n+0001a070: 3038 372c 2d31 3033 362e 3336 2032 3038  087,-1036.36 208\n+0001a080: 372c 2d31 3033 362e 3336 2032 3038 372c  7,-1036.36 2087,\n+0001a090: 2d39 3731 2e34 3920 3230 3837 2c2d 3737  -971.49 2087,-77\n+0001a0a0: 302e 3235 2032 3233 372e 3037 2c2d 3636  0.25 2237.07,-66\n+0001a0b0: 382e 3133 2032 3130 322c 2d35 3138 2e39  8.13 2102,-518.9\n+0001a0c0: 3620 3230 3731 2e39 322c 2d34 3835 2e37  6 2071.92,-485.7\n+0001a0d0: 3420 3137 3630 2e36 362c 2d34 3734 2e33  4 1760.66,-474.3\n+0001a0e0: 3820 3136 3532 2e31 2c2d 3437 312e 3431  8 1652.1,-471.41\n+0001a0f0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+0001a100: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n+0001a110: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n+0001a120: 6e74 733d 2231 3635 322e 3034 2c2d 3436  nts=\"1652.04,-46\n+0001a130: 372e 3931 2031 3634 312e 3935 2c2d 3437  7.91 1641.95,-47\n+0001a140: 312e 3134 2031 3635 312e 3835 2c2d 3437  1.14 1651.85,-47\n+0001a150: 342e 3931 2031 3635 322e 3034 2c2d 3436  4.91 1652.04,-46\n+0001a160: 372e 3931 222f 3e0a 3c2f 673e 0a3c 212d  7.91\"/>.</g>.<!-\n+0001a170: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+0001a180: 6d61 6373 5f67 6d78 616e 6126 2334 353b  macs_gmxana&#45;\n+0001a190: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0001a1a0: 726f 6d61 6373 5f6d 646c 6962 202d 2d3e  romacs_mdlib -->\n+0001a1b0: 0a3c 6720 6964 3d22 6564 6765 3138 3222  .<g id=\"edge182\"\n+0001a1c0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+0001a1d0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+0001a1e0: 5f67 726f 6d61 6373 5f67 6d78 616e 6126  _gromacs_gmxana&\n+0001a1f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001a200: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n+0001a210: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+0001a220: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+0001a230: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n+0001a240: 3139 3839 2e30 312c 2d31 3134 372e 3539  1989.01,-1147.59\n+0001a250: 4331 3939 322e 3539 2c2d 3131 3337 2e39  C1992.59,-1137.9\n+0001a260: 3520 3139 3937 2e31 2c2d 3131 3234 2e31  5 1997.1,-1124.1\n+0001a270: 3920 3139 3939 2c2d 3131 3131 2e36 3620  9 1999,-1111.66 \n+0001a280: 3230 3030 2e37 392c 2d31 3039 392e 3835  2000.79,-1099.85\n+0001a290: 2031 3939 392e 3139 2c2d 3130 3936 2e37   1999.19,-1096.7\n+0001a2a0: 3320 3139 3939 2c2d 3130 3834 2e37 3920  3 1999,-1084.79 \n+0001a2b0: 3139 3938 2e35 362c 2d31 3035 362e 3834  1998.56,-1056.84\n+0001a2c0: 2031 3939 382e 3235 2c2d 3130 3439 2e38   1998.25,-1049.8\n+0001a2d0: 3520 3139 3937 2c2d 3130 3231 2e39 3220  5 1997,-1021.92 \n+0001a2e0: 3139 3933 2e35 342c 2d39 3434 2e34 3620  1993.54,-944.46 \n+0001a2f0: 3139 3837 2c2d 3932 352e 3238 2031 3938  1987,-925.28 198\n+0001a300: 372c 2d38 3437 2e37 3520 3139 3837 2c2d  7,-847.75 1987,-\n+0001a310: 3834 372e 3735 2031 3938 372c 2d38 3437  847.75 1987,-847\n+0001a320: 2e37 3520 3139 3837 2c2d 3738 322e 3838  .75 1987,-782.88\n+0001a330: 2031 3938 372c 2d36 3930 2e31 3120 3230   1987,-690.11 20\n+0001a340: 3734 2e37 312c 2d36 3937 2e33 3620 3231  74.71,-697.36 21\n+0001a350: 3032 2c2d 3630 382e 3720 3231 3133 2e37  02,-608.7 2113.7\n+0001a360: 332c 2d35 3730 2e35 3820 3231 3231 2e32  3,-570.58 2121.2\n+0001a370: 392c 2d35 3533 2e38 3720 3231 3032 2c2d  9,-553.87 2102,-\n+0001a380: 3531 382e 3936 2032 3030 372e 3232 2c2d  518.96 2007.22,-\n+0001a390: 3334 372e 3432 2031 3332 392c 2d32 3934  347.42 1329,-294\n+0001a3a0: 2e36 3720 3131 3539 2e33 382c 2d32 3834  .67 1159.38,-284\n+0001a3b0: 2e30 3922 2f3e 0a3c 706f 6c79 676f 6e20  .09\"/>.<polygon \n+0001a3c0: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n+0001a3d0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+0001a3e0: 706f 696e 7473 3d22 3131 3539 2e33 372c  points=\"1159.37,\n+0001a3f0: 2d32 3830 2e35 3820 3131 3439 2e31 382c  -280.58 1149.18,\n+0001a400: 2d32 3833 2e34 3720 3131 3538 2e39 352c  -283.47 1158.95,\n+0001a410: 2d32 3837 2e35 3720 3131 3539 2e33 372c  -287.57 1159.37,\n+0001a420: 2d32 3830 2e35 3822 2f3e 0a3c 2f67 3e0a  -280.58\"/>.</g>.\n+0001a430: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+0001a440: 6772 6f6d 6163 735f 676d 7861 6e61 2623  gromacs_gmxana&#\n+0001a450: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0001a460: 635f 6772 6f6d 6163 735f 636f 6d6d 616e  c_gromacs_comman\n+0001a470: 646c 696e 6520 2d2d 3e0a 3c67 2069 643d  dline -->.<g id=\n+0001a480: 2265 6467 6531 3733 2220 636c 6173 733d  \"edge173\" class=\n+0001a490: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+0001a4a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001a4b0: 735f 676d 7861 6e61 2623 3435 3b26 6774  s_gmxana&#45;&gt\n+0001a4c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0001a4d0: 6163 735f 636f 6d6d 616e 646c 696e 653c  acs_commandline<\n+0001a4e0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+0001a4f0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+0001a500: 3d22 626c 6163 6b22 2073 7472 6f6b 652d  =\"black\" stroke-\n+0001a510: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+0001a520: 643d 224d 3139 3534 2e31 372c 2d31 3135  d=\"M1954.17,-115\n+0001a530: 332e 3838 4331 3930 382e 3239 2c2d 3131  3.88C1908.29,-11\n+0001a540: 3432 2e34 3220 3138 3232 2e36 392c 2d31  42.42 1822.69,-1\n+0001a550: 3131 332e 3032 2031 3739 342c 2d31 3034  113.02 1794,-104\n+0001a560: 382e 3739 2031 3736 362e 3134 2c2d 3938  8.79 1766.14,-98\n+0001a570: 362e 3433 2031 3738 332e 392c 2d39 3538  6.43 1783.9,-958\n+0001a580: 2e34 3320 3138 3132 2c2d 3839 362e 3138  .43 1812,-896.18\n+0001a590: 2031 3835 322e 3032 2c2d 3830 372e 3533   1852.02,-807.53\n+0001a5a0: 2031 3835 372e 3332 2c2d 3737 392e 3331   1857.32,-779.31\n+0001a5b0: 2031 3932 332c 2d37 3037 2e35 3720 3139   1923,-707.57 19\n+0001a5c0: 3533 2e35 342c 2d36 3734 2e32 3220 3139  53.54,-674.22 19\n+0001a5d0: 3633 2e30 372c 2d36 3635 2e39 3220 3230  63.07,-665.92 20\n+0001a5e0: 3033 2c2d 3634 342e 3720 3230 3439 2e31  03,-644.7 2049.1\n+0001a5f0: 372c 2d36 3230 2e31 3620 3230 3733 2e30  7,-620.16 2073.0\n+0001a600: 392c 2d36 3339 2e39 3720 3231 3135 2c2d  9,-639.97 2115,-\n+0001a610: 3630 382e 3720 3231 3936 2e34 2c2d 3534  608.7 2196.4,-54\n+0001a620: 372e 3937 2032 3139 322e 3139 2c2d 3530  7.97 2192.19,-50\n+0001a630: 372e 3434 2032 3234 342c 2d34 3230 2e30  7.44 2244,-420.0\n+0001a640: 3920 3232 3933 2e36 392c 2d33 3336 2e33  9 2293.69,-336.3\n+0001a650: 3120 3233 3436 2e32 2c2d 3237 392e 3537  1 2346.2,-279.57\n+0001a660: 2032 3238 342c 2d32 3034 2e36 3120 3231   2284,-204.61 21\n+0001a670: 3837 2e32 362c 2d38 382e 3033 2032 3039  87.26,-88.03 209\n+0001a680: 392e 3433 2c2d 3135 392e 3538 2031 3934  9.43,-159.58 194\n+0001a690: 392c 2d31 3431 2e37 3420 3137 3734 2e35  9,-141.74 1774.5\n+0001a6a0: 392c 2d31 3231 2e30 3620 3132 3336 2e38  9,-121.06 1236.8\n+0001a6b0: 332c 2d31 3031 2e35 3420 3130 3533 2e37  3,-101.54 1053.7\n+0001a6c0: 372c 2d39 352e 3334 222f 3e0a 3c70 6f6c  7,-95.34\"/>.<pol\n+0001a6d0: 7967 6f6e 2066 696c 6c3d 2262 6c61 636b  ygon fill=\"black\n+0001a6e0: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n+0001a6f0: 2070 6f69 6e74 733d 2231 3035 332e 3632   points=\"1053.62\n+0001a700: 2c2d 3931 2e38 3320 3130 3433 2e35 312c  ,-91.83 1043.51,\n+0001a710: 2d39 342e 3939 2031 3035 332e 3339 2c2d  -94.99 1053.39,-\n+0001a720: 3938 2e38 3320 3130 3533 2e36 322c 2d39  98.83 1053.62,-9\n+0001a730: 312e 3833 222f 3e0a 3c2f 673e 0a3c 212d  1.83\"/>.</g>.<!-\n+0001a740: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+0001a750: 6d61 6373 5f67 6d78 616e 6126 2334 353b  macs_gmxana&#45;\n+0001a760: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0001a770: 726f 6d61 6373 5f6d 6473 7061 6e20 2d2d  romacs_mdspan --\n+0001a780: 3e0a 3c67 2069 643d 2265 6467 6531 3835  >.<g id=\"edge185\n+0001a790: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+0001a7a0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+0001a7b0: 635f 6772 6f6d 6163 735f 676d 7861 6e61  c_gromacs_gmxana\n+0001a7c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0001a7d0: 7372 635f 6772 6f6d 6163 735f 6d64 7370  src_gromacs_mdsp\n+0001a7e0: 616e 3c2f 7469 746c 653e 0a3c 7061 7468  an</title>.<path\n+0001a7f0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+0001a800: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n+0001a810: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+0001a820: 352c 3222 2064 3d22 4d31 3935 392e 352c  5,2\" d=\"M1959.5,\n+0001a830: 2d31 3135 312e 3332 4331 3933 392e 3133  -1151.32C1939.13\n+0001a840: 2c2d 3131 3433 2e32 2031 3931 302e 3134  ,-1143.2 1910.14\n+0001a850: 2c2d 3131 3239 2e36 3620 3138 3839 2c2d  ,-1129.66 1889,-\n+0001a860: 3131 3131 2e36 3620 3138 3238 2e37 2c2d  1111.66 1828.7,-\n+0001a870: 3130 3630 2e33 3220 3137 3736 2e39 352c  1060.32 1776.95,\n+0001a880: 2d31 3033 352e 3637 2031 3739 372c 2d39  -1035.67 1797,-9\n+0001a890: 3539 2e30 3520 3138 3033 2e30 392c 2d39  59.05 1803.09,-9\n+0001a8a0: 3335 2e37 3920 3138 3839 2e34 392c 2d37  35.79 1889.49,-7\n+0001a8b0: 3930 2e33 3320 3139 3033 2c2d 3737 302e  90.33 1903,-770.\n+0001a8c0: 3434 2031 3932 332e 3232 2c2d 3734 302e  44 1923.22,-740.\n+0001a8d0: 3638 2031 3932 362e 3132 2c2d 3733 302e  68 1926.12,-730.\n+0001a8e0: 3331 2031 3935 342c 2d37 3037 2e35 3720  31 1954,-707.57 \n+0001a8f0: 3230 3734 2e34 322c 2d36 3039 2e33 3420  2074.42,-609.34 \n+0001a900: 3231 3630 2e36 372c 2d36 3631 2e39 2032  2160.67,-661.9 2\n+0001a910: 3236 342c 2d35 3435 2e38 3320 3233 3439  264,-545.83 2349\n+0001a920: 2e30 372c 2d34 3530 2e32 3620 3233 3739  .07,-450.26 2379\n+0001a930: 2c2d 3430 392e 3836 2032 3337 392c 2d32  ,-409.86 2379,-2\n+0001a940: 3831 2e39 3220 3233 3739 2c2d 3238 312e  81.92 2379,-281.\n+0001a950: 3932 2032 3337 392c 2d32 3831 2e39 3220  92 2379,-281.92 \n+0001a960: 3233 3739 2c2d 3231 372e 3035 2032 3337  2379,-217.05 237\n+0001a970: 392c 2d31 3733 2e34 3820 3137 3037 2e30  9,-173.48 1707.0\n+0001a980: 332c 2d31 3132 2e36 3920 3135 3235 2e36  3,-112.69 1525.6\n+0001a990: 352c 2d39 372e 3038 222f 3e0a 3c70 6f6c  5,-97.08\"/>.<pol\n+0001a9a0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n+0001a9b0: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n+0001a9c0: 6663 6322 2070 6f69 6e74 733d 2231 3532  fcc\" points=\"152\n+0001a9d0: 352e 3932 2c2d 3933 2e35 3920 3135 3135  5.92,-93.59 1515\n+0001a9e0: 2e36 352c 2d39 362e 3232 2031 3532 352e  .65,-96.22 1525.\n+0001a9f0: 3332 2c2d 3130 302e 3536 2031 3532 352e  32,-100.56 1525.\n+0001aa00: 3932 2c2d 3933 2e35 3922 2f3e 0a3c 2f67  92,-93.59\"/>.</g\n+0001aa10: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+0001aa20: 635f 6772 6f6d 6163 735f 676d 7861 6e61  c_gromacs_gmxana\n+0001aa30: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0001aa40: 7372 635f 6772 6f6d 6163 735f 7374 6174  src_gromacs_stat\n+0001aa50: 6973 7469 6373 202d 2d3e 0a3c 6720 6964  istics -->.<g id\n+0001aa60: 3d22 6564 6765 3137 3622 2063 6c61 7373  =\"edge176\" class\n+0001aa70: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+0001aa80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001aa90: 6373 5f67 6d78 616e 6126 2334 353b 2667  cs_gmxana&#45;&g\n+0001aaa0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0001aab0: 6d61 6373 5f73 7461 7469 7374 6963 733c  macs_statistics<\n+0001aac0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+0001aad0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+0001aae0: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+0001aaf0: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n+0001ab00: 2220 643d 224d 3230 3035 2e34 372c 2d31  \" d=\"M2005.47,-1\n+0001ab10: 3135 302e 3239 4332 3032 302e 3834 2c2d  150.29C2020.84,-\n+0001ab20: 3131 3432 2e31 3420 3230 3430 2e37 342c  1142.14 2040.74,\n+0001ab30: 2d31 3132 392e 3036 2032 3035 322c 2d31  -1129.06 2052,-1\n+0001ab40: 3131 312e 3636 2032 3037 302e 3534 2c2d  111.66 2070.54,-\n+0001ab50: 3130 3833 2e30 3120 3230 3637 2c2d 3130  1083.01 2067,-10\n+0001ab60: 3730 2e34 3820 3230 3637 2c2d 3130 3336  70.48 2067,-1036\n+0001ab70: 2e33 3620 3230 3637 2c2d 3130 3336 2e33  .36 2067,-1036.3\n+0001ab80: 3620 3230 3637 2c2d 3130 3336 2e33 3620  6 2067,-1036.36 \n+0001ab90: 3230 3637 2c2d 3732 302e 3031 2032 3036  2067,-720.01 206\n+0001aba0: 372c 2d36 3835 2e38 3820 3230 3734 2e36  7,-685.88 2074.6\n+0001abb0: 382c 2d36 3730 2e32 2032 3035 322c 2d36  8,-670.2 2052,-6\n+0001abc0: 3434 2e37 2032 3031 372e 3533 2c2d 3630  44.7 2017.53,-60\n+0001abd0: 352e 3935 2031 3938 392e 3534 2c2d 3632  5.95 1989.54,-62\n+0001abe0: 362e 3937 2031 3934 312c 2d36 3038 2e37  6.97 1941,-608.7\n+0001abf0: 2031 3838 392e 3933 2c2d 3538 392e 3438   1889.93,-589.48\n+0001ac00: 2031 3833 322c 2d35 3633 2e37 3520 3137   1832,-563.75 17\n+0001ac10: 3937 2e32 362c 2d35 3437 2e38 3922 2f3e  97.26,-547.89\"/>\n+0001ac20: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+0001ac30: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n+0001ac40: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n+0001ac50: 3d22 3137 3938 2e36 352c 2d35 3434 2e36  =\"1798.65,-544.6\n+0001ac60: 3820 3137 3838 2e31 312c 2d35 3433 2e36  8 1788.11,-543.6\n+0001ac70: 3920 3137 3935 2e37 342c 2d35 3531 2e30  9 1795.74,-551.0\n+0001ac80: 3420 3137 3938 2e36 352c 2d35 3434 2e36  4 1798.65,-544.6\n+0001ac90: 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  8\"/>.</g>.<!-- m\n+0001aca0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001acb0: 735f 676d 7861 6e61 2623 3435 3b26 6774  s_gmxana&#45;&gt\n+0001acc0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0001acd0: 6163 735f 6666 7420 2d2d 3e0a 3c67 2069  acs_fft -->.<g i\n+0001ace0: 643d 2265 6467 6531 3833 2220 636c 6173  d=\"edge183\" clas\n+0001acf0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+0001ad00: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+0001ad10: 6163 735f 676d 7861 6e61 2623 3435 3b26  acs_gmxana&#45;&\n+0001ad20: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0001ad30: 6f6d 6163 735f 6666 743c 2f74 6974 6c65  omacs_fft</title\n+0001ad40: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+0001ad50: 6e65 2220 7374 726f 6b65 3d22 626c 6163  ne\" stroke=\"blac\n+0001ad60: 6b22 2073 7472 6f6b 652d 6461 7368 6172  k\" stroke-dashar\n+0001ad70: 7261 793d 2235 2c32 2220 643d 224d 3139  ray=\"5,2\" d=\"M19\n+0001ad80: 3837 2e30 362c 2d31 3134 372e 3531 4331  87.06,-1147.51C1\n+0001ad90: 3939 342e 3933 2c2d 3131 3131 2e37 3120  994.93,-1111.71 \n+0001ada0: 3230 3131 2e36 332c 2d31 3030 382e 3634  2011.63,-1008.64\n+0001adb0: 2031 3935 372c 2d39 3539 2e30 3520 3139   1957,-959.05 19\n+0001adc0: 3038 2e32 332c 2d39 3134 2e37 3920 3838  08.23,-914.79 88\n+0001add0: 332e 3738 2c2d 3931 302e 3936 2036 3734  3.78,-910.96 674\n+0001ade0: 2e32 342c 2d39 3130 2e36 3422 2f3e 0a3c  .24,-910.64\"/>.<\n+0001adf0: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c  polygon fill=\"bl\n+0001ae00: 6163 6b22 2073 7472 6f6b 653d 2262 6c61  ack\" stroke=\"bla\n+0001ae10: 636b 2220 706f 696e 7473 3d22 3637 342e  ck\" points=\"674.\n+0001ae20: 3036 2c2d 3930 372e 3134 2036 3634 2e30  06,-907.14 664.0\n+0001ae30: 362c 2d39 3130 2e36 3320 3637 342e 3035  6,-910.63 674.05\n+0001ae40: 2c2d 3931 342e 3134 2036 3734 2e30 362c  ,-914.14 674.06,\n+0001ae50: 2d39 3037 2e31 3422 2f3e 0a3c 2f67 3e0a  -907.14\"/>.</g>.\n+0001ae60: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+0001ae70: 6772 6f6d 6163 735f 676d 7861 6e61 2623  gromacs_gmxana&#\n+0001ae80: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0001ae90: 635f 6772 6f6d 6163 735f 7472 616a 6563  c_gromacs_trajec\n+0001aea0: 746f 7279 202d 2d3e 0a3c 6720 6964 3d22  tory -->.<g id=\"\n+0001aeb0: 6564 6765 3138 3022 2063 6c61 7373 3d22  edge180\" class=\"\n+0001aec0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+0001aed0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001aee0: 5f67 6d78 616e 6126 2334 353b 2667 743b  _gmxana&#45;&gt;\n+0001aef0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001af00: 6373 5f74 7261 6a65 6374 6f72 793c 2f74  cs_trajectory</t\n+0001af10: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+0001af20: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+0001af30: 2362 6662 6662 6622 2064 3d22 4d32 3031  #bfbfbf\" d=\"M201\n+0001af40: 302e 3932 2c2d 3131 3532 2e32 3943 3230  0.92,-1152.29C20\n+0001af50: 3337 2e34 392c 2d31 3134 342e 3035 2032  37.49,-1144.05 2\n+0001af60: 3037 382e 3833 2c2d 3131 3239 2e37 3420  078.83,-1129.74 \n+0001af70: 3231 3132 2c2d 3131 3131 2e36 3620 3232  2112,-1111.66 22\n+0001af80: 3032 2e37 332c 2d31 3036 322e 3220 3232  02.73,-1062.2 22\n+0001af90: 3939 2c2d 3130 3736 2e38 3220 3232 3939  99,-1076.82 2299\n+0001afa0: 2c2d 3937 332e 3439 2032 3239 392c 2d39  ,-973.49 2299,-9\n+0001afb0: 3733 2e34 3920 3232 3939 2c2d 3937 332e  73.49 2299,-973.\n+0001afc0: 3439 2032 3239 392c 2d37 3832 2e38 3820  49 2299,-782.88 \n+0001afd0: 3232 3939 2c2d 3534 392e 3935 2032 3339  2299,-549.95 239\n+0001afe0: 302e 3039 2c2d 3430 372e 3536 2032 3230  0.09,-407.56 220\n+0001aff0: 342c 2d32 3637 2e34 3820 3231 3636 2e39  4,-267.48 2166.9\n+0001b000: 2c2d 3233 392e 3535 2032 3033 362e 3336  ,-239.55 2036.36\n+0001b010: 2c2d 3232 362e 3839 2031 3936 332e 3336  ,-226.89 1963.36\n+0001b020: 2c2d 3232 312e 3838 222f 3e0a 3c70 6f6c  ,-221.88\"/>.<pol\n+0001b030: 7967 6f6e 2066 696c 6c3d 2223 6266 6266  ygon fill=\"#bfbf\n+0001b040: 6266 2220 7374 726f 6b65 3d22 2362 6662  bf\" stroke=\"#bfb\n+0001b050: 6662 6622 2070 6f69 6e74 733d 2231 3936  fbf\" points=\"196\n+0001b060: 332e 3233 2c2d 3231 382e 3336 2031 3935  3.23,-218.36 195\n+0001b070: 332e 3032 2c2d 3232 312e 3139 2031 3936  3.02,-221.19 196\n+0001b080: 322e 3737 2c2d 3232 352e 3334 2031 3936  2.77,-225.34 196\n+0001b090: 332e 3233 2c2d 3231 382e 3336 222f 3e0a  3.23,-218.36\"/>.\n+0001b0a0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+0001b0b0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n+0001b0c0: 616e 6126 2334 353b 2667 743b 6d6f 6475  ana&#45;&gt;modu\n+0001b0d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61  le_src_gromacs_a\n+0001b0e0: 7070 6c69 6564 5f66 6f72 6365 735f 6177  pplied_forces_aw\n+0001b0f0: 6820 2d2d 3e0a 3c67 2069 643d 2265 6467  h -->.<g id=\"edg\n+0001b100: 6531 3739 2220 636c 6173 733d 2265 6467  e179\" class=\"edg\n+0001b110: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+0001b120: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+0001b130: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64  xana&#45;&gt;mod\n+0001b140: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001b150: 6170 706c 6965 645f 666f 7263 6573 5f61  applied_forces_a\n+0001b160: 7768 3c2f 7469 746c 653e 0a3c 7061 7468  wh</title>.<path\n+0001b170: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+0001b180: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n+0001b190: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+0001b1a0: 352c 3222 2064 3d22 4d31 3939 392e 3338  5,2\" d=\"M1999.38\n+0001b1b0: 2c2d 3131 3438 2e36 3743 3230 3130 2e32  ,-1148.67C2010.2\n+0001b1c0: 2c2d 3131 3339 2e37 3820 3230 3234 2e31  ,-1139.78 2024.1\n+0001b1d0: 312c 2d31 3132 362e 3520 3230 3332 2c2d  1,-1126.5 2032,-\n+0001b1e0: 3131 3131 2e36 3620 3230 3438 2e30 322c  1111.66 2048.02,\n+0001b1f0: 2d31 3038 312e 3533 2032 3034 372c 2d31  -1081.53 2047,-1\n+0001b200: 3037 302e 3438 2032 3034 372c 2d31 3033  070.48 2047,-103\n+0001b210: 362e 3336 2032 3034 372c 2d31 3033 362e  6.36 2047,-1036.\n+0001b220: 3336 2032 3034 372c 2d31 3033 362e 3336  36 2047,-1036.36\n+0001b230: 2032 3034 372c 2d37 3230 2e30 3120 3230   2047,-720.01 20\n+0001b240: 3437 2c2d 3638 332e 3120 3230 3430 2e34  47,-683.1 2040.4\n+0001b250: 2c2d 3636 382e 3237 2032 3031 322c 2d36  ,-668.27 2012,-6\n+0001b260: 3434 2e37 2031 3936 322e 3234 2c2d 3630  44.7 1962.24,-60\n+0001b270: 332e 3339 2031 3933 332e 312c 2d36 3236  3.39 1933.1,-626\n+0001b280: 2e37 3720 3138 3731 2c2d 3630 382e 3720  .77 1871,-608.7 \n+0001b290: 3137 3938 2e39 352c 2d35 3837 2e37 3320  1798.95,-587.73 \n+0001b2a0: 3137 3135 2e34 392c 2d35 3539 2e33 3720  1715.49,-559.37 \n+0001b2b0: 3136 3731 2e36 312c 2d35 3434 2e31 3422  1671.61,-544.14\"\n+0001b2c0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+0001b2d0: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+0001b2e0: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n+0001b2f0: 7473 3d22 3136 3732 2e36 392c 2d35 3430  ts=\"1672.69,-540\n+0001b300: 2e38 3120 3136 3632 2e31 2c2d 3534 302e  .81 1662.1,-540.\n+0001b310: 3833 2031 3637 302e 3339 2c2d 3534 372e  83 1670.39,-547.\n+0001b320: 3432 2031 3637 322e 3639 2c2d 3534 302e  42 1672.69,-540.\n+0001b330: 3831 222f 3e0a 3c2f 673e 0a3c 212d 2d20  81\"/>.</g>.<!-- \n+0001b340: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001b350: 6373 5f61 6e61 6c79 7369 7364 6174 6126  cs_analysisdata&\n+0001b360: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001b370: 7263 5f67 726f 6d61 6373 5f66 696c 6569  rc_gromacs_filei\n+0001b380: 6f20 2d2d 3e0a 3c67 2069 643d 2265 6467  o -->.<g id=\"edg\n+0001b390: 6531 3836 2220 636c 6173 733d 2265 6467  e186\" class=\"edg\n+0001b3a0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+0001b3b0: 655f 7372 635f 6772 6f6d 6163 735f 616e  e_src_gromacs_an\n+0001b3c0: 616c 7973 6973 6461 7461 2623 3435 3b26  alysisdata&#45;&\n+0001b3d0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0001b3e0: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469  omacs_fileio</ti\n+0001b3f0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+0001b400: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+0001b410: 6266 6266 6266 2220 643d 224d 3138 3337  bfbfbf\" d=\"M1837\n+0001b420: 2e39 392c 2d35 3232 2e39 3343 3137 3837  .99,-522.93C1787\n+0001b430: 2e37 372c 2d35 3131 2e31 3320 3136 3937  .77,-511.13 1697\n+0001b440: 2e33 382c 2d34 3839 2e38 3920 3136 3438  .38,-489.89 1648\n+0001b450: 2e35 332c 2d34 3738 2e34 3122 2f3e 0a3c  .53,-478.41\"/>.<\n+0001b460: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n+0001b470: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n+0001b480: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n+0001b490: 3136 3439 2e33 2c2d 3437 342e 3939 2031  1649.3,-474.99 1\n+0001b4a0: 3633 382e 3736 2c2d 3437 362e 3131 2031  638.76,-476.11 1\n+0001b4b0: 3634 372e 372c 2d34 3831 2e38 3120 3136  647.7,-481.81 16\n+0001b4c0: 3439 2e33 2c2d 3437 342e 3939 222f 3e0a  49.3,-474.99\"/>.\n+0001b4d0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+0001b4e0: 5f73 7263 5f67 726f 6d61 6373 5f6d 696d  _src_gromacs_mim\n+0001b4f0: 6963 202d 2d3e 0a3c 6720 6964 3d22 6e6f  ic -->.<g id=\"no\n+0001b500: 6465 3338 2220 636c 6173 733d 226e 6f64  de38\" class=\"nod\n+0001b510: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+0001b520: 655f 7372 635f 6772 6f6d 6163 735f 6d69  e_src_gromacs_mi\n+0001b530: 6d69 633c 2f74 6974 6c65 3e0a 3c65 6c6c  mic</title>.<ell\n+0001b540: 6970 7365 2066 696c 6c3d 2223 6266 6266  ipse fill=\"#bfbf\n+0001b550: 6266 2220 7374 726f 6b65 3d22 626c 6163  bf\" stroke=\"blac\n+0001b560: 6b22 2063 783d 2231 3038 3622 2063 793d  k\" cx=\"1086\" cy=\n+0001b570: 222d 3436 392e 3533 2220 7278 3d22 3330  \"-469.53\" rx=\"30\n+0001b580: 2e33 3122 2072 793d 2231 332e 3337 222f  .31\" ry=\"13.37\"/\n+0001b590: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63  >.<text text-anc\n+0001b5a0: 686f 723d 226d 6964 646c 6522 2078 3d22  hor=\"middle\" x=\"\n+0001b5b0: 3130 3836 2220 793d 222d 3436 372e 3033  1086\" y=\"-467.03\n+0001b5c0: 2220 666f 6e74 2d66 616d 696c 793d 2246  \" font-family=\"F\n+0001b5d0: 7265 6553 616e 7322 2066 6f6e 742d 7369  reeSans\" font-si\n+0001b5e0: 7a65 3d22 3130 2e30 3022 3e6d 696d 6963  ze=\"10.00\">mimic\n+0001b5f0: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d  </text>.</g>.<!-\n+0001b600: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+0001b610: 6d61 6373 5f6d 696d 6963 2623 3435 3b26  macs_mimic&#45;&\n+0001b620: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0001b630: 6f6d 6163 735f 6d64 6c69 6220 2d2d 3e0a  omacs_mdlib -->.\n+0001b640: 3c67 2069 643d 2265 6467 6531 3837 2220  <g id=\"edge187\" \n+0001b650: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+0001b660: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+0001b670: 6772 6f6d 6163 735f 6d69 6d69 6326 2334  gromacs_mimic&#4\n+0001b680: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0001b690: 5f67 726f 6d61 6373 5f6d 646c 6962 3c2f  _gromacs_mdlib</\n+0001b6a0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+0001b6b0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+0001b6c0: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+0001b6d0: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+0001b6e0: 2064 3d22 4d31 3039 332e 3336 2c2d 3435   d=\"M1093.36,-45\n+0001b6f0: 362e 3431 4331 3130 342e 3935 2c2d 3433  6.41C1104.95,-43\n+0001b700: 362e 3535 2031 3132 362e 3936 2c2d 3339  6.55 1126.96,-39\n+0001b710: 352e 3434 2031 3133 352c 2d33 3537 2e32  5.44 1135,-357.2\n+0001b720: 3220 3131 3338 2e37 382c 2d33 3339 2e32  2 1138.78,-339.2\n+0001b730: 3520 3131 3334 2e34 312c 2d33 3138 2e37  5 1134.41,-318.7\n+0001b740: 3520 3131 3239 2e35 382c 2d33 3033 2e36  5 1129.58,-303.6\n+0001b750: 3822 2f3e 0a3c 706f 6c79 676f 6e20 6669  8\"/>.<polygon fi\n+0001b760: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n+0001b770: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n+0001b780: 696e 7473 3d22 3131 3332 2e38 372c 2d33  ints=\"1132.87,-3\n+0001b790: 3032 2e34 3920 3131 3236 2e32 352c 2d32  02.49 1126.25,-2\n+0001b7a0: 3934 2e32 3120 3131 3236 2e32 362c 2d33  94.21 1126.26,-3\n+0001b7b0: 3034 2e38 3120 3131 3332 2e38 372c 2d33  04.81 1132.87,-3\n+0001b7c0: 3032 2e34 3922 2f3e 0a3c 2f67 3e0a 3c21  02.49\"/>.</g>.<!\n+0001b7d0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+0001b7e0: 6f6d 6163 735f 7461 736b 6173 7369 676e  omacs_taskassign\n+0001b7f0: 6d65 6e74 2623 3435 3b26 6774 3b6d 6f64  ment&#45;&gt;mod\n+0001b800: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001b810: 676d 786c 6962 202d 2d3e 0a3c 6720 6964  gmxlib -->.<g id\n+0001b820: 3d22 6564 6765 3139 3422 2063 6c61 7373  =\"edge194\" class\n+0001b830: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+0001b840: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001b850: 6373 5f74 6173 6b61 7373 6967 6e6d 656e  cs_taskassignmen\n+0001b860: 7426 2334 353b 2667 743b 6d6f 6475 6c65  t&#45;&gt;module\n+0001b870: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n+0001b880: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174  lib</title>.<pat\n+0001b890: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+0001b8a0: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n+0001b8b0: 3d22 4d35 3735 2e39 392c 2d33 3537 2e33  =\"M575.99,-357.3\n+0001b8c0: 3843 3537 352e 3032 2c2d 3337 322e 3339  8C575.02,-372.39\n+0001b8d0: 2035 3734 2e30 392c 2d33 3938 2e31 3920   574.09,-398.19 \n+0001b8e0: 3537 372c 2d34 3230 2e30 3920 3538 302e  577,-420.09 580.\n+0001b8f0: 3831 2c2d 3434 382e 3738 2035 3833 2e31  81,-448.78 583.1\n+0001b900: 352c 2d34 3536 2e31 3320 3539 342c 2d34  5,-456.13 594,-4\n+0001b910: 3832 2e39 3620 3633 362e 3735 2c2d 3538  82.96 636.75,-58\n+0001b920: 382e 3637 2036 3737 2e35 382c 2d36 3030  8.67 677.58,-600\n+0001b930: 2e39 3420 3731 382c 2d37 3037 2e35 3720  .94 718,-707.57 \n+0001b940: 3735 302e 3435 2c2d 3739 332e 3139 2037  750.45,-793.19 7\n+0001b950: 3633 2c2d 3831 372e 3035 2037 3633 2c2d  63,-817.05 763,-\n+0001b960: 3930 382e 3632 2037 3633 2c2d 3937 332e  908.62 763,-973.\n+0001b970: 3439 2037 3633 2c2d 3937 332e 3439 2037  49 763,-973.49 7\n+0001b980: 3633 2c2d 3937 332e 3439 2037 3633 2c2d  63,-973.49 763,-\n+0001b990: 3130 3130 2e30 3320 3736 372e 3638 2c2d  1010.03 767.68,-\n+0001b9a0: 3130 3235 2e37 2037 3936 2c2d 3130 3438  1025.7 796,-1048\n+0001b9b0: 2e37 3920 3832 342e 3038 2c2d 3130 3731  .79 824.08,-1071\n+0001b9c0: 2e36 3820 3932 342e 372c 2d31 3038 362e  .68 924.7,-1086.\n+0001b9d0: 3331 2039 3832 2e31 312c 2d31 3039 322e  31 982.11,-1092.\n+0001b9e0: 3939 222f 3e0a 3c70 6f6c 7967 6f6e 2066  99\"/>.<polygon f\n+0001b9f0: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n+0001ba00: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n+0001ba10: 6f69 6e74 733d 2239 3831 2e39 372c 2d31  oints=\"981.97,-1\n+0001ba20: 3039 362e 3520 3939 322e 332c 2d31 3039  096.5 992.3,-109\n+0001ba30: 342e 3135 2039 3832 2e37 362c 2d31 3038  4.15 982.76,-108\n+0001ba40: 392e 3534 2039 3831 2e39 372c 2d31 3039  9.54 981.97,-109\n+0001ba50: 362e 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d  6.5\"/>.</g>.<!--\n+0001ba60: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+0001ba70: 6163 735f 7461 736b 6173 7369 676e 6d65  acs_taskassignme\n+0001ba80: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c  nt&#45;&gt;modul\n+0001ba90: 655f 7372 635f 6772 6f6d 6163 735f 6861  e_src_gromacs_ha\n+0001baa0: 7264 7761 7265 202d 2d3e 0a3c 6720 6964  rdware -->.<g id\n+0001bab0: 3d22 6564 6765 3138 3922 2063 6c61 7373  =\"edge189\" class\n+0001bac0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+0001bad0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001bae0: 6373 5f74 6173 6b61 7373 6967 6e6d 656e  cs_taskassignmen\n+0001baf0: 7426 2334 353b 2667 743b 6d6f 6475 6c65  t&#45;&gt;module\n+0001bb00: 5f73 7263 5f67 726f 6d61 6373 5f68 6172  _src_gromacs_har\n+0001bb10: 6477 6172 653c 2f74 6974 6c65 3e0a 3c70  dware</title>.<p\n+0001bb20: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+0001bb30: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+0001bb40: 2064 3d22 4d35 3536 2e33 352c 2d33 3536   d=\"M556.35,-356\n+0001bb50: 2e35 3343 3534 322e 3239 2c2d 3336 352e  .53C542.29,-365.\n+0001bb60: 3320 3532 332e 3934 2c2d 3337 382e 3239  3 523.94,-378.29\n+0001bb70: 2035 3131 2c2d 3339 332e 3232 2034 3037   511,-393.22 407\n+0001bb80: 2e32 332c 2d35 3132 2e39 3120 3338 312e  .23,-512.91 381.\n+0001bb90: 3439 2c2d 3535 332e 3920 3334 332c 2d37  49,-553.9 343,-7\n+0001bba0: 3037 2e35 3720 3332 392e 3932 2c2d 3735  07.57 329.92,-75\n+0001bbb0: 392e 3820 3338 362e 3339 2c2d 3830 362e  9.8 386.39,-806.\n+0001bbc0: 3032 2034 3232 2e32 372c 2d38 3239 2e34  02 422.27,-829.4\n+0001bbd0: 3622 2f3e 0a3c 706f 6c79 676f 6e20 6669  6\"/>.<polygon fi\n+0001bbe0: 6c6c 3d22 2362 6662 6662 6622 2073 7472  ll=\"#bfbfbf\" str\n+0001bbf0: 6f6b 653d 2223 6266 6266 6266 2220 706f  oke=\"#bfbfbf\" po\n+0001bc00: 696e 7473 3d22 3432 302e 3538 2c2d 3833  ints=\"420.58,-83\n+0001bc10: 322e 3533 2034 3330 2e39 2c2d 3833 342e  2.53 430.9,-834.\n+0001bc20: 3932 2034 3234 2e33 322c 2d38 3236 2e36  92 424.32,-826.6\n+0001bc30: 3120 3432 302e 3538 2c2d 3833 322e 3533  1 420.58,-832.53\n+0001bc40: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+0001bc50: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001bc60: 5f74 6173 6b61 7373 6967 6e6d 656e 7426  _taskassignment&\n+0001bc70: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001bc80: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n+0001bc90: 6573 202d 2d3e 0a3c 6720 6964 3d22 6564  es -->.<g id=\"ed\n+0001bca0: 6765 3139 3222 2063 6c61 7373 3d22 6564  ge192\" class=\"ed\n+0001bcb0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+0001bcc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n+0001bcd0: 6173 6b61 7373 6967 6e6d 656e 7426 2334  askassignment&#4\n+0001bce0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0001bcf0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573  _gromacs_mdtypes\n+0001bd00: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+0001bd10: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+0001bd20: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n+0001bd30: 3633 372e 362c 2d33 3435 2e33 3343 3833  637.6,-345.33C83\n+0001bd40: 302e 312c 2d33 3438 2e36 3920 3134 3135  0.1,-348.69 1415\n+0001bd50: 2c2d 3337 322e 3031 2031 3431 352c 2d35  ,-372.01 1415,-5\n+0001bd60: 3331 2e34 2031 3431 352c 2d39 3130 2e36  31.4 1415,-910.6\n+0001bd70: 3220 3134 3135 2c2d 3931 302e 3632 2031  2 1415,-910.62 1\n+0001bd80: 3431 352c 2d39 3130 2e36 3220 3134 3135  415,-910.62 1415\n+0001bd90: 2c2d 3934 362e 3434 2031 3432 332e 3237  ,-946.44 1423.27\n+0001bda0: 2c2d 3938 372e 3337 2031 3432 392e 3138  ,-987.37 1429.18\n+0001bdb0: 2c2d 3130 3132 2e30 3122 2f3e 0a3c 706f  ,-1012.01\"/>.<po\n+0001bdc0: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n+0001bdd0: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n+0001bde0: 6266 6266 2220 706f 696e 7473 3d22 3134  bfbf\" points=\"14\n+0001bdf0: 3235 2e38 2c2d 3130 3132 2e39 3520 3134  25.8,-1012.95 14\n+0001be00: 3331 2e36 312c 2d31 3032 312e 3832 2031  31.61,-1021.82 1\n+0001be10: 3433 322e 362c 2d31 3031 312e 3237 2031  432.6,-1011.27 1\n+0001be20: 3432 352e 382c 2d31 3031 322e 3935 222f  425.8,-1012.95\"/\n+0001be30: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+0001be40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n+0001be50: 6173 6b61 7373 6967 6e6d 656e 7426 2334  askassignment&#4\n+0001be60: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0001be70: 5f67 726f 6d61 6373 5f6c 6973 7465 645f  _gromacs_listed_\n+0001be80: 666f 7263 6573 202d 2d3e 0a3c 6720 6964  forces -->.<g id\n+0001be90: 3d22 6564 6765 3139 3022 2063 6c61 7373  =\"edge190\" class\n+0001bea0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+0001beb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001bec0: 6373 5f74 6173 6b61 7373 6967 6e6d 656e  cs_taskassignmen\n+0001bed0: 7426 2334 353b 2667 743b 6d6f 6475 6c65  t&#45;&gt;module\n+0001bee0: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973  _src_gromacs_lis\n+0001bef0: 7465 645f 666f 7263 6573 3c2f 7469 746c  ted_forces</titl\n+0001bf00: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+0001bf10: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n+0001bf20: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n+0001bf30: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n+0001bf40: 4d35 3538 2e37 382c 2d33 3330 2e39 3243  M558.78,-330.92C\n+0001bf50: 3532 352e 3037 2c2d 3330 382e 3937 2034  525.07,-308.97 4\n+0001bf60: 3532 2e38 352c 2d32 3631 2e39 3320 3431  52.85,-261.93 41\n+0001bf70: 332e 3634 2c2d 3233 362e 3422 2f3e 0a3c  3.64,-236.4\"/>.<\n+0001bf80: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n+0001bf90: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n+0001bfa0: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n+0001bfb0: 3431 352e 3138 2c2d 3233 332e 3232 2034  415.18,-233.22 4\n+0001bfc0: 3034 2e38 392c 2d32 3330 2e36 3920 3431  04.89,-230.69 41\n+0001bfd0: 312e 3335 2c2d 3233 392e 3038 2034 3135  1.35,-239.08 415\n+0001bfe0: 2e31 382c 2d32 3333 2e32 3222 2f3e 0a3c  .18,-233.22\"/>.<\n+0001bff0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+0001c000: 7372 635f 6772 6f6d 6163 735f 7461 736b  src_gromacs_task\n+0001c010: 6173 7369 676e 6d65 6e74 2623 3435 3b26  assignment&#45;&\n+0001c020: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0001c030: 6f6d 6163 735f 6573 7365 6e74 6961 6c64  omacs_essentiald\n+0001c040: 796e 616d 6963 7320 2d2d 3e0a 3c67 2069  ynamics -->.<g i\n+0001c050: 643d 2265 6467 6531 3936 2220 636c 6173  d=\"edge196\" clas\n+0001c060: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+0001c070: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+0001c080: 6163 735f 7461 736b 6173 7369 676e 6d65  acs_taskassignme\n+0001c090: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c  nt&#45;&gt;modul\n+0001c0a0: 655f 7372 635f 6772 6f6d 6163 735f 6573  e_src_gromacs_es\n+0001c0b0: 7365 6e74 6961 6c64 796e 616d 6963 733c  sentialdynamics<\n+0001c0c0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+0001c0d0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+0001c0e0: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+0001c0f0: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n+0001c100: 2220 643d 224d 3630 392e 3036 2c2d 3333  \" d=\"M609.06,-33\n+0001c110: 322e 3234 4336 3736 2e37 2c2d 3330 392e  2.24C676.7,-309.\n+0001c120: 3937 2038 3334 2e30 352c 2d32 3538 2e31  97 834.05,-258.1\n+0001c130: 3920 3931 302e 322c 2d32 3333 2e31 3322  9 910.2,-233.13\"\n+0001c140: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+0001c150: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+0001c160: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n+0001c170: 7473 3d22 3931 312e 3535 2c2d 3233 362e  ts=\"911.55,-236.\n+0001c180: 3337 2039 3139 2e39 352c 2d32 3239 2e39  37 919.95,-229.9\n+0001c190: 3220 3930 392e 3336 2c2d 3232 392e 3732  2 909.36,-229.72\n+0001c1a0: 2039 3131 2e35 352c 2d32 3336 2e33 3722   911.55,-236.37\"\n+0001c1b0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+0001c1c0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001c1d0: 7461 736b 6173 7369 676e 6d65 6e74 2623  taskassignment&#\n+0001c1e0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0001c1f0: 635f 6772 6f6d 6163 735f 6577 616c 6420  c_gromacs_ewald \n+0001c200: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+0001c210: 3838 2220 636c 6173 733d 2265 6467 6522  88\" class=\"edge\"\n+0001c220: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+0001c230: 7372 635f 6772 6f6d 6163 735f 7461 736b  src_gromacs_task\n+0001c240: 6173 7369 676e 6d65 6e74 2623 3435 3b26  assignment&#45;&\n+0001c250: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0001c260: 6f6d 6163 735f 6577 616c 643c 2f74 6974  omacs_ewald</tit\n+0001c270: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+0001c280: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n+0001c290: 3832 6663 6322 2064 3d22 4d35 3439 2e30  82fcc\" d=\"M549.0\n+0001c2a0: 322c 2d33 3535 2e38 3643 3532 392e 3738  2,-355.86C529.78\n+0001c2b0: 2c2d 3336 342e 3331 2035 3034 2e33 322c  ,-364.31 504.32,\n+0001c2c0: 2d33 3737 2e32 3220 3438 352c 2d33 3933  -377.22 485,-393\n+0001c2d0: 2e32 3220 3334 392e 3432 2c2d 3530 352e  .22 349.42,-505.\n+0001c2e0: 3532 2033 3135 2e36 342c 2d35 3436 2e37  52 315.64,-546.7\n+0001c2f0: 3620 3234 342c 2d37 3037 2e35 3720 3230  6 244,-707.57 20\n+0001c300: 342e 372c 2d37 3935 2e37 3920 3230 342e  4.7,-795.79 204.\n+0001c310: 3635 2c2d 3835 332e 3834 2032 3732 2c2d  65,-853.84 272,-\n+0001c320: 3932 332e 3035 2032 3938 2e36 362c 2d39  923.05 298.66,-9\n+0001c330: 3530 2e34 3520 3334 312e 3632 2c2d 3936  50.45 341.62,-96\n+0001c340: 322e 3337 2033 3732 2e37 342c 2d39 3637  2.37 372.74,-967\n+0001c350: 2e35 3422 2f3e 0a3c 706f 6c79 676f 6e20  .54\"/>.<polygon \n+0001c360: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n+0001c370: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+0001c380: 706f 696e 7473 3d22 3337 322e 3338 2c2d  points=\"372.38,-\n+0001c390: 3937 312e 3032 2033 3832 2e37 392c 2d39  971.02 382.79,-9\n+0001c3a0: 3639 2e30 3520 3337 332e 3432 2c2d 3936  69.05 373.42,-96\n+0001c3b0: 342e 3120 3337 322e 3338 2c2d 3937 312e  4.1 372.38,-971.\n+0001c3c0: 3032 222f 3e0a 3c2f 673e 0a3c 212d 2d20  02\"/>.</g>.<!-- \n+0001c3d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001c3e0: 6373 5f74 6173 6b61 7373 6967 6e6d 656e  cs_taskassignmen\n+0001c3f0: 7426 2334 353b 2667 743b 6d6f 6475 6c65  t&#45;&gt;module\n+0001c400: 5f73 7263 5f67 726f 6d61 6373 5f67 7075  _src_gromacs_gpu\n+0001c410: 5f75 7469 6c73 202d 2d3e 0a3c 6720 6964  _utils -->.<g id\n+0001c420: 3d22 6564 6765 3139 3722 2063 6c61 7373  =\"edge197\" class\n+0001c430: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+0001c440: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001c450: 6373 5f74 6173 6b61 7373 6967 6e6d 656e  cs_taskassignmen\n+0001c460: 7426 2334 353b 2667 743b 6d6f 6475 6c65  t&#45;&gt;module\n+0001c470: 5f73 7263 5f67 726f 6d61 6373 5f67 7075  _src_gromacs_gpu\n+0001c480: 5f75 7469 6c73 3c2f 7469 746c 653e 0a3c  _utils</title>.<\n+0001c490: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+0001c4a0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+0001c4b0: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+0001c4c0: 6179 3d22 352c 3222 2064 3d22 4d35 3638  ay=\"5,2\" d=\"M568\n+0001c4d0: 2e34 332c 2d33 3537 2e32 3843 3536 322e  .43,-357.28C562.\n+0001c4e0: 3532 2c2d 3336 362e 3639 2035 3535 2e31  52,-366.69 555.1\n+0001c4f0: 372c 2d33 3830 2e31 3620 3535 322c 2d33  7,-380.16 552,-3\n+0001c500: 3933 2e32 3220 3533 352e 3939 2c2d 3435  93.22 535.99,-45\n+0001c510: 392e 3133 2035 3333 2e37 332c 2d34 3830  9.13 533.73,-480\n+0001c520: 2e35 3120 3535 322c 2d35 3435 2e38 3320  .51 552,-545.83 \n+0001c530: 3536 352e 3835 2c2d 3539 352e 3333 2035  565.85,-595.33 5\n+0001c540: 3931 2e39 382c 2d35 3937 2e33 3620 3631  91.98,-597.36 61\n+0001c550: 322c 2d36 3434 2e37 2036 3238 2e35 342c  2,-644.7 628.54,\n+0001c560: 2d36 3833 2e38 2036 3339 2e30 362c 2d37  -683.8 639.06,-7\n+0001c570: 3332 2e34 3320 3634 342e 3231 2c2d 3736  32.43 644.21,-76\n+0001c580: 302e 3333 222f 3e0a 3c70 6f6c 7967 6f6e  0.33\"/>.<polygon\n+0001c590: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n+0001c5a0: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+0001c5b0: 2070 6f69 6e74 733d 2236 3430 2e37 392c   points=\"640.79,\n+0001c5c0: 2d37 3631 2e30 3520 3634 352e 3938 2c2d  -761.05 645.98,-\n+0001c5d0: 3737 302e 3238 2036 3437 2e36 382c 2d37  770.28 647.68,-7\n+0001c5e0: 3539 2e38 3220 3634 302e 3739 2c2d 3736  59.82 640.79,-76\n+0001c5f0: 312e 3035 222f 3e0a 3c2f 673e 0a3c 212d  1.05\"/>.</g>.<!-\n+0001c600: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+0001c610: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d  macs_taskassignm\n+0001c620: 656e 7426 2334 353b 2667 743b 6d6f 6475  ent&#45;&gt;modu\n+0001c630: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+0001c640: 646c 6962 202d 2d3e 0a3c 6720 6964 3d22  dlib -->.<g id=\"\n+0001c650: 6564 6765 3139 3122 2063 6c61 7373 3d22  edge191\" class=\"\n+0001c660: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+0001c670: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001c680: 5f74 6173 6b61 7373 6967 6e6d 656e 7426  _taskassignment&\n+0001c690: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001c6a0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n+0001c6b0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+0001c6c0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+0001c6d0: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n+0001c6e0: 3633 312e 312c 2d33 3337 2e35 3243 3731  631.1,-337.52C71\n+0001c6f0: 362e 3131 2c2d 3332 392e 3132 2038 3836  6.11,-329.12 886\n+0001c700: 2e31 322c 2d33 3131 2e38 3720 3130 3330  .12,-311.87 1030\n+0001c710: 2c2d 3239 342e 3335 2031 3034 372e 3739  ,-294.35 1047.79\n+0001c720: 2c2d 3239 322e 3138 2031 3036 372e 352c  ,-292.18 1067.5,\n+0001c730: 2d32 3839 2e35 3220 3130 3834 2e30 312c  -289.52 1084.01,\n+0001c740: 2d32 3837 2e32 3222 2f3e 0a3c 706f 6c79  -287.22\"/>.<poly\n+0001c750: 676f 6e20 6669 6c6c 3d22 2362 6662 6662  gon fill=\"#bfbfb\n+0001c760: 6622 2073 7472 6f6b 653d 2223 6266 6266  f\" stroke=\"#bfbf\n+0001c770: 6266 2220 706f 696e 7473 3d22 3130 3834  bf\" points=\"1084\n+0001c780: 2e39 332c 2d32 3930 2e36 3220 3130 3934  .93,-290.62 1094\n+0001c790: 2e33 352c 2d32 3835 2e37 3720 3130 3833  .35,-285.77 1083\n+0001c7a0: 2e39 362c 2d32 3833 2e36 3920 3130 3834  .96,-283.69 1084\n+0001c7b0: 2e39 332c 2d32 3930 2e36 3222 2f3e 0a3c  .93,-290.62\"/>.<\n+0001c7c0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+0001c7d0: 7372 635f 6772 6f6d 6163 735f 7461 736b  src_gromacs_task\n+0001c7e0: 6173 7369 676e 6d65 6e74 2623 3435 3b26  assignment&#45;&\n+0001c7f0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0001c800: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69  omacs_mdrunutili\n+0001c810: 7479 202d 2d3e 0a3c 6720 6964 3d22 6564  ty -->.<g id=\"ed\n+0001c820: 6765 3139 3522 2063 6c61 7373 3d22 6564  ge195\" class=\"ed\n+0001c830: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+0001c840: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n+0001c850: 6173 6b61 7373 6967 6e6d 656e 7426 2334  askassignment&#4\n+0001c860: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0001c870: 5f67 726f 6d61 6373 5f6d 6472 756e 7574  _gromacs_mdrunut\n+0001c880: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70  ility</title>.<p\n+0001c890: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+0001c8a0: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+0001c8b0: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n+0001c8c0: 793d 2235 2c32 2220 643d 224d 3538 372e  y=\"5,2\" d=\"M587.\n+0001c8d0: 3834 2c2d 3333 302e 3233 4336 3132 2e37  84,-330.23C612.7\n+0001c8e0: 362c 2d33 3032 2e33 3120 3637 372e 3334  6,-302.31 677.34\n+0001c8f0: 2c2d 3233 352e 3136 2037 3437 2c2d 3230  ,-235.16 747,-20\n+0001c900: 342e 3631 2037 3539 2e37 392c 2d31 3939  4.61 759.79,-199\n+0001c910: 2039 3338 2e37 382c 2d31 3734 2e38 3820   938.78,-174.88 \n+0001c920: 3130 3239 2e33 322c 2d31 3632 2e39 3422  1029.32,-162.94\"\n+0001c930: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+0001c940: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+0001c950: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n+0001c960: 7473 3d22 3130 3239 2e39 322c 2d31 3636  ts=\"1029.92,-166\n+0001c970: 2e33 3920 3130 3339 2e33 382c 2d31 3631  .39 1039.38,-161\n+0001c980: 2e36 3120 3130 3239 2e30 312c 2d31 3539  .61 1029.01,-159\n+0001c990: 2e34 3520 3130 3239 2e39 322c 2d31 3636  .45 1029.92,-166\n+0001c9a0: 2e33 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .39\"/>.</g>.<!--\n+0001c9b0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+0001c9c0: 6163 735f 7461 736b 6173 7369 676e 6d65  acs_taskassignme\n+0001c9d0: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c  nt&#45;&gt;modul\n+0001c9e0: 655f 7372 635f 6772 6f6d 6163 735f 646f  e_src_gromacs_do\n+0001c9f0: 6d64 6563 202d 2d3e 0a3c 6720 6964 3d22  mdec -->.<g id=\"\n+0001ca00: 6564 6765 3139 3322 2063 6c61 7373 3d22  edge193\" class=\"\n+0001ca10: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+0001ca20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001ca30: 5f74 6173 6b61 7373 6967 6e6d 656e 7426  _taskassignment&\n+0001ca40: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001ca50: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465  rc_gromacs_domde\n+0001ca60: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820  c</title>.<path \n+0001ca70: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+0001ca80: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n+0001ca90: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n+0001caa0: 2c32 2220 643d 224d 3536 332e 3633 2c2d  ,2\" d=\"M563.63,-\n+0001cab0: 3335 372e 3033 4335 3534 2e30 312c 2d33  357.03C554.01,-3\n+0001cac0: 3636 2e33 3120 3534 312e 3136 2c2d 3337  66.31 541.16,-37\n+0001cad0: 392e 3734 2035 3332 2c2d 3339 332e 3232  9.74 532,-393.22\n+0001cae0: 2034 3937 2e31 392c 2d34 3434 2e34 3320   497.19,-444.43 \n+0001caf0: 3438 352e 3637 2c2d 3435 382e 3537 2034  485.67,-458.57 4\n+0001cb00: 3732 2c2d 3531 382e 3936 2034 3631 2e39  72,-518.96 461.9\n+0001cb10: 342c 2d35 3633 2e33 3820 3439 332e 3334  4,-563.38 493.34\n+0001cb20: 2c2d 3631 312e 3331 2035 3134 2e34 342c  ,-611.31 514.44,\n+0001cb30: 2d36 3337 2e34 3222 2f3e 0a3c 706f 6c79  -637.42\"/>.<poly\n+0001cb40: 676f 6e20 6669 6c6c 3d22 2332 3832 6663  gon fill=\"#282fc\n+0001cb50: 6322 2073 7472 6f6b 653d 2223 3238 3266  c\" stroke=\"#282f\n+0001cb60: 6363 2220 706f 696e 7473 3d22 3531 312e  cc\" points=\"511.\n+0001cb70: 3736 2c2d 3633 392e 3637 2035 3230 2e38  76,-639.67 520.8\n+0001cb80: 362c 2d36 3435 2e30 3920 3531 372e 3133  6,-645.09 517.13\n+0001cb90: 2c2d 3633 352e 3138 2035 3131 2e37 362c  ,-635.18 511.76,\n+0001cba0: 2d36 3339 2e36 3722 2f3e 0a3c 2f67 3e0a  -639.67\"/>.</g>.\n+0001cbb0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+0001cbc0: 6772 6f6d 6163 735f 676d 7870 7265 7072  gromacs_gmxprepr\n+0001cbd0: 6f63 6573 7326 2334 353b 2667 743b 6d6f  ocess&#45;&gt;mo\n+0001cbe0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001cbf0: 5f67 6d78 6c69 6220 2d2d 3e0a 3c67 2069  _gmxlib -->.<g i\n+0001cc00: 643d 2265 6467 6532 3031 2220 636c 6173  d=\"edge201\" clas\n+0001cc10: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+0001cc20: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+0001cc30: 6163 735f 676d 7870 7265 7072 6f63 6573  acs_gmxpreproces\n+0001cc40: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+0001cc50: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n+0001cc60: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174  lib</title>.<pat\n+0001cc70: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+0001cc80: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n+0001cc90: 3d22 4d31 3636 342e 3033 2c2d 3132 3135  =\"M1664.03,-1215\n+0001cca0: 2e33 3243 3136 3038 2e38 372c 2d31 3230  .32C1608.87,-120\n+0001ccb0: 352e 3920 3135 3132 2e35 312c 2d31 3138  5.9 1512.51,-118\n+0001ccc0: 392e 3332 2031 3433 302c 2d31 3137 342e  9.32 1430,-1174.\n+0001ccd0: 3533 2031 3239 342e 3136 2c2d 3131 3530  53 1294.16,-1150\n+0001cce0: 2e31 3720 3131 3333 2e30 372c 2d31 3131  .17 1133.07,-111\n+0001ccf0: 392e 3938 2031 3036 312e 3037 2c2d 3131  9.98 1061.07,-11\n+0001cd00: 3036 2e34 3222 2f3e 0a3c 706f 6c79 676f  06.42\"/>.<polygo\n+0001cd10: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n+0001cd20: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+0001cd30: 2220 706f 696e 7473 3d22 3130 3631 2e35  \" points=\"1061.5\n+0001cd40: 382c 2d31 3130 322e 3935 2031 3035 312e  8,-1102.95 1051.\n+0001cd50: 3131 2c2d 3131 3034 2e35 3420 3130 3630  11,-1104.54 1060\n+0001cd60: 2e32 382c 2d31 3130 392e 3833 2031 3036  .28,-1109.83 106\n+0001cd70: 312e 3538 2c2d 3131 3032 2e39 3522 2f3e  1.58,-1102.95\"/>\n+0001cd80: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+0001cd90: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+0001cda0: 7870 7265 7072 6f63 6573 7326 2334 353b  xpreprocess&#45;\n+0001cdb0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0001cdc0: 726f 6d61 6373 5f6e 626e 786d 202d 2d3e  romacs_nbnxm -->\n+0001cdd0: 0a3c 6720 6964 3d22 6564 6765 3231 3322  .<g id=\"edge213\"\n+0001cde0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+0001cdf0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+0001ce00: 5f67 726f 6d61 6373 5f67 6d78 7072 6570  _gromacs_gmxprep\n+0001ce10: 726f 6365 7373 2623 3435 3b26 6774 3b6d  rocess&#45;&gt;m\n+0001ce20: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001ce30: 735f 6e62 6e78 6d3c 2f74 6974 6c65 3e0a  s_nbnxm</title>.\n+0001ce40: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+0001ce50: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+0001ce60: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n+0001ce70: 7261 793d 2235 2c32 2220 643d 224d 3136  ray=\"5,2\" d=\"M16\n+0001ce80: 3530 2e31 362c 2d31 3232 332e 3231 4331  50.16,-1223.21C1\n+0001ce90: 3434 382e 3739 2c2d 3132 3233 2e36 2037  448.79,-1223.6 7\n+0001cea0: 3838 2e32 392c 2d31 3232 312e 3220 3538  88.29,-1221.2 58\n+0001ceb0: 322c 2d31 3137 342e 3533 2034 3238 2e39  2,-1174.53 428.9\n+0001cec0: 312c 2d31 3133 392e 3920 3235 372c 2d31  1,-1139.9 257,-1\n+0001ced0: 3139 332e 3331 2032 3537 2c2d 3130 3336  193.31 257,-1036\n+0001cee0: 2e33 3620 3235 372c 2d31 3033 362e 3336  .36 257,-1036.36\n+0001cef0: 2032 3537 2c2d 3130 3336 2e33 3620 3235   257,-1036.36 25\n+0001cf00: 372c 2d38 3435 2e37 3520 3235 372c 2d37  7,-845.75 257,-7\n+0001cf10: 3932 2e30 3420 3331 352e 3938 2c2d 3735  92.04 315.98,-75\n+0001cf20: 342e 3233 2033 3533 2e38 372c 2d37 3335  4.23 353.87,-735\n+0001cf30: 2e34 3822 2f3e 0a3c 706f 6c79 676f 6e20  .48\"/>.<polygon \n+0001cf40: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n+0001cf50: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+0001cf60: 706f 696e 7473 3d22 3335 352e 3438 2c2d  points=\"355.48,-\n+0001cf70: 3733 382e 3539 2033 3633 2c2d 3733 312e  738.59 363,-731.\n+0001cf80: 3133 2033 3532 2e34 362c 2d37 3332 2e32  13 352.46,-732.2\n+0001cf90: 3720 3335 352e 3438 2c2d 3733 382e 3539  7 355.48,-738.59\n+0001cfa0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+0001cfb0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001cfc0: 5f67 6d78 7072 6570 726f 6365 7373 2623  _gmxpreprocess&#\n+0001cfd0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0001cfe0: 635f 6772 6f6d 6163 735f 7261 6e64 6f6d  c_gromacs_random\n+0001cff0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+0001d000: 3139 3922 2063 6c61 7373 3d22 6564 6765  199\" class=\"edge\n+0001d010: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+0001d020: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n+0001d030: 7072 6570 726f 6365 7373 2623 3435 3b26  preprocess&#45;&\n+0001d040: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0001d050: 6f6d 6163 735f 7261 6e64 6f6d 3c2f 7469  omacs_random</ti\n+0001d060: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+0001d070: 226e 6f6e 6522 2073 7472 6f6b 653d 2262  \"none\" stroke=\"b\n+0001d080: 6c61 636b 2220 7374 726f 6b65 2d64 6173  lack\" stroke-das\n+0001d090: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n+0001d0a0: 4d31 3734 392e 3834 2c2d 3132 3134 2e32  M1749.84,-1214.2\n+0001d0b0: 3343 3137 3537 2e35 312c 2d31 3231 322e  3C1757.51,-1212.\n+0001d0c0: 3832 2031 3736 352e 3438 2c2d 3132 3131  82 1765.48,-1211\n+0001d0d0: 2e35 2031 3737 332c 2d31 3231 302e 3533  .5 1773,-1210.53\n+0001d0e0: 2031 3833 332e 3835 2c2d 3132 3032 2e36   1833.85,-1202.6\n+0001d0f0: 3620 3232 3831 2e39 372c 2d31 3231 392e  6 2281.97,-1219.\n+0001d100: 3232 2032 3332 342c 2d31 3137 342e 3533  22 2324,-1174.53\n+0001d110: 2032 3337 382e 3639 2c2d 3131 3136 2e33   2378.69,-1116.3\n+0001d120: 3820 3233 3535 2e31 392c 2d35 3239 2e39  8 2355.19,-529.9\n+0001d130: 3920 3233 3235 2c2d 3435 362e 3039 2032  9 2325,-456.09 2\n+0001d140: 3330 362e 3036 2c2d 3430 392e 3732 2032  306.06,-409.72 2\n+0001d150: 3136 342e 3833 2c2d 3238 372e 3538 2032  164.83,-287.58 2\n+0001d160: 3132 312c 2d32 3637 2e34 3820 3230 3135  121,-267.48 2015\n+0001d170: 2e37 362c 2d32 3139 2e32 3220 3139 3737  .76,-219.22 1977\n+0001d180: 2e32 2c2d 3235 302e 3533 2031 3836 332c  .2,-250.53 1863,\n+0001d190: 2d32 3331 2e34 3820 3138 3535 2e30 372c  -231.48 1855.07,\n+0001d1a0: 2d32 3330 2e31 3620 3138 3436 2e36 322c  -230.16 1846.62,\n+0001d1b0: 2d32 3238 2e36 3120 3138 3338 2e35 342c  -228.61 1838.54,\n+0001d1c0: 2d32 3237 2e30 3722 2f3e 0a3c 706f 6c79  -227.07\"/>.<poly\n+0001d1d0: 676f 6e20 6669 6c6c 3d22 626c 6163 6b22  gon fill=\"black\"\n+0001d1e0: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n+0001d1f0: 706f 696e 7473 3d22 3138 3339 2e30 362c  points=\"1839.06,\n+0001d200: 2d32 3233 2e36 2031 3832 382e 3537 2c2d  -223.6 1828.57,-\n+0001d210: 3232 352e 3133 2031 3833 372e 3732 2c2d  225.13 1837.72,-\n+0001d220: 3233 302e 3438 2031 3833 392e 3036 2c2d  230.48 1839.06,-\n+0001d230: 3232 332e 3622 2f3e 0a3c 2f67 3e0a 3c21  223.6\"/>.</g>.<!\n+0001d240: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+0001d250: 6f6d 6163 735f 676d 7870 7265 7072 6f63  omacs_gmxpreproc\n+0001d260: 6573 7326 2334 353b 2667 743b 6d6f 6475  ess&#45;&gt;modu\n+0001d270: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+0001d280: 6474 7970 6573 202d 2d3e 0a3c 6720 6964  dtypes -->.<g id\n+0001d290: 3d22 6564 6765 3230 3422 2063 6c61 7373  =\"edge204\" class\n+0001d2a0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+0001d2b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001d2c0: 6373 5f67 6d78 7072 6570 726f 6365 7373  cs_gmxpreprocess\n+0001d2d0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0001d2e0: 7372 635f 6772 6f6d 6163 735f 6d64 7479  src_gromacs_mdty\n+0001d2f0: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174  pes</title>.<pat\n+0001d300: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+0001d310: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n+0001d320: 3d22 4d31 3635 392e 3135 2c2d 3132 3136  =\"M1659.15,-1216\n+0001d330: 2e38 3543 3135 3938 2e32 342c 2d31 3230  .85C1598.24,-120\n+0001d340: 362e 3534 2031 3439 362e 3931 2c2d 3131  6.54 1496.91,-11\n+0001d350: 3739 2e36 3720 3134 3435 2c2d 3131 3131  79.67 1445,-1111\n+0001d360: 2e36 3620 3134 3333 2e36 392c 2d31 3039  .66 1433.69,-109\n+0001d370: 362e 3834 2031 3433 312e 3832 2c2d 3130  6.84 1431.82,-10\n+0001d380: 3735 2e34 3220 3134 3332 2e34 322c 2d31  75.42 1432.42,-1\n+0001d390: 3035 392e 3231 222f 3e0a 3c70 6f6c 7967  059.21\"/>.<polyg\n+0001d3a0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n+0001d3b0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+0001d3c0: 6622 2070 6f69 6e74 733d 2231 3433 352e  f\" points=\"1435.\n+0001d3d0: 3933 2c2d 3130 3539 2e31 3920 3134 3333  93,-1059.19 1433\n+0001d3e0: 2e31 342c 2d31 3034 382e 3937 2031 3432  .14,-1048.97 142\n+0001d3f0: 382e 3934 2c2d 3130 3538 2e37 2031 3433  8.94,-1058.7 143\n+0001d400: 352e 3933 2c2d 3130 3539 2e31 3922 2f3e  5.93,-1059.19\"/>\n+0001d410: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+0001d420: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+0001d430: 7870 7265 7072 6f63 6573 7326 2334 353b  xpreprocess&#45;\n+0001d440: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0001d450: 726f 6d61 6373 5f6c 6973 7465 645f 666f  romacs_listed_fo\n+0001d460: 7263 6573 202d 2d3e 0a3c 6720 6964 3d22  rces -->.<g id=\"\n+0001d470: 6564 6765 3230 3922 2063 6c61 7373 3d22  edge209\" class=\"\n+0001d480: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+0001d490: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001d4a0: 5f67 6d78 7072 6570 726f 6365 7373 2623  _gmxpreprocess&#\n+0001d4b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0001d4c0: 635f 6772 6f6d 6163 735f 6c69 7374 6564  c_gromacs_listed\n+0001d4d0: 5f66 6f72 6365 733c 2f74 6974 6c65 3e0a  _forces</title>.\n+0001d4e0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+0001d4f0: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+0001d500: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n+0001d510: 7261 793d 2235 2c32 2220 643d 224d 3136  ray=\"5,2\" d=\"M16\n+0001d520: 3530 2e30 382c 2d31 3232 332e 3031 4331  50.08,-1223.01C1\n+0001d530: 3430 342e 322c 2d31 3232 322e 3838 2034  404.2,-1222.88 4\n+0001d540: 3636 2e38 392c 2d31 3231 392e 3434 2033  66.89,-1219.44 3\n+0001d550: 3433 2c2d 3131 3734 2e35 3320 3130 342e  43,-1174.53 104.\n+0001d560: 3337 2c2d 3130 3838 2e30 3420 3937 2c2d  37,-1088.04 97,-\n+0001d570: 3931 322e 3936 2039 372c 2d36 3539 2e31  912.96 97,-659.1\n+0001d580: 3420 3937 2c2d 3635 392e 3134 2039 372c  4 97,-659.14 97,\n+0001d590: 2d36 3539 2e31 3420 3937 2c2d 3539 342e  -659.14 97,-594.\n+0001d5a0: 3237 2039 372c 2d35 3135 2e35 3220 3137  27 97,-515.52 17\n+0001d5b0: 352e 3238 2c2d 3331 392e 3934 2032 3334  5.28,-319.94 234\n+0001d5c0: 2c2d 3236 372e 3438 2032 3630 2e36 322c  ,-267.48 260.62,\n+0001d5d0: 2d32 3433 2e36 3920 3239 382e 3932 2c2d  -243.69 298.92,-\n+0001d5e0: 3233 312e 3539 2033 3330 2e35 342c 2d32  231.59 330.54,-2\n+0001d5f0: 3235 2e34 3222 2f3e 0a3c 706f 6c79 676f  25.42\"/>.<polygo\n+0001d600: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n+0001d610: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+0001d620: 2220 706f 696e 7473 3d22 3333 312e 3333  \" points=\"331.33\n+0001d630: 2c2d 3232 382e 3834 2033 3430 2e35 352c  ,-228.84 340.55,\n+0001d640: 2d32 3233 2e36 3220 3333 302e 3039 2c2d  -223.62 330.09,-\n+0001d650: 3232 312e 3935 2033 3331 2e33 332c 2d32  221.95 331.33,-2\n+0001d660: 3238 2e38 3422 2f3e 0a3c 2f67 3e0a 3c21  28.84\"/>.</g>.<!\n+0001d670: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+0001d680: 6f6d 6163 735f 676d 7870 7265 7072 6f63  omacs_gmxpreproc\n+0001d690: 6573 7326 2334 353b 2667 743b 6d6f 6475  ess&#45;&gt;modu\n+0001d6a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66  le_src_gromacs_f\n+0001d6b0: 696c 6569 6f20 2d2d 3e0a 3c67 2069 643d  ileio -->.<g id=\n+0001d6c0: 2265 6467 6532 3030 2220 636c 6173 733d  \"edge200\" class=\n+0001d6d0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+0001d6e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001d6f0: 735f 676d 7870 7265 7072 6f63 6573 7326  s_gmxpreprocess&\n+0001d700: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001d710: 7263 5f67 726f 6d61 6373 5f66 696c 6569  rc_gromacs_filei\n+0001d720: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820  o</title>.<path \n+0001d730: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+0001d740: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n+0001d750: 4d31 3735 302e 3537 2c2d 3132 3134 2e33  M1750.57,-1214.3\n+0001d760: 3643 3137 3538 2e30 322c 2d31 3231 322e  6C1758.02,-1212.\n+0001d770: 3937 2031 3736 352e 3732 2c2d 3132 3131  97 1765.72,-1211\n+0001d780: 2e36 3320 3137 3733 2c2d 3132 3130 2e35  .63 1773,-1210.5\n+0001d790: 3320 3138 3834 2e31 342c 2d31 3139 332e  3 1884.14,-1193.\n+0001d7a0: 3739 2032 3230 352e 3631 2c2d 3132 3034  79 2205.61,-1204\n+0001d7b0: 2e34 3720 3232 3639 2c2d 3131 3131 2e36  .47 2269,-1111.6\n+0001d7c0: 3620 3232 3937 2e37 2c2d 3130 3639 2e36  6 2297.7,-1069.6\n+0001d7d0: 3520 3231 3939 2c2d 3731 302e 3031 2032  5 2199,-710.01 2\n+0001d7e0: 3139 392c 2d36 3539 2e31 3420 3231 3939  199,-659.14 2199\n+0001d7f0: 2c2d 3635 392e 3134 2032 3139 392c 2d36  ,-659.14 2199,-6\n+0001d800: 3539 2e31 3420 3231 3939 2c2d 3539 342e  59.14 2199,-594.\n+0001d810: 3237 2032 3139 392c 2d35 3434 2e37 3820  27 2199,-544.78 \n+0001d820: 3231 3632 2e31 392c 2d35 3339 2e31 3220  2162.19,-539.12 \n+0001d830: 3231 3137 2c2d 3531 382e 3936 2032 3033  2117,-518.96 203\n+0001d840: 332e 3639 2c2d 3438 312e 3820 3137 3533  3.69,-481.8 1753\n+0001d850: 2e34 312c 2d34 3733 2e30 3420 3136 3532  .41,-473.04 1652\n+0001d860: 2e30 312c 2d34 3731 2e30 3722 2f3e 0a3c  .01,-471.07\"/>.<\n+0001d870: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n+0001d880: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n+0001d890: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n+0001d8a0: 3136 3531 2e39 392c 2d34 3637 2e35 3720  1651.99,-467.57 \n+0001d8b0: 3136 3431 2e39 332c 2d34 3730 2e38 3920  1641.93,-470.89 \n+0001d8c0: 3136 3531 2e38 362c 2d34 3734 2e35 3720  1651.86,-474.57 \n+0001d8d0: 3136 3531 2e39 392c 2d34 3637 2e35 3722  1651.99,-467.57\"\n+0001d8e0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+0001d8f0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001d900: 676d 7870 7265 7072 6f63 6573 7326 2334  gmxpreprocess&#4\n+0001d910: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0001d920: 5f67 726f 6d61 6373 5f65 7761 6c64 202d  _gromacs_ewald -\n+0001d930: 2d3e 0a3c 6720 6964 3d22 6564 6765 3231  ->.<g id=\"edge21\n+0001d940: 3022 2063 6c61 7373 3d22 6564 6765 223e  0\" class=\"edge\">\n+0001d950: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+0001d960: 7263 5f67 726f 6d61 6373 5f67 6d78 7072  rc_gromacs_gmxpr\n+0001d970: 6570 726f 6365 7373 2623 3435 3b26 6774  eprocess&#45;&gt\n+0001d980: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0001d990: 6163 735f 6577 616c 643c 2f74 6974 6c65  acs_ewald</title\n+0001d9a0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+0001d9b0: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n+0001d9c0: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n+0001d9d0: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n+0001d9e0: 3136 3530 2e34 322c 2d31 3232 322e 3634  1650.42,-1222.64\n+0001d9f0: 4331 3433 392e 3631 2c2d 3132 3231 2e31  C1439.61,-1221.1\n+0001da00: 3520 3732 372e 3133 2c2d 3132 3133 2e32  5 727.13,-1213.2\n+0001da10: 3720 3633 332c 2d31 3137 342e 3533 2035  7 633,-1174.53 5\n+0001da20: 3337 2e38 332c 2d31 3133 352e 3336 2034  37.83,-1135.36 4\n+0001da30: 3537 2e31 322c 2d31 3033 362e 3539 2034  57.12,-1036.59 4\n+0001da40: 3235 2e34 2c2d 3939 332e 3739 222f 3e0a  25.4,-993.79\"/>.\n+0001da50: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+0001da60: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n+0001da70: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n+0001da80: 2234 3238 2e31 312c 2d39 3931 2e35 3620  \"428.11,-991.56 \n+0001da90: 3431 392e 3339 2c2d 3938 352e 3534 2034  419.39,-985.54 4\n+0001daa0: 3232 2e34 352c 2d39 3935 2e36 3820 3432  22.45,-995.68 42\n+0001dab0: 382e 3131 2c2d 3939 312e 3536 222f 3e0a  8.11,-991.56\"/>.\n+0001dac0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+0001dad0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n+0001dae0: 7072 6570 726f 6365 7373 2623 3435 3b26  preprocess&#45;&\n+0001daf0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0001db00: 6f6d 6163 735f 696d 6420 2d2d 3e0a 3c67  omacs_imd -->.<g\n+0001db10: 2069 643d 2265 6467 6532 3132 2220 636c   id=\"edge212\" cl\n+0001db20: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+0001db30: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+0001db40: 6f6d 6163 735f 676d 7870 7265 7072 6f63  omacs_gmxpreproc\n+0001db50: 6573 7326 2334 353b 2667 743b 6d6f 6475  ess&#45;&gt;modu\n+0001db60: 6c65 5f73 7263 5f67 726f 6d61 6373 5f69  le_src_gromacs_i\n+0001db70: 6d64 3c2f 7469 746c 653e 0a3c 7061 7468  md</title>.<path\n+0001db80: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+0001db90: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n+0001dba0: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+0001dbb0: 352c 3222 2064 3d22 4d31 3735 302e 322c  5,2\" d=\"M1750.2,\n+0001dbc0: 2d31 3231 342e 3236 4331 3735 372e 3736  -1214.26C1757.76\n+0001dbd0: 2c2d 3132 3132 2e38 3620 3137 3635 2e36  ,-1212.86 1765.6\n+0001dbe0: 2c2d 3132 3131 2e35 3420 3137 3733 2c2d  ,-1211.54 1773,-\n+0001dbf0: 3132 3130 2e35 3320 3139 3730 2e39 312c  1210.53 1970.91,\n+0001dc00: 2d31 3138 332e 3434 2032 3033 342e 362c  -1183.44 2034.6,\n+0001dc10: 2d31 3234 362e 3333 2032 3232 312c 2d31  -1246.33 2221,-1\n+0001dc20: 3137 342e 3533 2032 3237 322e 3236 2c2d  174.53 2272.26,-\n+0001dc30: 3131 3534 2e37 3920 3233 3139 2c2d 3131  1154.79 2319,-11\n+0001dc40: 3534 2e31 3620 3233 3139 2c2d 3130 3939  54.16 2319,-1099\n+0001dc50: 2e32 3320 3233 3139 2c2d 3130 3939 2e32  .23 2319,-1099.2\n+0001dc60: 3320 3233 3139 2c2d 3130 3939 2e32 3320  3 2319,-1099.23 \n+0001dc70: 3233 3139 2c2d 3738 322e 3838 2032 3331  2319,-782.88 231\n+0001dc80: 392c 2d36 3931 2e31 3120 3233 3037 2c2d  9,-691.11 2307,-\n+0001dc90: 3636 362e 3636 2032 3237 322c 2d35 3831  666.66 2272,-581\n+0001dca0: 2e38 3320 3232 3430 2e36 392c 2d35 3035  .83 2240.69,-505\n+0001dcb0: 2e39 3520 3231 3438 2e34 352c 2d33 3039  .95 2148.45,-309\n+0001dcc0: 2e36 3220 3230 3738 2c2d 3236 372e 3438  .62 2078,-267.48\n+0001dcd0: 2032 3034 342e 3731 2c2d 3234 372e 3537   2044.71,-247.57\n+0001dce0: 2031 3436 342e 3933 2c2d 3232 352e 3738   1464.93,-225.78\n+0001dcf0: 2031 3331 312e 3137 2c2d 3232 302e 3333   1311.17,-220.33\n+0001dd00: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+0001dd10: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n+0001dd20: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n+0001dd30: 6e74 733d 2231 3331 302e 3937 2c2d 3231  nts=\"1310.97,-21\n+0001dd40: 362e 3832 2031 3330 302e 3835 2c2d 3231  6.82 1300.85,-21\n+0001dd50: 392e 3937 2031 3331 302e 3732 2c2d 3232  9.97 1310.72,-22\n+0001dd60: 332e 3832 2031 3331 302e 3937 2c2d 3231  3.82 1310.97,-21\n+0001dd70: 362e 3832 222f 3e0a 3c2f 673e 0a3c 212d  6.82\"/>.</g>.<!-\n+0001dd80: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+0001dd90: 6d61 6373 5f67 6d78 7072 6570 726f 6365  macs_gmxpreproce\n+0001dda0: 7373 2623 3435 3b26 6774 3b6d 6f64 756c  ss&#45;&gt;modul\n+0001ddb0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+0001ddc0: 6c69 6220 2d2d 3e0a 3c67 2069 643d 2265  lib -->.<g id=\"e\n+0001ddd0: 6467 6532 3033 2220 636c 6173 733d 2265  dge203\" class=\"e\n+0001dde0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+0001ddf0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001de00: 676d 7870 7265 7072 6f63 6573 7326 2334  gmxpreprocess&#4\n+0001de10: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0001de20: 5f67 726f 6d61 6373 5f6d 646c 6962 3c2f  _gromacs_mdlib</\n+0001de30: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+0001de40: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+0001de50: 2223 6266 6266 6266 2220 643d 224d 3137  \"#bfbfbf\" d=\"M17\n+0001de60: 3530 2e32 312c 2d31 3231 342e 3343 3137  50.21,-1214.3C17\n+0001de70: 3537 2e37 362c 2d31 3231 322e 3920 3137  57.76,-1212.9 17\n+0001de80: 3635 2e36 2c2d 3132 3131 2e35 3720 3137  65.6,-1211.57 17\n+0001de90: 3733 2c2d 3132 3130 2e35 3320 3139 3535  73,-1210.53 1955\n+0001dea0: 2e34 362c 2d31 3138 342e 3932 2032 3031  .46,-1184.92 201\n+0001deb0: 322e 3832 2c2d 3132 3337 2e34 3320 3231  2.82,-1237.43 21\n+0001dec0: 3836 2c2d 3131 3734 2e35 3320 3232 3331  86,-1174.53 2231\n+0001ded0: 2e38 362c 2d31 3135 372e 3838 2032 3235  .86,-1157.88 225\n+0001dee0: 322e 3938 2c2d 3131 3534 2e36 3820 3232  2.98,-1154.68 22\n+0001def0: 3736 2c2d 3131 3131 2e36 3620 3233 3034  76,-1111.66 2304\n+0001df00: 2e39 382c 2d31 3035 372e 3520 3232 3739  .98,-1057.5 2279\n+0001df10: 2c2d 3130 3334 2e39 3120 3232 3739 2c2d  ,-1034.91 2279,-\n+0001df20: 3937 332e 3439 2032 3237 392c 2d39 3733  973.49 2279,-973\n+0001df30: 2e34 3920 3232 3739 2c2d 3937 332e 3439  .49 2279,-973.49\n+0001df40: 2032 3237 392c 2d36 3537 2e31 3420 3232   2279,-657.14 22\n+0001df50: 3739 2c2d 3532 352e 3031 2032 3137 342e  79,-525.01 2174.\n+0001df60: 3338 2c2d 3532 322e 3233 2032 3036 302c  38,-522.23 2060,\n+0001df70: 2d34 3536 2e30 3920 3230 3033 2e30 352c  -456.09 2003.05,\n+0001df80: 2d34 3233 2e31 3620 3139 3838 2e30 322c  -423.16 1988.02,\n+0001df90: 2d34 3135 2e31 3420 3139 3236 2c2d 3339  -415.14 1926,-39\n+0001dfa0: 332e 3232 2031 3634 342e 3139 2c2d 3239  3.22 1644.19,-29\n+0001dfb0: 332e 3631 2031 3237 372e 352c 2d32 3832  3.61 1277.5,-282\n+0001dfc0: 2e36 3420 3131 3539 2e34 322c 2d32 3831  .64 1159.42,-281\n+0001dfd0: 2e38 3222 2f3e 0a3c 706f 6c79 676f 6e20  .82\"/>.<polygon \n+0001dfe0: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n+0001dff0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+0001e000: 706f 696e 7473 3d22 3131 3539 2e34 332c  points=\"1159.43,\n+0001e010: 2d32 3738 2e33 3220 3131 3439 2e34 312c  -278.32 1149.41,\n+0001e020: 2d32 3831 2e37 3720 3131 3539 2e34 2c2d  -281.77 1159.4,-\n+0001e030: 3238 352e 3332 2031 3135 392e 3433 2c2d  285.32 1159.43,-\n+0001e040: 3237 382e 3332 222f 3e0a 3c2f 673e 0a3c  278.32\"/>.</g>.<\n+0001e050: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+0001e060: 726f 6d61 6373 5f67 6d78 7072 6570 726f  romacs_gmxprepro\n+0001e070: 6365 7373 2623 3435 3b26 6774 3b6d 6f64  cess&#45;&gt;mod\n+0001e080: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001e090: 6d64 7275 6e75 7469 6c69 7479 202d 2d3e  mdrunutility -->\n+0001e0a0: 0a3c 6720 6964 3d22 6564 6765 3230 3722  .<g id=\"edge207\"\n+0001e0b0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+0001e0c0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+0001e0d0: 5f67 726f 6d61 6373 5f67 6d78 7072 6570  _gromacs_gmxprep\n+0001e0e0: 726f 6365 7373 2623 3435 3b26 6774 3b6d  rocess&#45;&gt;m\n+0001e0f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001e100: 735f 6d64 7275 6e75 7469 6c69 7479 3c2f  s_mdrunutility</\n+0001e110: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+0001e120: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+0001e130: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+0001e140: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+0001e150: 2064 3d22 4d31 3736 352e 3331 2c2d 3132   d=\"M1765.31,-12\n+0001e160: 3230 2e30 3343 3139 3134 2e36 352c 2d31  20.03C1914.65,-1\n+0001e170: 3231 322e 3034 2032 3331 312e 3034 2c2d  212.04 2311.04,-\n+0001e180: 3131 3839 2e35 3420 3233 3335 2c2d 3131  1189.54 2335,-11\n+0001e190: 3734 2e35 3320 3233 3637 2e38 352c 2d31  74.53 2367.85,-1\n+0001e1a0: 3135 332e 3935 2032 3337 392c 2d31 3133  153.95 2379,-113\n+0001e1b0: 372e 3939 2032 3337 392c 2d31 3039 392e  7.99 2379,-1099.\n+0001e1c0: 3233 2032 3337 392c 2d31 3039 392e 3233  23 2379,-1099.23\n+0001e1d0: 2032 3337 392c 2d31 3039 392e 3233 2032   2379,-1099.23 2\n+0001e1e0: 3337 392c 2d31 3033 342e 3336 2032 3337  379,-1034.36 237\n+0001e1f0: 392c 2d36 3931 2e39 2032 3536 372e 3933  9,-691.9 2567.93\n+0001e200: 2c2d 3438 352e 3639 2032 3330 342c 2d32  ,-485.69 2304,-2\n+0001e210: 3637 2e34 3820 3232 3031 2e36 392c 2d31  67.48 2201.69,-1\n+0001e220: 3832 2e38 3920 3231 3433 2e36 2c2d 3232  82.89 2143.6,-22\n+0001e230: 322e 3039 2032 3031 322c 2d32 3034 2e36  2.09 2012,-204.6\n+0001e240: 3120 3139 3235 2e36 342c 2d31 3933 2e31  1 1925.64,-193.1\n+0001e250: 3420 3133 3236 2e30 312c 2d31 3636 2e37  4 1326.01,-166.7\n+0001e260: 2031 3133 372e 3535 2c2d 3135 382e 3539   1137.55,-158.59\n+0001e270: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+0001e280: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n+0001e290: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n+0001e2a0: 6e74 733d 2231 3133 372e 3435 2c2d 3135  nts=\"1137.45,-15\n+0001e2b0: 352e 3038 2031 3132 372e 3331 2c2d 3135  5.08 1127.31,-15\n+0001e2c0: 382e 3135 2031 3133 372e 3135 2c2d 3136  8.15 1137.15,-16\n+0001e2d0: 322e 3037 2031 3133 372e 3435 2c2d 3135  2.07 1137.45,-15\n+0001e2e0: 352e 3038 222f 3e0a 3c2f 673e 0a3c 212d  5.08\"/>.</g>.<!-\n+0001e2f0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+0001e300: 6d61 6373 5f67 6d78 7072 6570 726f 6365  macs_gmxpreproce\n+0001e310: 7373 2623 3435 3b26 6774 3b6d 6f64 756c  ss&#45;&gt;modul\n+0001e320: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n+0001e330: 6d6d 616e 646c 696e 6520 2d2d 3e0a 3c67  mmandline -->.<g\n+0001e340: 2069 643d 2265 6467 6531 3938 2220 636c   id=\"edge198\" cl\n+0001e350: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+0001e360: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+0001e370: 6f6d 6163 735f 676d 7870 7265 7072 6f63  omacs_gmxpreproc\n+0001e380: 6573 7326 2334 353b 2667 743b 6d6f 6475  ess&#45;&gt;modu\n+0001e390: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63  le_src_gromacs_c\n+0001e3a0: 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 746c  ommandline</titl\n+0001e3b0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+0001e3c0: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61  one\" stroke=\"bla\n+0001e3d0: 636b 2220 7374 726f 6b65 2d64 6173 6861  ck\" stroke-dasha\n+0001e3e0: 7272 6179 3d22 352c 3222 2064 3d22 4d31  rray=\"5,2\" d=\"M1\n+0001e3f0: 3635 302e 3338 2c2d 3132 3232 2e33 3943  650.38,-1222.39C\n+0001e400: 3133 3835 2e31 392c 2d31 3231 392e 3539  1385.19,-1219.59\n+0001e410: 2033 3037 2e39 322c 2d31 3230 362e 3239   307.92,-1206.29\n+0001e420: 2032 3434 2c2d 3131 3734 2e35 3320 3138   244,-1174.53 18\n+0001e430: 302e 3739 2c2d 3131 3433 2e31 3220 3138  0.79,-1143.12 18\n+0001e440: 312e 3939 2c2d 3131 3130 2e30 3920 3134  1.99,-1110.09 14\n+0001e450: 372c 2d31 3034 382e 3739 2035 392e 3738  7,-1048.79 59.78\n+0001e460: 2c2d 3839 352e 3938 2037 372c 2d38 3335  ,-895.98 77,-835\n+0001e470: 2e30 3920 3737 2c2d 3635 392e 3134 2037  .09 77,-659.14 7\n+0001e480: 372c 2d36 3539 2e31 3420 3737 2c2d 3635  7,-659.14 77,-65\n+0001e490: 392e 3134 2037 372c 2d32 3137 2e30 3520  9.14 77,-217.05 \n+0001e4a0: 3737 2c2d 3132 312e 3820 3738 342e 3932  77,-121.8 784.92\n+0001e4b0: 2c2d 3131 362e 3438 2038 3932 2c2d 3130  ,-116.48 892,-10\n+0001e4c0: 352e 3734 2039 3036 2e37 312c 2d31 3034  5.74 906.71,-104\n+0001e4d0: 2e32 3620 3932 322e 362c 2d31 3032 2e34  .26 922.6,-102.4\n+0001e4e0: 3120 3933 372e 332c 2d31 3030 2e35 3822  1 937.3,-100.58\"\n+0001e4f0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+0001e500: 3d22 626c 6163 6b22 2073 7472 6f6b 653d  =\"black\" stroke=\n+0001e510: 2262 6c61 636b 2220 706f 696e 7473 3d22  \"black\" points=\"\n+0001e520: 3933 372e 3736 2c2d 3130 342e 3035 2039  937.76,-104.05 9\n+0001e530: 3437 2e32 352c 2d39 392e 3333 2039 3336  47.25,-99.33 936\n+0001e540: 2e38 392c 2d39 372e 3131 2039 3337 2e37  .89,-97.11 937.7\n+0001e550: 362c 2d31 3034 2e30 3522 2f3e 0a3c 2f67  6,-104.05\"/>.</g\n+0001e560: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+0001e570: 635f 6772 6f6d 6163 735f 676d 7870 7265  c_gromacs_gmxpre\n+0001e580: 7072 6f63 6573 7326 2334 353b 2667 743b  process&#45;&gt;\n+0001e590: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001e5a0: 6373 5f67 6d78 616e 6120 2d2d 3e0a 3c67  cs_gmxana -->.<g\n+0001e5b0: 2069 643d 2265 6467 6532 3134 2220 636c   id=\"edge214\" cl\n+0001e5c0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+0001e5d0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+0001e5e0: 6f6d 6163 735f 676d 7870 7265 7072 6f63  omacs_gmxpreproc\n+0001e5f0: 6573 7326 2334 353b 2667 743b 6d6f 6475  ess&#45;&gt;modu\n+0001e600: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+0001e610: 6d78 616e 613c 2f74 6974 6c65 3e0a 3c70  mxana</title>.<p\n+0001e620: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+0001e630: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+0001e640: 2064 3d22 4d31 3734 382e 3939 2c2d 3132   d=\"M1748.99,-12\n+0001e650: 3134 2e31 3243 3138 3031 2e33 362c 2d31  14.12C1801.36,-1\n+0001e660: 3230 322e 3532 2031 3839 322e 3631 2c2d  202.52 1892.61,-\n+0001e670: 3131 3832 2e33 3220 3139 3434 2e36 362c  1182.32 1944.66,\n+0001e680: 2d31 3137 302e 3822 2f3e 0a3c 706f 6c79  -1170.8\"/>.<poly\n+0001e690: 676f 6e20 6669 6c6c 3d22 2362 6662 6662  gon fill=\"#bfbfb\n+0001e6a0: 6622 2073 7472 6f6b 653d 2223 6266 6266  f\" stroke=\"#bfbf\n+0001e6b0: 6266 2220 706f 696e 7473 3d22 3139 3435  bf\" points=\"1945\n+0001e6c0: 2e35 322c 2d31 3137 342e 3220 3139 3534  .52,-1174.2 1954\n+0001e6d0: 2e35 322c 2d31 3136 382e 3632 2031 3934  .52,-1168.62 194\n+0001e6e0: 342c 2d31 3136 372e 3336 2031 3934 352e  4,-1167.36 1945.\n+0001e6f0: 3532 2c2d 3131 3734 2e32 222f 3e0a 3c2f  52,-1174.2\"/>.</\n+0001e700: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0001e710: 7263 5f67 726f 6d61 6373 5f67 6d78 7072  rc_gromacs_gmxpr\n+0001e720: 6570 726f 6365 7373 2623 3435 3b26 6774  eprocess&#45;&gt\n+0001e730: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0001e740: 6163 735f 6f70 7469 6f6e 7320 2d2d 3e0a  acs_options -->.\n+0001e750: 3c67 2069 643d 2265 6467 6532 3038 2220  <g id=\"edge208\" \n+0001e760: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+0001e770: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+0001e780: 6772 6f6d 6163 735f 676d 7870 7265 7072  gromacs_gmxprepr\n+0001e790: 6f63 6573 7326 2334 353b 2667 743b 6d6f  ocess&#45;&gt;mo\n+0001e7a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001e7b0: 5f6f 7074 696f 6e73 3c2f 7469 746c 653e  _options</title>\n+0001e7c0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+0001e7d0: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n+0001e7e0: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n+0001e7f0: 7272 6179 3d22 352c 3222 2064 3d22 4d31  rray=\"5,2\" d=\"M1\n+0001e800: 3635 302e 3337 2c2d 3132 3232 2e36 3343  650.37,-1222.63C\n+0001e810: 3133 3830 2e31 2c2d 3132 3230 2e38 3620  1380.1,-1220.86 \n+0001e820: 3236 342e 3736 2c2d 3132 3131 2e33 3620  264.76,-1211.36 \n+0001e830: 3230 312c 2d31 3137 342e 3533 2036 312e  201,-1174.53 61.\n+0001e840: 3931 2c2d 3130 3934 2e31 3820 3337 2c2d  91,-1094.18 37,-\n+0001e850: 3633 312e 3136 2033 372c 2d34 3730 2e35  631.16 37,-470.5\n+0001e860: 3320 3337 2c2d 3437 302e 3533 2033 372c  3 37,-470.53 37,\n+0001e870: 2d34 3730 2e35 3320 3337 2c2d 3135 342e  -470.53 37,-154.\n+0001e880: 3138 2033 372c 2d33 362e 3635 2034 3730  18 37,-36.65 470\n+0001e890: 2e38 322c 2d32 392e 3136 2036 3132 2e36  .82,-29.16 612.6\n+0001e8a0: 392c 2d32 392e 3835 222f 3e0a 3c70 6f6c  9,-29.85\"/>.<pol\n+0001e8b0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n+0001e8c0: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n+0001e8d0: 6663 6322 2070 6f69 6e74 733d 2236 3132  fcc\" points=\"612\n+0001e8e0: 2e37 362c 2d33 332e 3335 2036 3232 2e37  .76,-33.35 622.7\n+0001e8f0: 382c 2d32 392e 3932 2036 3132 2e38 312c  8,-29.92 612.81,\n+0001e900: 2d32 362e 3335 2036 3132 2e37 362c 2d33  -26.35 612.76,-3\n+0001e910: 332e 3335 222f 3e0a 3c2f 673e 0a3c 212d  3.35\"/>.</g>.<!-\n+0001e920: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+0001e930: 6d61 6373 5f67 6d78 7072 6570 726f 6365  macs_gmxpreproce\n+0001e940: 7373 2623 3435 3b26 6774 3b6d 6f64 756c  ss&#45;&gt;modul\n+0001e950: 655f 7372 635f 6772 6f6d 6163 735f 646f  e_src_gromacs_do\n+0001e960: 6d64 6563 202d 2d3e 0a3c 6720 6964 3d22  mdec -->.<g id=\"\n+0001e970: 6564 6765 3230 3222 2063 6c61 7373 3d22  edge202\" class=\"\n+0001e980: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+0001e990: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001e9a0: 5f67 6d78 7072 6570 726f 6365 7373 2623  _gmxpreprocess&#\n+0001e9b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0001e9c0: 635f 6772 6f6d 6163 735f 646f 6d64 6563  c_gromacs_domdec\n+0001e9d0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+0001e9e0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+0001e9f0: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n+0001ea00: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+0001ea10: 3222 2064 3d22 4d31 3635 302e 3935 2c2d  2\" d=\"M1650.95,-\n+0001ea20: 3132 3231 2e38 3843 3134 3335 2e30 372c  1221.88C1435.07,\n+0001ea30: 2d31 3231 372e 3636 2036 3835 2e37 322c  -1217.66 685.72,\n+0001ea40: 2d31 3230 312e 3232 2035 3832 2c2d 3131  -1201.22 582,-11\n+0001ea50: 3734 2e35 3320 3438 342e 3639 2c2d 3131  74.53 484.69,-11\n+0001ea60: 3439 2e34 3920 3137 372c 2d31 3037 332e  49.49 177,-1073.\n+0001ea70: 3936 2031 3737 2c2d 3937 332e 3439 2031  96 177,-973.49 1\n+0001ea80: 3737 2c2d 3937 332e 3439 2031 3737 2c2d  77,-973.49 177,-\n+0001ea90: 3937 332e 3439 2031 3737 2c2d 3834 352e  973.49 177,-845.\n+0001eaa0: 3735 2031 3737 2c2d 3730 372e 3335 2033  75 177,-707.35 3\n+0001eab0: 3930 2e39 392c 2d36 3731 2e33 3720 3438  90.99,-671.37 48\n+0001eac0: 362e 3639 2c2d 3636 322e 3222 2f3e 0a3c  6.69,-662.2\"/>.<\n+0001ead0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n+0001eae0: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n+0001eaf0: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n+0001eb00: 3438 372e 3032 2c2d 3636 352e 3638 2034  487.02,-665.68 4\n+0001eb10: 3936 2e36 362c 2d36 3631 2e33 2034 3836  96.66,-661.3 486\n+0001eb20: 2e33 392c 2d36 3538 2e37 3120 3438 372e  .39,-658.71 487.\n+0001eb30: 3032 2c2d 3636 352e 3638 222f 3e0a 3c2f  02,-665.68\"/>.</\n+0001eb40: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0001eb50: 7263 5f67 726f 6d61 6373 5f67 6d78 7072  rc_gromacs_gmxpr\n+0001eb60: 6570 726f 6365 7373 2623 3435 3b26 6774  eprocess&#45;&gt\n+0001eb70: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0001eb80: 6163 735f 6d64 7275 6e20 2d2d 3e0a 3c67  acs_mdrun -->.<g\n+0001eb90: 2069 643d 2265 6467 6532 3036 2220 636c   id=\"edge206\" cl\n+0001eba0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+0001ebb0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+0001ebc0: 6f6d 6163 735f 676d 7870 7265 7072 6f63  omacs_gmxpreproc\n+0001ebd0: 6573 7326 2334 353b 2667 743b 6d6f 6475  ess&#45;&gt;modu\n+0001ebe0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+0001ebf0: 6472 756e 3c2f 7469 746c 653e 0a3c 7061  drun</title>.<pa\n+0001ec00: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+0001ec10: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+0001ec20: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n+0001ec30: 3d22 352c 3222 2064 3d22 4d31 3736 372e  =\"5,2\" d=\"M1767.\n+0001ec40: 3436 2c2d 3132 3232 2e35 3543 3138 3333  46,-1222.55C1833\n+0001ec50: 2e32 342c 2d31 3232 302e 3138 2031 3934  .24,-1220.18 194\n+0001ec60: 322e 312c 2d31 3231 302e 3520 3230 3238  2.1,-1210.5 2028\n+0001ec70: 2c2d 3131 3734 2e35 3320 3230 3738 2e39  ,-1174.53 2078.9\n+0001ec80: 392c 2d31 3135 332e 3138 2032 3132 372c  9,-1153.18 2127,\n+0001ec90: 2d31 3135 342e 3531 2032 3132 372c 2d31  -1154.51 2127,-1\n+0001eca0: 3039 392e 3233 2032 3132 372c 2d31 3039  099.23 2127,-109\n+0001ecb0: 392e 3233 2032 3132 372c 2d31 3039 392e  9.23 2127,-1099.\n+0001ecc0: 3233 2032 3132 372c 2d39 3731 2e34 3920  23 2127,-971.49 \n+0001ecd0: 3231 3237 2c2d 3836 332e 3836 2032 3038  2127,-863.86 208\n+0001ece0: 322e 3534 2c2d 3832 382e 3633 2031 3939  2.54,-828.63 199\n+0001ecf0: 322c 2d37 3730 2e34 3420 3138 3137 2e36  2,-770.44 1817.6\n+0001ed00: 352c 2d36 3538 2e33 3820 3131 3436 2e35  5,-658.38 1146.5\n+0001ed10: 392c 2d36 3039 2e35 3520 3937 332e 3738  9,-609.55 973.78\n+0001ed20: 2c2d 3539 382e 3638 222f 3e0a 3c70 6f6c  ,-598.68\"/>.<pol\n+0001ed30: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n+0001ed40: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n+0001ed50: 6663 6322 2070 6f69 6e74 733d 2239 3733  fcc\" points=\"973\n+0001ed60: 2e37 382c 2d35 3935 2e31 3720 3936 332e  .78,-595.17 963.\n+0001ed70: 3539 2c2d 3539 382e 3035 2039 3733 2e33  59,-598.05 973.3\n+0001ed80: 352c 2d36 3032 2e31 3620 3937 332e 3738  5,-602.16 973.78\n+0001ed90: 2c2d 3539 352e 3137 222f 3e0a 3c2f 673e  ,-595.17\"/>.</g>\n+0001eda0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+0001edb0: 5f67 726f 6d61 6373 5f67 6d78 7072 6570  _gromacs_gmxprep\n+0001edc0: 726f 6365 7373 2623 3435 3b26 6774 3b6d  rocess&#45;&gt;m\n+0001edd0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001ede0: 735f 6666 7420 2d2d 3e0a 3c67 2069 643d  s_fft -->.<g id=\n+0001edf0: 2265 6467 6532 3131 2220 636c 6173 733d  \"edge211\" class=\n+0001ee00: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+0001ee10: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001ee20: 735f 676d 7870 7265 7072 6f63 6573 7326  s_gmxpreprocess&\n+0001ee30: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001ee40: 7263 5f67 726f 6d61 6373 5f66 6674 3c2f  rc_gromacs_fft</\n+0001ee50: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+0001ee60: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+0001ee70: 2223 6266 6266 6266 2220 643d 224d 3136  \"#bfbfbf\" d=\"M16\n+0001ee80: 3530 2e36 362c 2d31 3232 322e 3431 4331  50.66,-1222.41C1\n+0001ee90: 3432 372e 3136 2c2d 3132 3139 2e35 3320  427.16,-1219.53 \n+0001eea0: 3633 382c 2d31 3230 322e 3035 2036 3338  638,-1202.05 638\n+0001eeb0: 2c2d 3130 3939 2e32 3320 3633 382c 2d31  ,-1099.23 638,-1\n+0001eec0: 3039 392e 3233 2036 3338 2c2d 3130 3939  099.23 638,-1099\n+0001eed0: 2e32 3320 3633 382c 2d31 3033 342e 3336  .23 638,-1034.36\n+0001eee0: 2036 3338 2c2d 3939 392e 3135 2036 3337   638,-999.15 637\n+0001eef0: 2e35 392c 2d39 3538 2e33 2036 3337 2e33  .59,-958.3 637.3\n+0001ef00: 2c2d 3933 332e 3437 222f 3e0a 3c70 6f6c  ,-933.47\"/>.<pol\n+0001ef10: 7967 6f6e 2066 696c 6c3d 2223 6266 6266  ygon fill=\"#bfbf\n+0001ef20: 6266 2220 7374 726f 6b65 3d22 2362 6662  bf\" stroke=\"#bfb\n+0001ef30: 6662 6622 2070 6f69 6e74 733d 2236 3430  fbf\" points=\"640\n+0001ef40: 2e37 392c 2d39 3333 2e32 3220 3633 372e  .79,-933.22 637.\n+0001ef50: 3137 2c2d 3932 332e 3236 2036 3333 2e37  17,-923.26 633.7\n+0001ef60: 392c 2d39 3333 2e33 3120 3634 302e 3739  9,-933.31 640.79\n+0001ef70: 2c2d 3933 332e 3232 222f 3e0a 3c2f 673e  ,-933.22\"/>.</g>\n+0001ef80: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+0001ef90: 5f67 726f 6d61 6373 5f67 6d78 7072 6570  _gromacs_gmxprep\n+0001efa0: 726f 6365 7373 2623 3435 3b26 6774 3b6d  rocess&#45;&gt;m\n+0001efb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001efc0: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n+0001efd0: 5f61 7768 202d 2d3e 0a3c 6720 6964 3d22  _awh -->.<g id=\"\n+0001efe0: 6564 6765 3230 3522 2063 6c61 7373 3d22  edge205\" class=\"\n+0001eff0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+0001f000: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001f010: 5f67 6d78 7072 6570 726f 6365 7373 2623  _gmxpreprocess&#\n+0001f020: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0001f030: 635f 6772 6f6d 6163 735f 6170 706c 6965  c_gromacs_applie\n+0001f040: 645f 666f 7263 6573 5f61 7768 3c2f 7469  d_forces_awh</ti\n+0001f050: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+0001f060: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+0001f070: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n+0001f080: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+0001f090: 3d22 4d31 3736 332e 3737 2c2d 3132 3139  =\"M1763.77,-1219\n+0001f0a0: 2e30 3143 3138 3530 2e32 362c 2d31 3231  .01C1850.26,-121\n+0001f0b0: 322e 3220 3230 3134 2e31 372c 2d31 3139  2.2 2014.17,-119\n+0001f0c0: 362e 3820 3230 3638 2c2d 3131 3734 2e35  6.8 2068,-1174.5\n+0001f0d0: 3320 3231 3139 2e30 392c 2d31 3135 332e  3 2119.09,-1153.\n+0001f0e0: 3420 3231 3637 2c2d 3131 3534 2e35 3120  4 2167,-1154.51 \n+0001f0f0: 3231 3637 2c2d 3130 3939 2e32 3320 3231  2167,-1099.23 21\n+0001f100: 3637 2c2d 3130 3939 2e32 3320 3231 3637  67,-1099.23 2167\n+0001f110: 2c2d 3130 3939 2e32 3320 3231 3637 2c2d  ,-1099.23 2167,-\n+0001f120: 3937 312e 3439 2032 3136 372c 2d38 3133  971.49 2167,-813\n+0001f130: 2e38 3320 3231 3535 2e34 362c 2d37 3338  .83 2155.46,-738\n+0001f140: 2e38 3420 3230 3239 2c2d 3634 342e 3720  .84 2029,-644.7 \n+0001f150: 3139 3939 2e38 342c 2d36 3232 2e39 3920  1999.84,-622.99 \n+0001f160: 3137 3632 2e39 372c 2d35 3633 2e33 3320  1762.97,-563.33 \n+0001f170: 3136 3734 2e33 322c 2d35 3431 2e35 3222  1674.32,-541.52\"\n+0001f180: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+0001f190: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+0001f1a0: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n+0001f1b0: 7473 3d22 3136 3735 2e30 362c 2d35 3338  ts=\"1675.06,-538\n+0001f1c0: 2e31 2031 3636 342e 3531 2c2d 3533 392e  .1 1664.51,-539.\n+0001f1d0: 3131 2031 3637 332e 3339 2c2d 3534 342e  11 1673.39,-544.\n+0001f1e0: 3839 2031 3637 352e 3036 2c2d 3533 382e  89 1675.06,-538.\n+0001f1f0: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  1\"/>.</g>.<!-- m\n+0001f200: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001f210: 735f 676d 7870 7265 7072 6f63 6573 7326  s_gmxpreprocess&\n+0001f220: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001f230: 7263 5f74 6573 7475 7469 6c73 202d 2d3e  rc_testutils -->\n+0001f240: 0a3c 6720 6964 3d22 6564 6765 3231 3522  .<g id=\"edge215\"\n+0001f250: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+0001f260: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+0001f270: 5f67 726f 6d61 6373 5f67 6d78 7072 6570  _gromacs_gmxprep\n+0001f280: 726f 6365 7373 2623 3435 3b26 6774 3b6d  rocess&#45;&gt;m\n+0001f290: 6f64 756c 655f 7372 635f 7465 7374 7574  odule_src_testut\n+0001f2a0: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174  ils</title>.<pat\n+0001f2b0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+0001f2c0: 726f 6b65 3d22 7265 6422 2064 3d22 4d31  roke=\"red\" d=\"M1\n+0001f2d0: 3736 362e 3535 2c2d 3132 3231 2e32 3343  766.55,-1221.23C\n+0001f2e0: 3139 3037 2e35 372c 2d31 3231 362e 3539  1907.57,-1216.59\n+0001f2f0: 2032 3236 372e 3335 2c2d 3132 3032 2e33   2267.35,-1202.3\n+0001f300: 3320 3233 3834 2c2d 3131 3734 2e35 3320  3 2384,-1174.53 \n+0001f310: 3234 3638 2e33 362c 2d31 3135 342e 3433  2468.36,-1154.43\n+0001f320: 2032 3536 342c 2d31 3138 352e 3934 2032   2564,-1185.94 2\n+0001f330: 3536 342c 2d31 3039 392e 3233 2032 3536  564,-1099.23 256\n+0001f340: 342c 2d31 3039 392e 3233 2032 3536 342c  4,-1099.23 2564,\n+0001f350: 2d31 3039 392e 3233 2032 3536 342c 2d31  -1099.23 2564,-1\n+0001f360: 3033 342e 3336 2032 3536 342c 2d39 3938  034.36 2564,-998\n+0001f370: 2e35 3720 3235 3731 2e38 362c 2d39 3537  .57 2571.86,-957\n+0001f380: 2e36 3420 3235 3737 2e34 372c 2d39 3332  .64 2577.47,-932\n+0001f390: 2e39 3822 2f3e 0a3c 706f 6c79 676f 6e20  .98\"/>.<polygon \n+0001f3a0: 6669 6c6c 3d22 7265 6422 2073 7472 6f6b  fill=\"red\" strok\n+0001f3b0: 653d 2272 6564 2220 706f 696e 7473 3d22  e=\"red\" points=\"\n+0001f3c0: 3235 3830 2e38 392c 2d39 3333 2e37 2032  2580.89,-933.7 2\n+0001f3d0: 3537 392e 3738 2c2d 3932 332e 3137 2032  579.78,-923.17 2\n+0001f3e0: 3537 342e 3038 2c2d 3933 322e 3120 3235  574.08,-932.1 25\n+0001f3f0: 3830 2e38 392c 2d39 3333 2e37 222f 3e0a  80.89,-933.7\"/>.\n+0001f400: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+0001f410: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d  _src_gromacs_dom\n+0001f420: 6465 6326 2334 353b 2667 743b 6d6f 6475  dec&#45;&gt;modu\n+0001f430: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+0001f440: 6d78 6c69 6220 2d2d 3e0a 3c67 2069 643d  mxlib -->.<g id=\n+0001f450: 2265 6467 6532 3230 2220 636c 6173 733d  \"edge220\" class=\n+0001f460: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+0001f470: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001f480: 735f 646f 6d64 6563 2623 3435 3b26 6774  s_domdec&#45;&gt\n+0001f490: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0001f4a0: 6163 735f 676d 786c 6962 3c2f 7469 746c  acs_gmxlib</titl\n+0001f4b0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+0001f4c0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n+0001f4d0: 6266 6266 2220 643d 224d 3533 342e 3538  bfbf\" d=\"M534.58\n+0001f4e0: 2c2d 3637 312e 3832 4335 3433 2e34 312c  ,-671.82C543.41,\n+0001f4f0: 2d37 3134 2e39 3120 3537 322e 3138 2c2d  -714.91 572.18,-\n+0001f500: 3835 332e 3331 2035 3739 2c2d 3836 302e  853.31 579,-860.\n+0001f510: 3138 2036 3236 2e39 392c 2d39 3038 2e35  18 626.99,-908.5\n+0001f520: 3320 3638 302e 3837 2c2d 3834 362e 3938  3 680.87,-846.98\n+0001f530: 2037 3238 2c2d 3839 362e 3138 2037 3735   728,-896.18 775\n+0001f540: 2e38 322c 2d39 3436 2e31 2037 3038 2e38  .82,-946.1 708.8\n+0001f550: 2c2d 3130 3030 2e32 3420 3735 382c 2d31  ,-1000.24 758,-1\n+0001f560: 3034 382e 3739 2037 3838 2e39 372c 2d31  048.79 788.97,-1\n+0001f570: 3037 392e 3335 2039 3134 2e38 392c 2d31  079.35 914.89,-1\n+0001f580: 3039 312e 3037 2039 3831 2e33 392c 2d31  091.07 981.39,-1\n+0001f590: 3039 352e 3222 2f3e 0a3c 706f 6c79 676f  095.2\"/>.<polygo\n+0001f5a0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n+0001f5b0: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+0001f5c0: 2220 706f 696e 7473 3d22 3938 312e 3334  \" points=\"981.34\n+0001f5d0: 2c2d 3130 3938 2e37 2039 3931 2e35 332c  ,-1098.7 991.53,\n+0001f5e0: 2d31 3039 352e 3820 3938 312e 3735 2c2d  -1095.8 981.75,-\n+0001f5f0: 3130 3931 2e37 3120 3938 312e 3334 2c2d  1091.71 981.34,-\n+0001f600: 3130 3938 2e37 222f 3e0a 3c2f 673e 0a3c  1098.7\"/>.</g>.<\n+0001f610: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+0001f620: 726f 6d61 6373 5f64 6f6d 6465 6326 2334  romacs_domdec&#4\n+0001f630: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0001f640: 5f67 726f 6d61 6373 5f6e 626e 786d 202d  _gromacs_nbnxm -\n+0001f650: 2d3e 0a3c 6720 6964 3d22 6564 6765 3231  ->.<g id=\"edge21\n+0001f660: 3622 2063 6c61 7373 3d22 6564 6765 223e  6\" class=\"edge\">\n+0001f670: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+0001f680: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465  rc_gromacs_domde\n+0001f690: 6326 2334 353b 2667 743b 6d6f 6475 6c65  c&#45;&gt;module\n+0001f6a0: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e  _src_gromacs_nbn\n+0001f6b0: 786d 3c2f 7469 746c 653e 0a3c 7061 7468  xm</title>.<path\n+0001f6c0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+0001f6d0: 6f6b 653d 2272 6564 2220 643d 224d 3531  oke=\"red\" d=\"M51\n+0001f6e0: 322e 3231 2c2d 3636 392e 3439 4334 3838  2.21,-669.49C488\n+0001f6f0: 2e32 352c 2d36 3830 2e32 3220 3434 372e  .25,-680.22 447.\n+0001f700: 3931 2c2d 3639 362e 3936 2034 3138 2e39  91,-696.96 418.9\n+0001f710: 392c 2d37 3038 2e32 222f 3e0a 3c70 6f6c  9,-708.2\"/>.<pol\n+0001f720: 7967 6f6e 2066 696c 6c3d 2272 6564 2220  ygon fill=\"red\" \n+0001f730: 7374 726f 6b65 3d22 7265 6422 2070 6f69  stroke=\"red\" poi\n+0001f740: 6e74 733d 2234 3137 2e33 362c 2d37 3035  nts=\"417.36,-705\n+0001f750: 2e30 3720 3430 392e 3238 2c2d 3731 312e  .07 409.28,-711.\n+0001f760: 3932 2034 3139 2e38 372c 2d37 3131 2e36  92 419.87,-711.6\n+0001f770: 3120 3431 372e 3336 2c2d 3730 352e 3037  1 417.36,-705.07\n+0001f780: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+0001f790: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001f7a0: 5f64 6f6d 6465 6326 2334 353b 2667 743b  _domdec&#45;&gt;\n+0001f7b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001f7c0: 6373 5f68 6172 6477 6172 6520 2d2d 3e0a  cs_hardware -->.\n+0001f7d0: 3c67 2069 643d 2265 6467 6532 3233 2220  <g id=\"edge223\" \n+0001f7e0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+0001f7f0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+0001f800: 6772 6f6d 6163 735f 646f 6d64 6563 2623  gromacs_domdec&#\n+0001f810: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0001f820: 635f 6772 6f6d 6163 735f 6861 7264 7761  c_gromacs_hardwa\n+0001f830: 7265 3c2f 7469 746c 653e 0a3c 7061 7468  re</title>.<path\n+0001f840: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+0001f850: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n+0001f860: 224d 3532 362e 3532 2c2d 3637 312e 3631  \"M526.52,-671.61\n+0001f870: 4335 3132 2e38 2c2d 3730 322e 3833 2034  C512.8,-702.83 4\n+0001f880: 3736 2e38 372c 2d37 3834 2e36 2034 3539  76.87,-784.6 459\n+0001f890: 2e35 372c 2d38 3233 2e39 3622 2f3e 0a3c  .57,-823.96\"/>.<\n+0001f8a0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n+0001f8b0: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n+0001f8c0: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n+0001f8d0: 3435 362e 3333 2c2d 3832 322e 3635 2034  456.33,-822.65 4\n+0001f8e0: 3535 2e35 312c 2d38 3333 2e32 3120 3436  55.51,-833.21 46\n+0001f8f0: 322e 3733 2c2d 3832 352e 3436 2034 3536  2.73,-825.46 456\n+0001f900: 2e33 332c 2d38 3232 2e36 3522 2f3e 0a3c  .33,-822.65\"/>.<\n+0001f910: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+0001f920: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n+0001f930: 6563 2623 3435 3b26 6774 3b6d 6f64 756c  ec&#45;&gt;modul\n+0001f940: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+0001f950: 7479 7065 7320 2d2d 3e0a 3c67 2069 643d  types -->.<g id=\n+0001f960: 2265 6467 6532 3138 2220 636c 6173 733d  \"edge218\" class=\n+0001f970: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+0001f980: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001f990: 735f 646f 6d64 6563 2623 3435 3b26 6774  s_domdec&#45;&gt\n+0001f9a0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0001f9b0: 6163 735f 6d64 7479 7065 733c 2f74 6974  acs_mdtypes</tit\n+0001f9c0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+0001f9d0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n+0001f9e0: 6662 6662 6622 2064 3d22 4d35 3638 2e30  fbfbf\" d=\"M568.0\n+0001f9f0: 382c 2d36 3538 2e33 3743 3637 362e 3638  8,-658.37C676.68\n+0001fa00: 2c2d 3635 372e 3638 2031 3030 332e 3638  ,-657.68 1003.68\n+0001fa10: 2c2d 3636 392e 3231 2031 3139 322c 2d38  ,-669.21 1192,-8\n+0001fa20: 3333 2e33 3120 3132 3530 2e38 362c 2d38  33.31 1250.86,-8\n+0001fa30: 3834 2e36 2031 3231 372e 3736 2c2d 3933  84.6 1217.76,-93\n+0001fa40: 372e 3439 2031 3237 392c 2d39 3835 2e39  7.49 1279,-985.9\n+0001fa50: 3220 3133 3130 2e39 342c 2d31 3031 312e  2 1310.94,-1011.\n+0001fa60: 3138 2031 3335 352e 3638 2c2d 3130 3233  18 1355.68,-1023\n+0001fa70: 2e32 3720 3133 3839 2e31 362c 2d31 3032  .27 1389.16,-102\n+0001fa80: 392e 3036 222f 3e0a 3c70 6f6c 7967 6f6e  9.06\"/>.<polygon\n+0001fa90: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+0001faa0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+0001fab0: 2070 6f69 6e74 733d 2231 3338 382e 3733   points=\"1388.73\n+0001fac0: 2c2d 3130 3332 2e35 3320 3133 3939 2e31  ,-1032.53 1399.1\n+0001fad0: 362c 2d31 3033 302e 3636 2031 3338 392e  6,-1030.66 1389.\n+0001fae0: 3834 2c2d 3130 3235 2e36 3220 3133 3838  84,-1025.62 1388\n+0001faf0: 2e37 332c 2d31 3033 322e 3533 222f 3e0a  .73,-1032.53\"/>.\n+0001fb00: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+0001fb10: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d  _src_gromacs_dom\n+0001fb20: 6465 6326 2334 353b 2667 743b 6d6f 6475  dec&#45;&gt;modu\n+0001fb30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c  le_src_gromacs_l\n+0001fb40: 6973 7465 645f 666f 7263 6573 202d 2d3e  isted_forces -->\n+0001fb50: 0a3c 6720 6964 3d22 6564 6765 3232 3522  .<g id=\"edge225\"\n+0001fb60: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+0001fb70: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+0001fb80: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326  _gromacs_domdec&\n+0001fb90: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001fba0: 7263 5f67 726f 6d61 6373 5f6c 6973 7465  rc_gromacs_liste\n+0001fbb0: 645f 666f 7263 6573 3c2f 7469 746c 653e  d_forces</title>\n+0001fbc0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+0001fbd0: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n+0001fbe0: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n+0001fbf0: 7272 6179 3d22 352c 3222 2064 3d22 4d34  rray=\"5,2\" d=\"M4\n+0001fc00: 3937 2e37 372c 2d36 3533 2e36 3543 3434  97.77,-653.65C44\n+0001fc10: 342e 3934 2c2d 3634 372e 3135 2033 3437  4.94,-647.15 347\n+0001fc20: 2e37 2c2d 3633 312e 3732 2033 3233 2c2d  .7,-631.72 323,-\n+0001fc30: 3630 382e 3720 3236 372e 3135 2c2d 3535  608.7 267.15,-55\n+0001fc40: 362e 3635 2032 3433 2e31 322c 2d33 3332  6.65 243.12,-332\n+0001fc50: 2e35 3820 3238 332c 2d32 3637 2e34 3820  .58 283,-267.48 \n+0001fc60: 3239 342e 3635 2c2d 3234 382e 3437 2033  294.65,-248.47 3\n+0001fc70: 3136 2e33 362c 2d32 3336 2e36 3320 3333  16.36,-236.63 33\n+0001fc80: 372e 3033 2c2d 3232 392e 3431 222f 3e0a  7.03,-229.41\"/>.\n+0001fc90: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+0001fca0: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n+0001fcb0: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n+0001fcc0: 2233 3338 2e32 362c 2d32 3332 2e37 2033  \"338.26,-232.7 3\n+0001fcd0: 3436 2e37 322c 2d32 3236 2e33 3320 3333  46.72,-226.33 33\n+0001fce0: 362e 3133 2c2d 3232 362e 3033 2033 3338  6.13,-226.03 338\n+0001fcf0: 2e32 362c 2d32 3332 2e37 222f 3e0a 3c2f  .26,-232.7\"/>.</\n+0001fd00: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0001fd10: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465  rc_gromacs_domde\n+0001fd20: 6326 2334 353b 2667 743b 6d6f 6475 6c65  c&#45;&gt;module\n+0001fd30: 5f73 7263 5f67 726f 6d61 6373 5f66 696c  _src_gromacs_fil\n+0001fd40: 6569 6f20 2d2d 3e0a 3c67 2069 643d 2265  eio -->.<g id=\"e\n+0001fd50: 6467 6532 3237 2220 636c 6173 733d 2265  dge227\" class=\"e\n+0001fd60: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+0001fd70: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001fd80: 646f 6d64 6563 2623 3435 3b26 6774 3b6d  domdec&#45;&gt;m\n+0001fd90: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001fda0: 735f 6669 6c65 696f 3c2f 7469 746c 653e  s_fileio</title>\n+0001fdb0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+0001fdc0: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n+0001fdd0: 6266 2220 643d 224d 3534 342e 3737 2c2d  bf\" d=\"M544.77,-\n+0001fde0: 3634 352e 3236 4335 3736 2e32 2c2d 3631  645.26C576.2,-61\n+0001fdf0: 362e 3933 2036 3631 2c2d 3534 352e 3734  6.93 661,-545.74\n+0001fe00: 2037 3437 2c2d 3531 382e 3936 2038 3237   747,-518.96 827\n+0001fe10: 2e30 342c 2d34 3934 2e30 3420 3134 3231  .04,-494.04 1421\n+0001fe20: 2e38 392c 2d34 3735 2e38 3920 3135 3737  .89,-475.89 1577\n+0001fe30: 2e37 322c 2d34 3731 2e35 3322 2f3e 0a3c  .72,-471.53\"/>.<\n+0001fe40: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n+0001fe50: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n+0001fe60: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n+0001fe70: 3135 3738 2e32 372c 2d34 3735 2e30 3220  1578.27,-475.02 \n+0001fe80: 3135 3838 2e31 372c 2d34 3731 2e32 3420  1588.17,-471.24 \n+0001fe90: 3135 3738 2e30 382c 2d34 3638 2e30 3220  1578.08,-468.02 \n+0001fea0: 3135 3738 2e32 372c 2d34 3735 2e30 3222  1578.27,-475.02\"\n+0001feb0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+0001fec0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001fed0: 646f 6d64 6563 2623 3435 3b26 6774 3b6d  domdec&#45;&gt;m\n+0001fee0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001fef0: 735f 6577 616c 6420 2d2d 3e0a 3c67 2069  s_ewald -->.<g i\n+0001ff00: 643d 2265 6467 6532 3139 2220 636c 6173  d=\"edge219\" clas\n+0001ff10: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+0001ff20: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+0001ff30: 6163 735f 646f 6d64 6563 2623 3435 3b26  acs_domdec&#45;&\n+0001ff40: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0001ff50: 6f6d 6163 735f 6577 616c 643c 2f74 6974  omacs_ewald</tit\n+0001ff60: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+0001ff70: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265  none\" stroke=\"re\n+0001ff80: 6422 2064 3d22 4d35 3233 2c2d 3637 312e  d\" d=\"M523,-671.\n+0001ff90: 3336 4334 3938 2e34 362c 2d36 3937 2e35  36C498.46,-697.5\n+0001ffa0: 3820 3433 332e 3632 2c2d 3736 322e 3631  8 433.62,-762.61\n+0001ffb0: 2034 3130 2c2d 3833 332e 3331 2033 3936   410,-833.31 396\n+0001ffc0: 2e39 352c 2d38 3732 2e33 3820 3430 352e  .95,-872.38 405.\n+0001ffd0: 3834 2c2d 3932 312e 3032 2034 3130 2e34  84,-921.02 410.4\n+0001ffe0: 352c 2d39 3438 2e39 3322 2f3e 0a3c 706f  5,-948.93\"/>.<po\n+0001fff0: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422  lygon fill=\"red\"\n+00020000: 2073 7472 6f6b 653d 2272 6564 2220 706f   stroke=\"red\" po\n+00020010: 696e 7473 3d22 3430 372e 3031 2c2d 3934  ints=\"407.01,-94\n+00020020: 392e 3534 2034 3132 2e30 312c 2d39 3538  9.54 412.01,-958\n+00020030: 2e38 3920 3431 332e 3932 2c2d 3934 382e  .89 413.92,-948.\n+00020040: 3437 2034 3037 2e30 312c 2d39 3439 2e35  47 407.01,-949.5\n+00020050: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  4\"/>.</g>.<!-- m\n+00020060: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00020070: 735f 646f 6d64 6563 2623 3435 3b26 6774  s_domdec&#45;&gt\n+00020080: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00020090: 6163 735f 696d 6420 2d2d 3e0a 3c67 2069  acs_imd -->.<g i\n+000200a0: 643d 2265 6467 6532 3236 2220 636c 6173  d=\"edge226\" clas\n+000200b0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+000200c0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+000200d0: 6163 735f 646f 6d64 6563 2623 3435 3b26  acs_domdec&#45;&\n+000200e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+000200f0: 6f6d 6163 735f 696d 643c 2f74 6974 6c65  omacs_imd</title\n+00020100: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+00020110: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n+00020120: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n+00020130: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n+00020140: 3532 322e 3331 2c2d 3634 342e 3836 4334  522.31,-644.86C4\n+00020150: 3933 2e30 372c 2d35 3937 2e35 3220 3431  93.07,-597.52 41\n+00020160: 362e 3237 2c2d 3432 342e 3739 2034 3938  6.27,-424.79 498\n+00020170: 2c2d 3333 302e 3335 2035 3232 2e35 362c  ,-330.35 522.56,\n+00020180: 2d33 3031 2e39 3720 3130 3837 2e30 362c  -301.97 1087.06,\n+00020190: 2d32 3338 2e35 2031 3233 372e 3532 2c2d  -238.5 1237.52,-\n+000201a0: 3232 322e 3637 222f 3e0a 3c70 6f6c 7967  222.67\"/>.<polyg\n+000201b0: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n+000201c0: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+000201d0: 6322 2070 6f69 6e74 733d 2231 3233 382e  c\" points=\"1238.\n+000201e0: 3034 2c2d 3232 362e 3134 2031 3234 372e  04,-226.14 1247.\n+000201f0: 3632 2c2d 3232 312e 3632 2031 3233 372e  62,-221.62 1237.\n+00020200: 3331 2c2d 3231 392e 3137 2031 3233 382e  31,-219.17 1238.\n+00020210: 3034 2c2d 3232 362e 3134 222f 3e0a 3c2f  04,-226.14\"/>.</\n+00020220: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00020230: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465  rc_gromacs_domde\n+00020240: 6326 2334 353b 2667 743b 6d6f 6475 6c65  c&#45;&gt;module\n+00020250: 5f73 7263 5f67 726f 6d61 6373 5f67 7075  _src_gromacs_gpu\n+00020260: 5f75 7469 6c73 202d 2d3e 0a3c 6720 6964  _utils -->.<g id\n+00020270: 3d22 6564 6765 3232 3222 2063 6c61 7373  =\"edge222\" class\n+00020280: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00020290: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000202a0: 6373 5f64 6f6d 6465 6326 2334 353b 2667  cs_domdec&#45;&g\n+000202b0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+000202c0: 6d61 6373 5f67 7075 5f75 7469 6c73 3c2f  macs_gpu_utils</\n+000202d0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+000202e0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+000202f0: 2223 6266 6266 6266 2220 643d 224d 3534  \"#bfbfbf\" d=\"M54\n+00020300: 332e 3136 2c2d 3637 312e 3034 4335 3633  3.16,-671.04C563\n+00020310: 2e31 332c 2d36 3932 2e33 3420 3630 352e  .13,-692.34 605.\n+00020320: 3137 2c2d 3733 372e 3139 2036 3239 2e35  17,-737.19 629.5\n+00020330: 312c 2d37 3633 2e31 3522 2f3e 0a3c 706f  1,-763.15\"/>.<po\n+00020340: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n+00020350: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n+00020360: 6266 6266 2220 706f 696e 7473 3d22 3632  bfbf\" points=\"62\n+00020370: 372e 3036 2c2d 3736 352e 3636 2036 3336  7.06,-765.66 636\n+00020380: 2e34 352c 2d37 3730 2e35 3620 3633 322e  .45,-770.56 632.\n+00020390: 3137 2c2d 3736 302e 3837 2036 3237 2e30  17,-760.87 627.0\n+000203a0: 362c 2d37 3635 2e36 3622 2f3e 0a3c 2f67  6,-765.66\"/>.</g\n+000203b0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+000203c0: 635f 6772 6f6d 6163 735f 646f 6d64 6563  c_gromacs_domdec\n+000203d0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+000203e0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n+000203f0: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467  b -->.<g id=\"edg\n+00020400: 6532 3137 2220 636c 6173 733d 2265 6467  e217\" class=\"edg\n+00020410: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00020420: 655f 7372 635f 6772 6f6d 6163 735f 646f  e_src_gromacs_do\n+00020430: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64  mdec&#45;&gt;mod\n+00020440: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00020450: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70  mdlib</title>.<p\n+00020460: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00020470: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00020480: 2064 3d22 4d35 3335 2e37 352c 2d36 3434   d=\"M535.75,-644\n+00020490: 2e36 4335 3531 2e37 2c2d 3631 322e 3538  .6C551.7,-612.58\n+000204a0: 2036 3035 2e35 362c 2d35 3239 2e35 3820   605.56,-529.58 \n+000204b0: 3631 362c 2d35 3138 2e39 3620 3735 352c  616,-518.96 755,\n+000204c0: 2d33 3737 2e35 3320 3939 352e 3039 2c2d  -377.53 995.09,-\n+000204d0: 3330 392e 3533 2031 3038 352e 3433 2c2d  309.53 1085.43,-\n+000204e0: 3238 382e 3933 222f 3e0a 3c70 6f6c 7967  288.93\"/>.<polyg\n+000204f0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n+00020500: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+00020510: 6622 2070 6f69 6e74 733d 2231 3038 362e  f\" points=\"1086.\n+00020520: 3434 2c2d 3239 322e 3239 2031 3039 352e  44,-292.29 1095.\n+00020530: 3435 2c2d 3238 362e 3720 3130 3834 2e39  45,-286.7 1084.9\n+00020540: 322c 2d32 3835 2e34 3520 3130 3836 2e34  2,-285.45 1086.4\n+00020550: 342c 2d32 3932 2e32 3922 2f3e 0a3c 2f67  4,-292.29\"/>.</g\n+00020560: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00020570: 635f 6772 6f6d 6163 735f 646f 6d64 6563  c_gromacs_domdec\n+00020580: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00020590: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n+000205a0: 6e75 7469 6c69 7479 202d 2d3e 0a3c 6720  nutility -->.<g \n+000205b0: 6964 3d22 6564 6765 3232 3122 2063 6c61  id=\"edge221\" cla\n+000205c0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+000205d0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+000205e0: 6d61 6373 5f64 6f6d 6465 6326 2334 353b  macs_domdec&#45;\n+000205f0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00020600: 726f 6d61 6373 5f6d 6472 756e 7574 696c  romacs_mdrunutil\n+00020610: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174  ity</title>.<pat\n+00020620: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00020630: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n+00020640: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n+00020650: 2235 2c32 2220 643d 224d 3439 372e 3938  \"5,2\" d=\"M497.98\n+00020660: 2c2d 3635 332e 3635 4334 3433 2e30 312c  ,-653.65C443.01,\n+00020670: 2d36 3437 2e33 3820 3333 372e 3937 2c2d  -647.38 337.97,-\n+00020680: 3633 322e 3620 3331 302c 2d36 3038 2e37  632.6 310,-608.7\n+00020690: 2031 3930 2e30 342c 2d35 3036 2e32 3120   190.04,-506.21 \n+000206a0: 3133 312e 3532 2c2d 3430 332e 3220 3231  131.52,-403.2 21\n+000206b0: 322c 2d32 3637 2e34 3820 3234 312e 3731  2,-267.48 241.71\n+000206c0: 2c2d 3231 372e 3338 2032 3730 2e39 382c  ,-217.38 270.98,\n+000206d0: 2d32 3230 2e35 3620 3332 372c 2d32 3034  -220.56 327,-204\n+000206e0: 2e36 3120 3436 382e 3035 2c2d 3136 342e  .61 468.05,-164.\n+000206f0: 3434 2038 3339 2e39 362c 2d31 3832 2e31  44 839.96,-182.1\n+00020700: 3420 3938 362c 2d31 3638 2e36 3120 3130  4 986,-168.61 10\n+00020710: 3030 2e33 392c 2d31 3637 2e32 3820 3130  00.39,-167.28 10\n+00020720: 3135 2e39 362c 2d31 3635 2e34 3220 3130  15.96,-165.42 10\n+00020730: 3330 2e32 352c 2d31 3633 2e35 3422 2f3e  30.25,-163.54\"/>\n+00020740: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00020750: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n+00020760: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n+00020770: 3d22 3130 3330 2e39 352c 2d31 3636 2e39  =\"1030.95,-166.9\n+00020780: 3820 3130 3430 2e33 392c 2d31 3632 2e31  8 1040.39,-162.1\n+00020790: 3820 3130 3330 2e30 322c 2d31 3630 2e30  8 1030.02,-160.0\n+000207a0: 3420 3130 3330 2e39 352c 2d31 3636 2e39  4 1030.95,-166.9\n+000207b0: 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  8\"/>.</g>.<!-- m\n+000207c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000207d0: 735f 646f 6d64 6563 2623 3435 3b26 6774  s_domdec&#45;&gt\n+000207e0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+000207f0: 6163 735f 6d64 7275 6e20 2d2d 3e0a 3c67  acs_mdrun -->.<g\n+00020800: 2069 643d 2265 6467 6532 3234 2220 636c   id=\"edge224\" cl\n+00020810: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00020820: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00020830: 6f6d 6163 735f 646f 6d64 6563 2623 3435  omacs_domdec&#45\n+00020840: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00020850: 6772 6f6d 6163 735f 6d64 7275 6e3c 2f74  gromacs_mdrun</t\n+00020860: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00020870: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00020880: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n+00020890: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+000208a0: 643d 224d 3535 362e 3633 2c2d 3634 382e  d=\"M556.63,-648.\n+000208b0: 3238 4335 3632 2c2d 3634 362e 3938 2035  28C562,-646.98 5\n+000208c0: 3637 2e36 342c 2d36 3435 2e37 3320 3537  67.64,-645.73 57\n+000208d0: 332c 2d36 3434 2e37 2036 3837 2e36 372c  3,-644.7 687.67,\n+000208e0: 2d36 3232 2e35 3920 3832 352e 3239 2c2d  -622.59 825.29,-\n+000208f0: 3630 362e 3634 2038 3932 2e34 342c 2d35  606.64 892.44,-5\n+00020900: 3939 2e38 3722 2f3e 0a3c 706f 6c79 676f  99.87\"/>.<polygo\n+00020910: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n+00020920: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+00020930: 2220 706f 696e 7473 3d22 3839 322e 3939  \" points=\"892.99\n+00020940: 2c2d 3630 332e 3333 2039 3032 2e35 392c  ,-603.33 902.59,\n+00020950: 2d35 3938 2e38 3620 3839 322e 332c 2d35  -598.86 892.3,-5\n+00020960: 3936 2e33 3720 3839 322e 3939 2c2d 3630  96.37 892.99,-60\n+00020970: 332e 3333 222f 3e0a 3c2f 673e 0a3c 212d  3.33\"/>.</g>.<!-\n+00020980: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+00020990: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n+000209a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+000209b0: 6f6d 6163 735f 676d 786c 6962 202d 2d3e  omacs_gmxlib -->\n+000209c0: 0a3c 6720 6964 3d22 6564 6765 3233 3222  .<g id=\"edge232\"\n+000209d0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+000209e0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+000209f0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n+00020a00: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00020a10: 635f 6772 6f6d 6163 735f 676d 786c 6962  c_gromacs_gmxlib\n+00020a20: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00020a30: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00020a40: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n+00020a50: 3933 362e 3932 2c2d 3630 382e 3638 4339  936.92,-608.68C9\n+00020a60: 3439 2e36 2c2d 3634 392e 3339 2039 3839  49.6,-649.39 989\n+00020a70: 2e37 332c 2d37 3832 2e37 3920 3130 3038  .73,-782.79 1008\n+00020a80: 2c2d 3839 362e 3138 2031 3031 382e 3239  ,-896.18 1018.29\n+00020a90: 2c2d 3936 302e 3036 2031 3032 312e 3534  ,-960.06 1021.54\n+00020aa0: 2c2d 3130 3336 2e35 3320 3130 3232 2e35  ,-1036.53 1022.5\n+00020ab0: 352c 2d31 3037 342e 3039 222f 3e0a 3c70  5,-1074.09\"/>.<p\n+00020ac0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n+00020ad0: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n+00020ae0: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n+00020af0: 3031 392e 3036 2c2d 3130 3734 2e35 3220  019.06,-1074.52 \n+00020b00: 3130 3232 2e38 2c2d 3130 3834 2e34 3420  1022.8,-1084.44 \n+00020b10: 3130 3236 2e30 362c 2d31 3037 342e 3336  1026.06,-1074.36\n+00020b20: 2031 3031 392e 3036 2c2d 3130 3734 2e35   1019.06,-1074.5\n+00020b30: 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  2\"/>.</g>.<!-- m\n+00020b40: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00020b50: 735f 6d64 7275 6e26 2334 353b 2667 743b  s_mdrun&#45;&gt;\n+00020b60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00020b70: 6373 5f6e 626e 786d 202d 2d3e 0a3c 6720  cs_nbnxm -->.<g \n+00020b80: 6964 3d22 6564 6765 3233 3722 2063 6c61  id=\"edge237\" cla\n+00020b90: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+00020ba0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+00020bb0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n+00020bc0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00020bd0: 6f6d 6163 735f 6e62 6e78 6d3c 2f74 6974  omacs_nbnxm</tit\n+00020be0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00020bf0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n+00020c00: 3832 6663 6322 2073 7472 6f6b 652d 6461  82fcc\" stroke-da\n+00020c10: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n+00020c20: 224d 3930 322e 3032 2c2d 3539 372e 3139  \"M902.02,-597.19\n+00020c30: 4338 3434 2e39 372c 2d35 3939 2e37 3420  C844.97,-599.74 \n+00020c40: 3732 302e 3137 2c2d 3630 392e 3237 2036  720.17,-609.27 6\n+00020c50: 3232 2c2d 3634 342e 3720 3630 302e 3039  22,-644.7 600.09\n+00020c60: 2c2d 3635 322e 3631 2035 3938 2e35 322c  ,-652.61 598.52,\n+00020c70: 2d36 3632 2e36 3620 3537 372c 2d36 3731  -662.66 577,-671\n+00020c80: 2e35 3720 3532 362e 3432 2c2d 3639 322e  .57 526.42,-692.\n+00020c90: 3532 2034 3634 2e34 362c 2d37 3036 2e31  52 464.46,-706.1\n+00020ca0: 3520 3432 342e 3836 2c2d 3731 332e 3436  5 424.86,-713.46\n+00020cb0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+00020cc0: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n+00020cd0: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n+00020ce0: 6e74 733d 2234 3234 2e30 322c 2d37 3130  nts=\"424.02,-710\n+00020cf0: 2e30 3520 3431 342e 382c 2d37 3135 2e32  .05 414.8,-715.2\n+00020d00: 3720 3432 352e 3236 2c2d 3731 362e 3934  7 425.26,-716.94\n+00020d10: 2034 3234 2e30 322c 2d37 3130 2e30 3522   424.02,-710.05\"\n+00020d20: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00020d30: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00020d40: 6d64 7275 6e26 2334 353b 2667 743b 6d6f  mdrun&#45;&gt;mo\n+00020d50: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00020d60: 5f72 616e 646f 6d20 2d2d 3e0a 3c67 2069  _random -->.<g i\n+00020d70: 643d 2265 6467 6532 3338 2220 636c 6173  d=\"edge238\" clas\n+00020d80: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+00020d90: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00020da0: 6163 735f 6d64 7275 6e26 2334 353b 2667  acs_mdrun&#45;&g\n+00020db0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00020dc0: 6d61 6373 5f72 616e 646f 6d3c 2f74 6974  macs_random</tit\n+00020dd0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00020de0: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c  none\" stroke=\"bl\n+00020df0: 6163 6b22 2073 7472 6f6b 652d 6461 7368  ack\" stroke-dash\n+00020e00: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n+00020e10: 3935 342e 3537 2c2d 3538 352e 3535 4339  954.57,-585.55C9\n+00020e20: 3830 2e34 392c 2d35 3734 2e38 3220 3130  80.49,-574.82 10\n+00020e30: 3232 2e31 2c2d 3535 362e 3638 2031 3033  22.1,-556.68 103\n+00020e40: 352c 2d35 3435 2e38 3320 3130 3436 2e31  5,-545.83 1046.1\n+00020e50: 392c 2d35 3336 2e34 3220 3130 3432 2e34  9,-536.42 1042.4\n+00020e60: 322c 2d35 3237 2e38 3920 3130 3534 2c2d  2,-527.89 1054,-\n+00020e70: 3531 382e 3936 2031 3039 302e 3038 2c2d  518.96 1090.08,-\n+00020e80: 3439 312e 3133 2031 3130 372e 3536 2c2d  491.13 1107.56,-\n+00020e90: 3439 392e 3534 2031 3135 302c 2d34 3832  499.54 1150,-482\n+00020ea0: 2e39 3620 3133 3838 2e32 392c 2d33 3839  .96 1388.29,-389\n+00020eb0: 2e38 3520 3136 3733 2e31 332c 2d32 3731  .85 1673.13,-271\n+00020ec0: 2e35 3820 3137 3637 2e31 362c 2d32 3332  .58 1767.16,-232\n+00020ed0: 2e33 3522 2f3e 0a3c 706f 6c79 676f 6e20  .35\"/>.<polygon \n+00020ee0: 6669 6c6c 3d22 626c 6163 6b22 2073 7472  fill=\"black\" str\n+00020ef0: 6f6b 653d 2262 6c61 636b 2220 706f 696e  oke=\"black\" poin\n+00020f00: 7473 3d22 3137 3638 2e37 392c 2d32 3335  ts=\"1768.79,-235\n+00020f10: 2e34 3720 3137 3736 2e36 372c 2d32 3238  .47 1776.67,-228\n+00020f20: 2e33 3820 3137 3636 2e30 392c 2d32 3239  .38 1766.09,-229\n+00020f30: 2e30 3120 3137 3638 2e37 392c 2d32 3335  .01 1768.79,-235\n+00020f40: 2e34 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .47\"/>.</g>.<!--\n+00020f50: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00020f60: 6163 735f 6d64 7275 6e26 2334 353b 2667  acs_mdrun&#45;&g\n+00020f70: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00020f80: 6d61 6373 5f68 6172 6477 6172 6520 2d2d  macs_hardware --\n+00020f90: 3e0a 3c67 2069 643d 2265 6467 6532 3431  >.<g id=\"edge241\n+00020fa0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+00020fb0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+00020fc0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26  c_gromacs_mdrun&\n+00020fd0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00020fe0: 7263 5f67 726f 6d61 6373 5f68 6172 6477  rc_gromacs_hardw\n+00020ff0: 6172 653c 2f74 6974 6c65 3e0a 3c70 6174  are</title>.<pat\n+00021000: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00021010: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n+00021020: 3d22 4d39 3034 2e39 372c 2d36 3031 2e33  =\"M904.97,-601.3\n+00021030: 3243 3836 392e 382c 2d36 3038 2e32 3720  2C869.8,-608.27 \n+00021040: 3830 382e 3135 2c2d 3632 322e 3520 3735  808.15,-622.5 75\n+00021050: 392c 2d36 3434 2e37 2036 3433 2e34 352c  9,-644.7 643.45,\n+00021060: 2d36 3936 2e38 3820 3532 312e 3639 2c2d  -696.88 521.69,-\n+00021070: 3738 382e 3720 3437 322e 3533 2c2d 3832  788.7 472.53,-82\n+00021080: 372e 3536 222f 3e0a 3c70 6f6c 7967 6f6e  7.56\"/>.<polygon\n+00021090: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+000210a0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+000210b0: 2070 6f69 6e74 733d 2234 3730 2e31 332c   points=\"470.13,\n+000210c0: 2d38 3235 2034 3634 2e34 382c 2d38 3333  -825 464.48,-833\n+000210d0: 2e39 3620 3437 342e 3438 2c2d 3833 302e  .96 474.48,-830.\n+000210e0: 3438 2034 3730 2e31 332c 2d38 3235 222f  48 470.13,-825\"/\n+000210f0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00021100: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00021110: 6472 756e 2623 3435 3b26 6774 3b6d 6f64  drun&#45;&gt;mod\n+00021120: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00021130: 7265 7374 7261 696e 7420 2d2d 3e0a 3c67  restraint -->.<g\n+00021140: 2069 643d 2265 6467 6532 3530 2220 636c   id=\"edge250\" cl\n+00021150: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00021160: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00021170: 6f6d 6163 735f 6d64 7275 6e26 2334 353b  omacs_mdrun&#45;\n+00021180: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00021190: 726f 6d61 6373 5f72 6573 7472 6169 6e74  romacs_restraint\n+000211a0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+000211b0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+000211c0: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n+000211d0: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+000211e0: 3222 2064 3d22 4d39 3537 2e33 322c 2d35  2\" d=\"M957.32,-5\n+000211f0: 3836 2e35 3643 3939 302e 3438 2c2d 3537  86.56C990.48,-57\n+00021200: 362e 3034 2031 3035 302e 3135 2c2d 3535  6.04 1050.15,-55\n+00021210: 372e 3132 2031 3038 382e 3634 2c2d 3534  7.12 1088.64,-54\n+00021220: 342e 3932 222f 3e0a 3c70 6f6c 7967 6f6e  4.92\"/>.<polygon\n+00021230: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n+00021240: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00021250: 2070 6f69 6e74 733d 2231 3038 392e 3935   points=\"1089.95\n+00021260: 2c2d 3534 382e 3138 2031 3039 382e 3432  ,-548.18 1098.42\n+00021270: 2c2d 3534 312e 3832 2031 3038 372e 3833  ,-541.82 1087.83\n+00021280: 2c2d 3534 312e 3531 2031 3038 392e 3935  ,-541.51 1089.95\n+00021290: 2c2d 3534 382e 3138 222f 3e0a 3c2f 673e  ,-548.18\"/>.</g>\n+000212a0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+000212b0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n+000212c0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+000212d0: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n+000212e0: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467  s -->.<g id=\"edg\n+000212f0: 6532 3336 2220 636c 6173 733d 2265 6467  e236\" class=\"edg\n+00021300: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00021310: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+00021320: 7275 6e26 2334 353b 2667 743b 6d6f 6475  run&#45;&gt;modu\n+00021330: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00021340: 6474 7970 6573 3c2f 7469 746c 653e 0a3c  dtypes</title>.<\n+00021350: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00021360: 2073 7472 6f6b 653d 2272 6564 2220 643d   stroke=\"red\" d=\n+00021370: 224d 3936 312e 3239 2c2d 3630 302e 3837  \"M961.29,-600.87\n+00021380: 4331 3033 392e 3837 2c2d 3631 342e 3435  C1039.87,-614.45\n+00021390: 2031 3235 352c 2d36 3537 2e33 3520 3132   1255,-657.35 12\n+000213a0: 3535 2c2d 3732 302e 3031 2031 3235 352c  55,-720.01 1255,\n+000213b0: 2d37 3834 2e38 3820 3132 3535 2c2d 3738  -784.88 1255,-78\n+000213c0: 342e 3838 2031 3235 352c 2d37 3834 2e38  4.88 1255,-784.8\n+000213d0: 3820 3132 3535 2c2d 3838 302e 3234 2031  8 1255,-880.24 1\n+000213e0: 3236 352e 3134 2c2d 3931 3620 3133 3330  265.14,-916 1330\n+000213f0: 2c2d 3938 352e 3932 2031 3334 372e 3238  ,-985.92 1347.28\n+00021400: 2c2d 3130 3034 2e35 3620 3133 3733 2e31  ,-1004.56 1373.1\n+00021410: 362c 2d31 3031 362e 3631 2031 3339 342e  6,-1016.61 1394.\n+00021420: 3839 2c2d 3130 3234 2e30 3322 2f3e 0a3c  89,-1024.03\"/>.<\n+00021430: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265  polygon fill=\"re\n+00021440: 6422 2073 7472 6f6b 653d 2272 6564 2220  d\" stroke=\"red\" \n+00021450: 706f 696e 7473 3d22 3133 3933 2e39 352c  points=\"1393.95,\n+00021460: 2d31 3032 372e 3420 3134 3034 2e35 342c  -1027.4 1404.54,\n+00021470: 2d31 3032 372e 3132 2031 3339 362e 3039  -1027.12 1396.09\n+00021480: 2c2d 3130 3230 2e37 3320 3133 3933 2e39  ,-1020.73 1393.9\n+00021490: 352c 2d31 3032 372e 3422 2f3e 0a3c 2f67  5,-1027.4\"/>.</g\n+000214a0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+000214b0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26  c_gromacs_mdrun&\n+000214c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+000214d0: 7263 5f67 726f 6d61 6373 5f6c 6973 7465  rc_gromacs_liste\n+000214e0: 645f 666f 7263 6573 202d 2d3e 0a3c 6720  d_forces -->.<g \n+000214f0: 6964 3d22 6564 6765 3233 3322 2063 6c61  id=\"edge233\" cla\n+00021500: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+00021510: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+00021520: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n+00021530: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00021540: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72  omacs_listed_for\n+00021550: 6365 733c 2f74 6974 6c65 3e0a 3c70 6174  ces</title>.<pat\n+00021560: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00021570: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n+00021580: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n+00021590: 2235 2c32 2220 643d 224d 3930 332e 3738  \"5,2\" d=\"M903.78\n+000215a0: 2c2d 3539 302e 3237 4338 3633 2e38 2c2d  ,-590.27C863.8,-\n+000215b0: 3538 342e 3134 2037 3930 2e33 382c 2d35  584.14 790.38,-5\n+000215c0: 3730 2e34 3420 3733 322c 2d35 3435 2e38  70.44 732,-545.8\n+000215d0: 3320 3730 372e 3831 2c2d 3533 352e 3634  3 707.81,-535.64\n+000215e0: 2036 3434 2e36 392c 2d35 3035 2e39 3420   644.69,-505.94 \n+000215f0: 3633 322c 2d34 3832 2e39 3620 3539 392e  632,-482.96 599.\n+00021600: 3034 2c2d 3432 332e 3331 2036 3837 2e32  04,-423.31 687.2\n+00021610: 322c 2d33 3835 2e33 3720 3634 372c 2d33  2,-385.37 647,-3\n+00021620: 3330 2e33 3520 3631 352e 392c 2d32 3837  30.35 615.9,-287\n+00021630: 2e38 2035 3832 2e32 362c 2d33 3135 2e35  .8 582.26,-315.5\n+00021640: 3520 3533 342c 2d32 3934 2e33 3520 3531  5 534,-294.35 51\n+00021650: 312e 3937 2c2d 3238 342e 3637 2035 3038  1.97,-284.67 508\n+00021660: 2e32 382c 2d32 3738 2e37 2034 3837 2c2d  .28,-278.7 487,-\n+00021670: 3236 372e 3438 2034 3634 2e38 362c 2d32  267.48 464.86,-2\n+00021680: 3535 2e38 3120 3433 392e 3437 2c2d 3234  55.81 439.47,-24\n+00021690: 332e 3532 2034 3139 2e38 312c 2d32 3334  3.52 419.81,-234\n+000216a0: 2e32 3522 2f3e 0a3c 706f 6c79 676f 6e20  .25\"/>.<polygon \n+000216b0: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n+000216c0: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+000216d0: 706f 696e 7473 3d22 3432 312e 322c 2d32  points=\"421.2,-2\n+000216e0: 3331 2e30 3320 3431 302e 3636 2c2d 3232  31.03 410.66,-22\n+000216f0: 392e 3935 2034 3138 2e32 332c 2d32 3337  9.95 418.23,-237\n+00021700: 2e33 3720 3432 312e 322c 2d32 3331 2e30  .37 421.2,-231.0\n+00021710: 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  3\"/>.</g>.<!-- m\n+00021720: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00021730: 735f 6d64 7275 6e26 2334 353b 2667 743b  s_mdrun&#45;&gt;\n+00021740: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00021750: 6373 5f65 7373 656e 7469 616c 6479 6e61  cs_essentialdyna\n+00021760: 6d69 6373 202d 2d3e 0a3c 6720 6964 3d22  mics -->.<g id=\"\n+00021770: 6564 6765 3234 3422 2063 6c61 7373 3d22  edge244\" class=\"\n+00021780: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00021790: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000217a0: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d  _mdrun&#45;&gt;m\n+000217b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000217c0: 735f 6573 7365 6e74 6961 6c64 796e 616d  s_essentialdynam\n+000217d0: 6963 733c 2f74 6974 6c65 3e0a 3c70 6174  ics</title>.<pat\n+000217e0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+000217f0: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n+00021800: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n+00021810: 2235 2c32 2220 643d 224d 3932 362e 3933  \"5,2\" d=\"M926.93\n+00021820: 2c2d 3538 312e 3737 4339 3035 2e31 352c  ,-581.77C905.15,\n+00021830: 2d35 3336 2e32 2038 3333 2e31 382c 2d33  -536.2 833.18,-3\n+00021840: 3739 2e30 3920 3835 322c 2d33 3330 2e33  79.09 852,-330.3\n+00021850: 3520 3836 372e 3131 2c2d 3239 312e 3220  5 867.11,-291.2 \n+00021860: 3930 332e 312c 2d32 3537 2e33 3220 3932  903.1,-257.32 92\n+00021870: 372e 3737 2c2d 3233 372e 3533 222f 3e0a  7.77,-237.53\"/>.\n+00021880: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+00021890: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n+000218a0: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n+000218b0: 2239 3239 2e39 322c 2d32 3430 2e32 3820  \"929.92,-240.28 \n+000218c0: 3933 352e 3635 2c2d 3233 312e 3337 2039  935.65,-231.37 9\n+000218d0: 3235 2e36 312c 2d32 3334 2e37 3720 3932  25.61,-234.77 92\n+000218e0: 392e 3932 2c2d 3234 302e 3238 222f 3e0a  9.92,-240.28\"/>.\n+000218f0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+00021900: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472  _src_gromacs_mdr\n+00021910: 756e 2623 3435 3b26 6774 3b6d 6f64 756c  un&#45;&gt;modul\n+00021920: 655f 7372 635f 6772 6f6d 6163 735f 6669  e_src_gromacs_fi\n+00021930: 6c65 696f 202d 2d3e 0a3c 6720 6964 3d22  leio -->.<g id=\"\n+00021940: 6564 6765 3233 3122 2063 6c61 7373 3d22  edge231\" class=\"\n+00021950: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00021960: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00021970: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d  _mdrun&#45;&gt;m\n+00021980: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00021990: 735f 6669 6c65 696f 3c2f 7469 746c 653e  s_fileio</title>\n+000219a0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+000219b0: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n+000219c0: 6266 2220 643d 224d 3935 362e 3235 2c2d  bf\" d=\"M956.25,-\n+000219d0: 3538 362e 3333 4339 3836 2e35 342c 2d35  586.33C986.54,-5\n+000219e0: 3735 2e37 3620 3130 3337 2e35 382c 2d35  75.76 1037.58,-5\n+000219f0: 3537 2e30 3920 3130 3534 2c2d 3534 352e  57.09 1054,-545.\n+00021a00: 3833 2031 3036 372e 3435 2c2d 3533 362e  83 1067.45,-536.\n+00021a10: 3631 2031 3036 342e 3335 2c2d 3532 362e  61 1064.35,-526.\n+00021a20: 3134 2031 3037 392c 2d35 3138 2e39 3620  14 1079,-518.96 \n+00021a30: 3131 3637 2e30 312c 2d34 3735 2e38 3220  1167.01,-475.82 \n+00021a40: 3134 3730 2e37 352c 2d34 3730 2e38 3620  1470.75,-470.86 \n+00021a50: 3135 3737 2e35 322c 2d34 3730 2e34 3722  1577.52,-470.47\"\n+00021a60: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00021a70: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n+00021a80: 653d 2223 6266 6266 6266 2220 706f 696e  e=\"#bfbfbf\" poin\n+00021a90: 7473 3d22 3135 3737 2e38 322c 2d34 3733  ts=\"1577.82,-473\n+00021aa0: 2e39 3720 3135 3837 2e38 312c 2d34 3730  .97 1587.81,-470\n+00021ab0: 2e34 3520 3135 3737 2e38 2c2d 3436 362e  .45 1577.8,-466.\n+00021ac0: 3937 2031 3537 372e 3832 2c2d 3437 332e  97 1577.82,-473.\n+00021ad0: 3937 222f 3e0a 3c2f 673e 0a3c 212d 2d20  97\"/>.</g>.<!-- \n+00021ae0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00021af0: 6373 5f6d 6472 756e 2623 3435 3b26 6774  cs_mdrun&#45;&gt\n+00021b00: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00021b10: 6163 735f 636f 6d70 6174 202d 2d3e 0a3c  acs_compat -->.<\n+00021b20: 6720 6964 3d22 6564 6765 3234 3022 2063  g id=\"edge240\" c\n+00021b30: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00021b40: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00021b50: 726f 6d61 6373 5f6d 6472 756e 2623 3435  romacs_mdrun&#45\n+00021b60: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00021b70: 6772 6f6d 6163 735f 636f 6d70 6174 3c2f  gromacs_compat</\n+00021b80: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00021b90: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00021ba0: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+00021bb0: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+00021bc0: 2064 3d22 4d39 3232 2e37 342c 2d35 3832   d=\"M922.74,-582\n+00021bd0: 2e34 3843 3931 342e 3831 2c2d 3537 3320  .48C914.81,-573 \n+00021be0: 3930 332e 3839 2c2d 3535 392e 3132 2038  903.89,-559.12 8\n+00021bf0: 3936 2c2d 3534 352e 3833 2038 3439 2e31  96,-545.83 849.1\n+00021c00: 362c 2d34 3636 2e39 3220 3833 372e 3739  6,-466.92 837.79\n+00021c10: 2c2d 3434 352e 3239 2038 3132 2c2d 3335  ,-445.29 812,-35\n+00021c20: 372e 3232 2038 3030 2e33 372c 2d33 3137  7.22 800.37,-317\n+00021c30: 2e35 3220 3739 342e 3932 2c2d 3236 392e  .52 794.92,-269.\n+00021c40: 3420 3739 322e 3537 2c2d 3234 312e 3722  4 792.57,-241.7\"\n+00021c50: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00021c60: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+00021c70: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n+00021c80: 7473 3d22 3739 362e 3034 2c2d 3234 312e  ts=\"796.04,-241.\n+00021c90: 3138 2037 3931 2e37 372c 2d32 3331 2e34  18 791.77,-231.4\n+00021ca0: 3820 3738 392e 3036 2c2d 3234 312e 3733  8 789.06,-241.73\n+00021cb0: 2037 3936 2e30 342c 2d32 3431 2e31 3822   796.04,-241.18\"\n+00021cc0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00021cd0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00021ce0: 6d64 7275 6e26 2334 353b 2667 743b 6d6f  mdrun&#45;&gt;mo\n+00021cf0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00021d00: 5f65 7761 6c64 202d 2d3e 0a3c 6720 6964  _ewald -->.<g id\n+00021d10: 3d22 6564 6765 3233 3022 2063 6c61 7373  =\"edge230\" class\n+00021d20: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00021d30: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00021d40: 6373 5f6d 6472 756e 2623 3435 3b26 6774  cs_mdrun&#45;&gt\n+00021d50: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00021d60: 6163 735f 6577 616c 643c 2f74 6974 6c65  acs_ewald</title\n+00021d70: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+00021d80: 6e65 2220 7374 726f 6b65 3d22 7265 6422  ne\" stroke=\"red\"\n+00021d90: 2064 3d22 4d39 3237 2e30 312c 2d36 3038   d=\"M927.01,-608\n+00021da0: 2e37 3443 3930 362e 3037 2c2d 3635 312e  .74C906.07,-651.\n+00021db0: 3035 2038 3331 2e36 362c 2d37 3930 2e32  05 831.66,-790.2\n+00021dc0: 3820 3732 382c 2d38 3630 2e31 3820 3637  8 728,-860.18 67\n+00021dd0: 392e 3336 2c2d 3839 322e 3938 2036 3531  9.36,-892.98 651\n+00021de0: 2e30 352c 2d38 3635 2e35 3720 3630 312c  .05,-865.57 601,\n+00021df0: 2d38 3936 2e31 3820 3538 372e 3038 2c2d  -896.18 587.08,-\n+00021e00: 3930 342e 3639 2035 3839 2e38 382c 2d39  904.69 589.88,-9\n+00021e10: 3134 2e34 3820 3537 362c 2d39 3233 2e30  14.48 576,-923.0\n+00021e20: 3520 3533 362e 3431 2c2d 3934 372e 3531  5 536.41,-947.51\n+00021e30: 2034 3833 2e38 362c 2d39 3630 2e31 3420   483.86,-960.14 \n+00021e40: 3434 382e 3831 2c2d 3936 362e 3238 222f  448.81,-966.28\"/\n+00021e50: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00021e60: 2272 6564 2220 7374 726f 6b65 3d22 7265  \"red\" stroke=\"re\n+00021e70: 6422 2070 6f69 6e74 733d 2234 3437 2e38  d\" points=\"447.8\n+00021e80: 322c 2d39 3632 2e39 2034 3338 2e35 332c  2,-962.9 438.53,\n+00021e90: 2d39 3637 2e39 3820 3434 382e 3936 2c2d  -967.98 448.96,-\n+00021ea0: 3936 392e 3820 3434 372e 3832 2c2d 3936  969.8 447.82,-96\n+00021eb0: 322e 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d  2.9\"/>.</g>.<!--\n+00021ec0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00021ed0: 6163 735f 6d64 7275 6e26 2334 353b 2667  acs_mdrun&#45;&g\n+00021ee0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00021ef0: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75  macs_modularsimu\n+00021f00: 6c61 746f 7220 2d2d 3e0a 3c67 2069 643d  lator -->.<g id=\n+00021f10: 2265 6467 6532 3437 2220 636c 6173 733d  \"edge247\" class=\n+00021f20: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+00021f30: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00021f40: 735f 6d64 7275 6e26 2334 353b 2667 743b  s_mdrun&#45;&gt;\n+00021f50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00021f60: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61  cs_modularsimula\n+00021f70: 746f 723c 2f74 6974 6c65 3e0a 3c70 6174  tor</title>.<pat\n+00021f80: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00021f90: 726f 6b65 3d22 7265 6422 2064 3d22 4d39  roke=\"red\" d=\"M9\n+00021fa0: 3239 2e39 342c 2d35 3831 2e37 3343 3932  29.94,-581.73C92\n+00021fb0: 372e 3433 2c2d 3535 302e 3636 2039 3330  7.43,-550.66 930\n+00021fc0: 2e35 372c 2d34 3639 2e37 3220 3933 352e  .57,-469.72 935.\n+00021fd0: 3435 2c2d 3433 302e 3133 222f 3e0a 3c70  45,-430.13\"/>.<p\n+00021fe0: 6f6c 7967 6f6e 2066 696c 6c3d 2272 6564  olygon fill=\"red\n+00021ff0: 2220 7374 726f 6b65 3d22 7265 6422 2070  \" stroke=\"red\" p\n+00022000: 6f69 6e74 733d 2239 3338 2e39 332c 2d34  oints=\"938.93,-4\n+00022010: 3330 2e35 3320 3933 362e 3838 2c2d 3432  30.53 936.88,-42\n+00022020: 302e 3133 2039 3332 2c2d 3432 392e 3534  0.13 932,-429.54\n+00022030: 2039 3338 2e39 332c 2d34 3330 2e35 3322   938.93,-430.53\"\n+00022040: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00022050: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00022060: 6d64 7275 6e26 2334 353b 2667 743b 6d6f  mdrun&#45;&gt;mo\n+00022070: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00022080: 5f69 6d64 202d 2d3e 0a3c 6720 6964 3d22  _imd -->.<g id=\"\n+00022090: 6564 6765 3234 3222 2063 6c61 7373 3d22  edge242\" class=\"\n+000220a0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+000220b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000220c0: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d  _mdrun&#45;&gt;m\n+000220d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000220e0: 735f 696d 643c 2f74 6974 6c65 3e0a 3c70  s_imd</title>.<p\n+000220f0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00022100: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00022110: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n+00022120: 793d 2235 2c32 2220 643d 224d 3935 312e  y=\"5,2\" d=\"M951.\n+00022130: 3936 2c2d 3538 342e 3537 4339 3639 2e30  96,-584.57C969.0\n+00022140: 362c 2d35 3735 2e34 3820 3939 342e 3538  6,-575.48 994.58\n+00022150: 2c2d 3536 312e 3035 2031 3031 352c 2d35  ,-561.05 1015,-5\n+00022160: 3435 2e38 3320 3130 3239 2e30 392c 2d35  45.83 1029.09,-5\n+00022170: 3335 2e33 3320 3130 3239 2e31 312c 2d35  35.33 1029.11,-5\n+00022180: 3238 2e33 2031 3034 342c 2d35 3138 2e39  28.3 1044,-518.9\n+00022190: 3620 3130 3831 2e32 2c2d 3439 352e 3633  6 1081.2,-495.63\n+000221a0: 2031 3130 352e 3132 2c2d 3531 342e 3138   1105.12,-514.18\n+000221b0: 2031 3133 362c 2d34 3832 2e39 3620 3131   1136,-482.96 11\n+000221c0: 3636 2c2d 3435 322e 3634 2031 3135 312e  66,-452.64 1151.\n+000221d0: 3434 2c2d 3433 312e 3632 2031 3137 302c  44,-431.62 1170,\n+000221e0: 2d33 3933 2e32 3220 3131 3938 2e30 342c  -393.22 1198.04,\n+000221f0: 2d33 3335 2e32 3120 3132 3339 2e31 312c  -335.21 1239.11,\n+00022200: 2d32 3731 2e31 3620 3132 3630 2e32 372c  -271.16 1260.27,\n+00022210: 2d32 3339 2e33 3322 2f3e 0a3c 706f 6c79  -239.33\"/>.<poly\n+00022220: 676f 6e20 6669 6c6c 3d22 2332 3832 6663  gon fill=\"#282fc\n+00022230: 6322 2073 7472 6f6b 653d 2223 3238 3266  c\" stroke=\"#282f\n+00022240: 6363 2220 706f 696e 7473 3d22 3132 3633  cc\" points=\"1263\n+00022250: 2e32 372c 2d32 3431 2e31 3420 3132 3635  .27,-241.14 1265\n+00022260: 2e39 332c 2d32 3330 2e38 3820 3132 3537  .93,-230.88 1257\n+00022270: 2e34 362c 2d32 3337 2e32 3520 3132 3633  .46,-237.25 1263\n+00022280: 2e32 372c 2d32 3431 2e31 3422 2f3e 0a3c  .27,-241.14\"/>.<\n+00022290: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+000222a0: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n+000222b0: 6e26 2334 353b 2667 743b 6d6f 6475 6c65  n&#45;&gt;module\n+000222c0: 5f73 7263 5f67 726f 6d61 6373 5f67 7075  _src_gromacs_gpu\n+000222d0: 5f75 7469 6c73 202d 2d3e 0a3c 6720 6964  _utils -->.<g id\n+000222e0: 3d22 6564 6765 3234 3522 2063 6c61 7373  =\"edge245\" class\n+000222f0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00022300: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00022310: 6373 5f6d 6472 756e 2623 3435 3b26 6774  cs_mdrun&#45;&gt\n+00022320: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00022330: 6163 735f 6770 755f 7574 696c 733c 2f74  acs_gpu_utils</t\n+00022340: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00022350: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00022360: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n+00022370: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+00022380: 643d 224d 3930 362e 352c 2d36 3032 2e34  d=\"M906.5,-602.4\n+00022390: 3143 3837 382e 3233 2c2d 3630 392e 3731  1C878.23,-609.71\n+000223a0: 2038 3332 2e38 332c 2d36 3233 2e36 3120   832.83,-623.61 \n+000223b0: 3739 382c 2d36 3434 2e37 2037 3432 2e39  798,-644.7 742.9\n+000223c0: 312c 2d36 3738 2e30 3620 3639 302e 3338  1,-678.06 690.38\n+000223d0: 2c2d 3733 332e 3737 2036 3634 2e35 382c  ,-733.77 664.58,\n+000223e0: 2d37 3633 2e32 3322 2f3e 0a3c 706f 6c79  -763.23\"/>.<poly\n+000223f0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663  gon fill=\"#282fc\n+00022400: 6322 2073 7472 6f6b 653d 2223 3238 3266  c\" stroke=\"#282f\n+00022410: 6363 2220 706f 696e 7473 3d22 3636 312e  cc\" points=\"661.\n+00022420: 3933 2c2d 3736 302e 3935 2036 3538 2e30  93,-760.95 658.0\n+00022430: 332c 2d37 3730 2e38 2036 3637 2e32 322c  3,-770.8 667.22,\n+00022440: 2d37 3635 2e35 3320 3636 312e 3933 2c2d  -765.53 661.93,-\n+00022450: 3736 302e 3935 222f 3e0a 3c2f 673e 0a3c  760.95\"/>.</g>.<\n+00022460: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00022470: 726f 6d61 6373 5f6d 6472 756e 2623 3435  romacs_mdrun&#45\n+00022480: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00022490: 6772 6f6d 6163 735f 6d64 6c69 6220 2d2d  gromacs_mdlib --\n+000224a0: 3e0a 3c67 2069 643d 2265 6467 6532 3334  >.<g id=\"edge234\n+000224b0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+000224c0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+000224d0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26  c_gromacs_mdrun&\n+000224e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+000224f0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n+00022500: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00022510: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00022520: 653d 2272 6564 2220 643d 224d 3934 382e  e=\"red\" d=\"M948.\n+00022530: 3133 2c2d 3538 332e 3336 4339 3631 2e31  13,-583.36C961.1\n+00022540: 322c 2d35 3733 2e38 3220 3938 302e 322c  2,-573.82 980.2,\n+00022550: 2d35 3539 2e34 3120 3939 362c 2d35 3435  -559.41 996,-545\n+00022560: 2e38 3320 3130 3039 2e30 382c 2d35 3334  .83 1009.08,-534\n+00022570: 2e35 3920 3130 3039 2e33 332c 2d35 3238  .59 1009.33,-528\n+00022580: 2e30 3320 3130 3234 2c2d 3531 382e 3936  .03 1024,-518.96\n+00022590: 2031 3036 342e 3534 2c2d 3439 332e 3931   1064.54,-493.91\n+000225a0: 2031 3039 352e 3133 2c2d 3532 302e 3039   1095.13,-520.09\n+000225b0: 2031 3132 352c 2d34 3832 2e39 3620 3131   1125,-482.96 11\n+000225c0: 3436 2e33 372c 2d34 3536 2e33 3920 3131  46.37,-456.39 11\n+000225d0: 3437 2e36 332c 2d33 3633 2e38 2031 3134  47.63,-363.8 114\n+000225e0: 312c 2d33 3330 2e33 3520 3131 3339 2e31  1,-330.35 1139.1\n+000225f0: 392c 2d33 3231 2e32 3120 3131 3335 2e36  9,-321.21 1135.6\n+00022600: 332c 2d33 3131 2e36 3420 3131 3332 2e30  3,-311.64 1132.0\n+00022610: 312c 2d33 3033 2e34 3422 2f3e 0a3c 706f  1,-303.44\"/>.<po\n+00022620: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422  lygon fill=\"red\"\n+00022630: 2073 7472 6f6b 653d 2272 6564 2220 706f   stroke=\"red\" po\n+00022640: 696e 7473 3d22 3131 3335 2e31 2c2d 3330  ints=\"1135.1,-30\n+00022650: 312e 3739 2031 3132 372e 3637 2c2d 3239  1.79 1127.67,-29\n+00022660: 342e 3234 2031 3132 382e 3737 2c2d 3330  4.24 1128.77,-30\n+00022670: 342e 3737 2031 3133 352e 312c 2d33 3031  4.77 1135.1,-301\n+00022680: 2e37 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .79\"/>.</g>.<!--\n 00022690: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-000226a0: 6163 735f 696d 6426 2334 353b 2667 743b  acs_imd&#45;&gt;\n-000226b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000226c0: 6373 5f6d 646c 6962 202d 2d3e 0a3c 6720  cs_mdlib -->.<g \n-000226d0: 6964 3d22 6564 6765 3233 3922 2063 6c61  id=\"edge239\" cla\n-000226e0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-000226f0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00022700: 6d61 6373 5f69 6d64 2623 3435 3b26 6774  macs_imd&#45;&gt\n-00022710: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00022720: 6163 735f 6d64 6c69 623c 2f74 6974 6c65  acs_mdlib</title\n-00022730: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00022740: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n-00022750: 6662 6622 2064 3d22 4d31 3537 352e 3332  fbf\" d=\"M1575.32\n-00022760: 2c2d 3136 302e 3733 4331 3531 302e 3136  ,-160.73C1510.16\n-00022770: 2c2d 3137 312e 3739 2031 3333 332e 3939  ,-171.79 1333.99\n-00022780: 2c2d 3230 302e 3033 2031 3235 362e 3835  ,-200.03 1256.85\n-00022790: 2c2d 3231 312e 3738 222f 3e0a 3c70 6f6c  ,-211.78\"/>.<pol\n-000227a0: 7967 6f6e 2066 696c 6c3d 2223 6266 6266  ygon fill=\"#bfbf\n-000227b0: 6266 2220 7374 726f 6b65 3d22 2362 6662  bf\" stroke=\"#bfb\n-000227c0: 6662 6622 2070 6f69 6e74 733d 2231 3235  fbf\" points=\"125\n-000227d0: 362e 3031 2c2d 3230 382e 3337 2031 3234  6.01,-208.37 124\n-000227e0: 362e 3635 2c2d 3231 332e 3333 2031 3235  6.65,-213.33 125\n-000227f0: 372e 3036 2c2d 3231 352e 3239 2031 3235  7.06,-215.29 125\n-00022800: 362e 3031 2c2d 3230 382e 3337 222f 3e0a  6.01,-208.37\"/>.\n-00022810: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00022820: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64  _src_gromacs_imd\n-00022830: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00022840: 7372 635f 6772 6f6d 6163 735f 676d 786c  src_gromacs_gmxl\n-00022850: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564  ib -->.<g id=\"ed\n-00022860: 6765 3233 3822 2063 6c61 7373 3d22 6564  ge238\" class=\"ed\n-00022870: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-00022880: 6c65 5f73 7263 5f67 726f 6d61 6373 5f69  le_src_gromacs_i\n-00022890: 6d64 2623 3435 3b26 6774 3b6d 6f64 756c  md&#45;&gt;modul\n-000228a0: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n-000228b0: 786c 6962 3c2f 7469 746c 653e 0a3c 7061  xlib</title>.<pa\n-000228c0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-000228d0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-000228e0: 643d 224d 3136 3030 2e33 2c2d 3136 382e  d=\"M1600.3,-168.\n-000228f0: 3831 4331 3630 302e 3434 2c2d 3138 332e  81C1600.44,-183.\n-00022900: 3837 2031 3539 392e 3937 2c2d 3230 392e  87 1599.97,-209.\n-00022910: 3731 2031 3539 362c 2d32 3331 2e34 3820  71 1596,-231.48 \n-00022920: 3135 3930 2e37 342c 2d32 3630 2e33 3320  1590.74,-260.33 \n-00022930: 3135 3838 2e34 362c 2d32 3637 2e38 3120  1588.46,-267.81 \n-00022940: 3135 3736 2c2d 3239 342e 3335 2031 3439  1576,-294.35 149\n-00022950: 362e 3334 2c2d 3436 342e 3131 2031 3335  6.34,-464.11 135\n-00022960: 332e 3337 2c2d 3634 322e 3032 2031 3330  3.37,-642.02 130\n-00022970: 342e 3733 2c2d 3730 302e 3238 222f 3e0a  4.73,-700.28\"/>.\n-00022980: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-00022990: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n-000229a0: 2362 6662 6662 6622 2070 6f69 6e74 733d  #bfbfbf\" points=\n-000229b0: 2231 3330 322e 3031 2c2d 3639 382e 3039  \"1302.01,-698.09\n-000229c0: 2031 3239 382e 3236 2c2d 3730 372e 3939   1298.26,-707.99\n-000229d0: 2031 3330 372e 3337 2c2d 3730 322e 3539   1307.37,-702.59\n-000229e0: 2031 3330 322e 3031 2c2d 3639 382e 3039   1302.01,-698.09\n-000229f0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-00022a00: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00022a10: 5f69 6d64 2623 3435 3b26 6774 3b6d 6f64  _imd&#45;&gt;mod\n-00022a20: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00022a30: 6d64 7479 7065 7320 2d2d 3e0a 3c67 2069  mdtypes -->.<g i\n-00022a40: 643d 2265 6467 6532 3431 2220 636c 6173  d=\"edge241\" clas\n-00022a50: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-00022a60: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00022a70: 6163 735f 696d 6426 2334 353b 2667 743b  acs_imd&#45;&gt;\n-00022a80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00022a90: 6373 5f6d 6474 7970 6573 3c2f 7469 746c  cs_mdtypes</titl\n-00022aa0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00022ab0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n-00022ac0: 6266 6266 2220 643d 224d 3135 3836 2e33  bfbf\" d=\"M1586.3\n-00022ad0: 332c 2d31 3636 2e38 3943 3135 3035 2e31  3,-166.89C1505.1\n-00022ae0: 342c 2d32 3330 2e35 3420 3130 3836 2e34  4,-230.54 1086.4\n-00022af0: 322c 2d35 3538 2e38 3120 3938 332e 3735  2,-558.81 983.75\n-00022b00: 2c2d 3633 392e 3322 2f3e 0a3c 706f 6c79  ,-639.3\"/>.<poly\n-00022b10: 676f 6e20 6669 6c6c 3d22 2362 6662 6662  gon fill=\"#bfbfb\n-00022b20: 6622 2073 7472 6f6b 653d 2223 6266 6266  f\" stroke=\"#bfbf\n-00022b30: 6266 2220 706f 696e 7473 3d22 3938 312e  bf\" points=\"981.\n-00022b40: 3537 2c2d 3633 362e 3537 2039 3735 2e38  57,-636.57 975.8\n-00022b50: 352c 2d36 3435 2e34 3920 3938 352e 3838  5,-645.49 985.88\n-00022b60: 2c2d 3634 322e 3037 2039 3831 2e35 372c  ,-642.07 981.57,\n-00022b70: 2d36 3336 2e35 3722 2f3e 0a3c 2f67 3e0a  -636.57\"/>.</g>.\n-00022b80: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00022b90: 6772 6f6d 6163 735f 696d 6426 2334 353b  gromacs_imd&#45;\n-00022ba0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00022bb0: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69  romacs_commandli\n-00022bc0: 6e65 202d 2d3e 0a3c 6720 6964 3d22 6564  ne -->.<g id=\"ed\n-00022bd0: 6765 3233 3522 2063 6c61 7373 3d22 6564  ge235\" class=\"ed\n-00022be0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-00022bf0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f69  le_src_gromacs_i\n-00022c00: 6d64 2623 3435 3b26 6774 3b6d 6f64 756c  md&#45;&gt;modul\n-00022c10: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n-00022c20: 6d6d 616e 646c 696e 653c 2f74 6974 6c65  mmandline</title\n-00022c30: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00022c40: 6e65 2220 7374 726f 6b65 3d22 626c 6163  ne\" stroke=\"blac\n-00022c50: 6b22 2073 7472 6f6b 652d 6461 7368 6172  k\" stroke-dashar\n-00022c60: 7261 793d 2235 2c32 2220 643d 224d 3136  ray=\"5,2\" d=\"M16\n-00022c70: 3234 2e33 362c 2d31 3439 2e33 4331 3637  24.36,-149.3C167\n-00022c80: 342e 3131 2c2d 3133 392e 3334 2031 3738  4.11,-139.34 178\n-00022c90: 382e 3235 2c2d 3131 362e 3438 2031 3835  8.25,-116.48 185\n-00022ca0: 342e 332c 2d31 3033 2e32 3622 2f3e 0a3c  4.3,-103.26\"/>.<\n-00022cb0: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c  polygon fill=\"bl\n-00022cc0: 6163 6b22 2073 7472 6f6b 653d 2262 6c61  ack\" stroke=\"bla\n-00022cd0: 636b 2220 706f 696e 7473 3d22 3138 3535  ck\" points=\"1855\n-00022ce0: 2e33 352c 2d31 3036 2e36 3220 3138 3634  .35,-106.62 1864\n-00022cf0: 2e34 372c 2d31 3031 2e32 3220 3138 3533  .47,-101.22 1853\n-00022d00: 2e39 372c 2d39 392e 3735 2031 3835 352e  .97,-99.75 1855.\n-00022d10: 3335 2c2d 3130 362e 3632 222f 3e0a 3c2f  35,-106.62\"/>.</\n-00022d20: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00022d30: 7263 5f67 726f 6d61 6373 5f69 6d64 2623  rc_gromacs_imd&#\n-00022d40: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00022d50: 635f 6772 6f6d 6163 735f 6d64 7275 6e75  c_gromacs_mdrunu\n-00022d60: 7469 6c69 7479 202d 2d3e 0a3c 6720 6964  tility -->.<g id\n-00022d70: 3d22 6564 6765 3234 3022 2063 6c61 7373  =\"edge240\" class\n-00022d80: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-00022d90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00022da0: 6373 5f69 6d64 2623 3435 3b26 6774 3b6d  cs_imd&#45;&gt;m\n-00022db0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00022dc0: 735f 6d64 7275 6e75 7469 6c69 7479 3c2f  s_mdrunutility</\n-00022dd0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00022de0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-00022df0: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-00022e00: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n-00022e10: 2064 3d22 4d31 3539 382e 3736 2c2d 3136   d=\"M1598.76,-16\n-00022e20: 382e 3637 4331 3539 352e 3837 2c2d 3139  8.67C1595.87,-19\n-00022e30: 332e 3735 2031 3538 372e 3137 2c2d 3235  3.75 1587.17,-25\n-00022e40: 312e 3439 2031 3536 352c 2d32 3934 2e33  1.49 1565,-294.3\n-00022e50: 3520 3135 3136 2e35 312c 2d33 3838 2e31  5 1516.51,-388.1\n-00022e60: 2031 3432 332e 3535 2c2d 3437 352e 3632   1423.55,-475.62\n-00022e70: 2031 3338 312e 3131 2c2d 3531 322e 3732   1381.11,-512.72\n-00022e80: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-00022e90: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n-00022ea0: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n-00022eb0: 6e74 733d 2231 3337 382e 362c 2d35 3130  nts=\"1378.6,-510\n-00022ec0: 2e32 3620 3133 3733 2e33 332c 2d35 3139  .26 1373.33,-519\n-00022ed0: 2e34 3520 3133 3833 2e31 382c 2d35 3135  .45 1383.18,-515\n-00022ee0: 2e35 3620 3133 3738 2e36 2c2d 3531 302e  .56 1378.6,-510.\n-00022ef0: 3236 222f 3e0a 3c2f 673e 0a3c 212d 2d20  26\"/>.</g>.<!-- \n-00022f00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00022f10: 6373 5f69 6d64 2623 3435 3b26 6774 3b6d  cs_imd&#45;&gt;m\n-00022f20: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00022f30: 735f 6669 6c65 696f 202d 2d3e 0a3c 6720  s_fileio -->.<g \n-00022f40: 6964 3d22 6564 6765 3233 3722 2063 6c61  id=\"edge237\" cla\n-00022f50: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00022f60: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00022f70: 6d61 6373 5f69 6d64 2623 3435 3b26 6774  macs_imd&#45;&gt\n-00022f80: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00022f90: 6163 735f 6669 6c65 696f 3c2f 7469 746c  acs_fileio</titl\n-00022fa0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00022fb0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n-00022fc0: 6266 6266 2220 643d 224d 3136 3135 2e32  bfbf\" d=\"M1615.2\n-00022fd0: 372c 2d31 3636 2e34 3643 3136 3238 2e38  7,-166.46C1628.8\n-00022fe0: 312c 2d31 3735 2e38 3320 3136 3438 2e38  1,-175.83 1648.8\n-00022ff0: 382c 2d31 3930 2e33 3420 3136 3635 2c2d  8,-190.34 1665,-\n-00023000: 3230 342e 3631 2031 3639 332e 3932 2c2d  204.61 1693.92,-\n-00023010: 3233 302e 3231 2031 3730 312e 3732 2c2d  230.21 1701.72,-\n-00023020: 3233 362e 3636 2031 3732 352c 2d32 3637  236.66 1725,-267\n-00023030: 2e34 3820 3138 3139 2e36 312c 2d33 3932  .48 1819.61,-392\n-00023040: 2e37 3120 3138 3533 2e38 382c 2d34 3536  .71 1853.88,-456\n-00023050: 2e33 3920 3138 3136 2c2d 3630 382e 3720  .39 1816,-608.7 \n-00023060: 3137 3935 2e38 312c 2d36 3839 2e39 2031  1795.81,-689.9 1\n-00023070: 3732 312e 3236 2c2d 3832 322e 3634 2031  721.26,-822.64 1\n-00023080: 3637 362c 2d38 3630 2e31 3820 3136 3530  676,-860.18 1650\n-00023090: 2e37 392c 2d38 3831 2e31 2031 3631 352e  .79,-881.1 1615.\n-000230a0: 3339 2c2d 3839 332e 3835 2031 3538 392e  39,-893.85 1589.\n-000230b0: 3339 2c2d 3930 302e 3938 222f 3e0a 3c70  39,-900.98\"/>.<p\n-000230c0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n-000230d0: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n-000230e0: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n-000230f0: 3538 382e 3338 2c2d 3839 372e 3632 2031  588.38,-897.62 1\n-00023100: 3537 392e 3538 2c2d 3930 332e 3533 2031  579.58,-903.53 1\n-00023110: 3539 302e 3134 2c2d 3930 342e 3420 3135  590.14,-904.4 15\n-00023120: 3838 2e33 382c 2d38 3937 2e36 3222 2f3e  88.38,-897.62\"/>\n-00023130: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00023140: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n-00023150: 7272 656c 6174 696f 6e66 756e 6374 696f  rrelationfunctio\n-00023160: 6e73 2623 3435 3b26 6774 3b6d 6f64 756c  ns&#45;&gt;modul\n-00023170: 655f 7372 635f 6772 6f6d 6163 735f 6666  e_src_gromacs_ff\n-00023180: 7420 2d2d 3e0a 3c67 2069 643d 2265 6467  t -->.<g id=\"edg\n-00023190: 6532 3434 2220 636c 6173 733d 2265 6467  e244\" class=\"edg\n-000231a0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-000231b0: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n-000231c0: 7272 656c 6174 696f 6e66 756e 6374 696f  rrelationfunctio\n-000231d0: 6e73 2623 3435 3b26 6774 3b6d 6f64 756c  ns&#45;&gt;modul\n-000231e0: 655f 7372 635f 6772 6f6d 6163 735f 6666  e_src_gromacs_ff\n-000231f0: 743c 2f74 6974 6c65 3e0a 3c70 6174 6820  t</title>.<path \n-00023200: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-00023210: 6b65 3d22 2332 3832 6663 6322 2064 3d22  ke=\"#282fcc\" d=\"\n-00023220: 4d32 3036 362e 3039 2c2d 3935 392e 3038  M2066.09,-959.08\n-00023230: 4332 3037 342e 3635 2c2d 3933 372e 3036  C2074.65,-937.06\n-00023240: 2032 3039 312c 2d38 3839 2e35 3220 3230   2091,-889.52 20\n-00023250: 3931 2c2d 3834 372e 3735 2032 3039 312c  91,-847.75 2091,\n-00023260: 2d38 3437 2e37 3520 3230 3931 2c2d 3834  -847.75 2091,-84\n-00023270: 372e 3735 2032 3039 312c 2d37 3832 2e38  7.75 2091,-782.8\n-00023280: 3820 3230 3931 2c2d 3634 342e 3035 2032  8 2091,-644.05 2\n-00023290: 3039 312c 2d36 3039 2e33 3520 3230 3931  091,-609.35 2091\n-000232a0: 2c2d 3437 302e 3533 2032 3039 312c 2d34  ,-470.53 2091,-4\n-000232b0: 3730 2e35 3320 3230 3931 2c2d 3437 302e  70.53 2091,-470.\n-000232c0: 3533 2032 3039 312c 2d32 3739 2e39 3220  53 2091,-279.92 \n-000232d0: 3230 3931 2c2d 3231 332e 3832 2032 3039  2091,-213.82 209\n-000232e0: 302e 3038 2c2d 3137 392e 3735 2032 3033  0.08,-179.75 203\n-000232f0: 362c 2d31 3431 2e37 3420 3230 3036 2e31  6,-141.74 2006.1\n-00023300: 2c2d 3132 302e 3733 2038 3432 2e30 392c  ,-120.73 842.09,\n-00023310: 2d39 382e 3134 2036 3138 2e30 382c 2d39  -98.14 618.08,-9\n-00023320: 332e 3938 222f 3e0a 3c70 6f6c 7967 6f6e  3.98\"/>.<polygon\n-00023330: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n-00023340: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-00023350: 2070 6f69 6e74 733d 2236 3137 2e39 2c2d   points=\"617.9,-\n-00023360: 3930 2e34 3820 3630 372e 3834 2c2d 3933  90.48 607.84,-93\n-00023370: 2e37 3920 3631 372e 3737 2c2d 3937 2e34  .79 617.77,-97.4\n-00023380: 3820 3631 372e 392c 2d39 302e 3438 222f  8 617.9,-90.48\"/\n-00023390: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-000233a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63  le_src_gromacs_c\n-000233b0: 6f72 7265 6c61 7469 6f6e 6675 6e63 7469  orrelationfuncti\n-000233c0: 6f6e 7326 2334 353b 2667 743b 6d6f 6475  ons&#45;&gt;modu\n-000233d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63  le_src_gromacs_c\n-000233e0: 6f6d 6d61 6e64 6c69 6e65 202d 2d3e 0a3c  ommandline -->.<\n-000233f0: 6720 6964 3d22 6564 6765 3234 3322 2063  g id=\"edge243\" c\n-00023400: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-00023410: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-00023420: 726f 6d61 6373 5f63 6f72 7265 6c61 7469  romacs_correlati\n-00023430: 6f6e 6675 6e63 7469 6f6e 7326 2334 353b  onfunctions&#45;\n-00023440: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00023450: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69  romacs_commandli\n-00023460: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468  ne</title>.<path\n-00023470: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-00023480: 6f6b 653d 2223 3238 3266 6363 2220 643d  oke=\"#282fcc\" d=\n-00023490: 224d 3230 3731 2e37 2c2d 3935 392e 3035  \"M2071.7,-959.05\n-000234a0: 4332 3037 392e 3333 2c2d 3934 392e 3637  C2079.33,-949.67\n-000234b0: 2032 3038 392e 3337 2c2d 3933 362e 3231   2089.37,-936.21\n-000234c0: 2032 3039 362c 2d39 3233 2e30 3520 3231   2096,-923.05 21\n-000234d0: 3336 2e31 322c 2d38 3433 2e34 3620 3231  36.12,-843.46 21\n-000234e0: 3931 2c2d 3632 322e 3532 2032 3139 312c  91,-622.52 2191,\n-000234f0: 2d35 3333 2e34 2032 3139 312c 2d35 3333  -533.4 2191,-533\n-00023500: 2e34 2032 3139 312c 2d35 3333 2e34 2032  .4 2191,-533.4 2\n-00023510: 3139 312c 2d32 3137 2e30 3520 3231 3931  191,-217.05 2191\n-00023520: 2c2d 3131 392e 3933 2032 3035 302e 3732  ,-119.93 2050.72\n-00023530: 2c2d 3938 2e31 3320 3139 3636 2e33 312c  ,-98.13 1966.31,\n-00023540: 2d39 332e 3822 2f3e 0a3c 706f 6c79 676f  -93.8\"/>.<polygo\n-00023550: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n-00023560: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-00023570: 2220 706f 696e 7473 3d22 3139 3636 2e34  \" points=\"1966.4\n-00023580: 352c 2d39 302e 3320 3139 3536 2e33 312c  5,-90.3 1956.31,\n-00023590: 2d39 332e 3335 2031 3936 362e 3134 2c2d  -93.35 1966.14,-\n-000235a0: 3937 2e32 3920 3139 3636 2e34 352c 2d39  97.29 1966.45,-9\n-000235b0: 302e 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d  0.3\"/>.</g>.<!--\n-000235c0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-000235d0: 6163 735f 636f 7272 656c 6174 696f 6e66  acs_correlationf\n-000235e0: 756e 6374 696f 6e73 2623 3435 3b26 6774  unctions&#45;&gt\n-000235f0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00023600: 6163 735f 6669 6c65 696f 202d 2d3e 0a3c  acs_fileio -->.<\n-00023610: 6720 6964 3d22 6564 6765 3234 3222 2063  g id=\"edge242\" c\n-00023620: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-00023630: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-00023640: 726f 6d61 6373 5f63 6f72 7265 6c61 7469  romacs_correlati\n-00023650: 6f6e 6675 6e63 7469 6f6e 7326 2334 353b  onfunctions&#45;\n-00023660: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00023670: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74  romacs_fileio</t\n-00023680: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-00023690: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-000236a0: 2362 6662 6662 6622 2064 3d22 4d32 3030  #bfbfbf\" d=\"M200\n-000236b0: 322e 3936 2c2d 3936 342e 3543 3138 3937  2.96,-964.5C1897\n-000236c0: 2e35 352c 2d39 3531 2e38 3220 3136 3737  .55,-951.82 1677\n-000236d0: 2e35 372c 2d39 3235 2e33 3620 3135 3931  .57,-925.36 1591\n-000236e0: 2e30 362c 2d39 3134 2e39 3522 2f3e 0a3c  .06,-914.95\"/>.<\n-000236f0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n-00023700: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n-00023710: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n-00023720: 3135 3931 2e32 392c 2d39 3131 2e34 3620  1591.29,-911.46 \n-00023730: 3135 3830 2e39 352c 2d39 3133 2e37 3420  1580.95,-913.74 \n-00023740: 3135 3930 2e34 362c 2d39 3138 2e34 3120  1590.46,-918.41 \n-00023750: 3135 3931 2e32 392c 2d39 3131 2e34 3622  1591.29,-911.46\"\n-00023760: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00023770: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00023780: 7062 6375 7469 6c20 2d2d 3e0a 3c67 2069  pbcutil -->.<g i\n-00023790: 643d 226e 6f64 6534 3422 2063 6c61 7373  d=\"node44\" class\n-000237a0: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e  =\"node\">.<title>\n-000237b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000237c0: 6373 5f70 6263 7574 696c 3c2f 7469 746c  cs_pbcutil</titl\n-000237d0: 653e 0a3c 656c 6c69 7073 6520 6669 6c6c  e>.<ellipse fill\n-000237e0: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n-000237f0: 653d 2262 6c61 636b 2220 6378 3d22 3736  e=\"black\" cx=\"76\n-00023800: 3022 2063 793d 222d 3436 392e 3533 2220  0\" cy=\"-469.53\" \n-00023810: 7278 3d22 3331 2e36 3422 2072 793d 2231  rx=\"31.64\" ry=\"1\n-00023820: 332e 3337 222f 3e0a 3c74 6578 7420 7465  3.37\"/>.<text te\n-00023830: 7874 2d61 6e63 686f 723d 226d 6964 646c  xt-anchor=\"middl\n-00023840: 6522 2078 3d22 3736 3022 2079 3d22 2d34  e\" x=\"760\" y=\"-4\n-00023850: 3637 2e30 3322 2066 6f6e 742d 6661 6d69  67.03\" font-fami\n-00023860: 6c79 3d22 4672 6565 5361 6e73 2220 666f  ly=\"FreeSans\" fo\n-00023870: 6e74 2d73 697a 653d 2231 302e 3030 223e  nt-size=\"10.00\">\n-00023880: 7062 6375 7469 6c3c 2f74 6578 743e 0a3c  pbcutil</text>.<\n-00023890: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-000238a0: 7372 635f 6772 6f6d 6163 735f 7062 6375  src_gromacs_pbcu\n-000238b0: 7469 6c26 2334 353b 2667 743b 6d6f 6475  til&#45;&gt;modu\n-000238c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-000238d0: 7075 5f75 7469 6c73 202d 2d3e 0a3c 6720  pu_utils -->.<g \n-000238e0: 6964 3d22 6564 6765 3234 3522 2063 6c61  id=\"edge245\" cla\n-000238f0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00023900: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00023910: 6d61 6373 5f70 6263 7574 696c 2623 3435  macs_pbcutil&#45\n-00023920: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00023930: 6772 6f6d 6163 735f 6770 755f 7574 696c  gromacs_gpu_util\n-00023940: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820  s</title>.<path \n-00023950: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-00023960: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n-00023970: 4d37 3430 2c2d 3435 392e 3031 4337 3139  M740,-459.01C719\n-00023980: 2e33 392c 2d34 3439 2e32 3120 3638 362e  .39,-449.21 686.\n-00023990: 3939 2c2d 3433 332e 3820 3636 332e 3034  99,-433.8 663.04\n-000239a0: 2c2d 3432 322e 3432 222f 3e0a 3c70 6f6c  ,-422.42\"/>.<pol\n-000239b0: 7967 6f6e 2066 696c 6c3d 2223 6266 6266  ygon fill=\"#bfbf\n-000239c0: 6266 2220 7374 726f 6b65 3d22 2362 6662  bf\" stroke=\"#bfb\n-000239d0: 6662 6622 2070 6f69 6e74 733d 2236 3634  fbf\" points=\"664\n-000239e0: 2e35 342c 2d34 3139 2e32 3520 3635 342c  .54,-419.25 654,\n-000239f0: 2d34 3138 2e31 3220 3636 312e 3533 2c2d  -418.12 661.53,-\n-00023a00: 3432 352e 3537 2036 3634 2e35 342c 2d34  425.57 664.54,-4\n-00023a10: 3139 2e32 3522 2f3e 0a3c 2f67 3e0a 3c21  19.25\"/>.</g>.<!\n-00023a20: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00023a30: 6f6d 6163 735f 6577 616c 6426 2334 353b  omacs_ewald&#45;\n-00023a40: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00023a50: 726f 6d61 6373 5f66 6674 202d 2d3e 0a3c  romacs_fft -->.<\n-00023a60: 6720 6964 3d22 6564 6765 3234 3622 2063  g id=\"edge246\" c\n-00023a70: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-00023a80: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-00023a90: 726f 6d61 6373 5f65 7761 6c64 2623 3435  romacs_ewald&#45\n-00023aa0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00023ab0: 6772 6f6d 6163 735f 6666 743c 2f74 6974  gromacs_fft</tit\n-00023ac0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-00023ad0: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265  none\" stroke=\"re\n-00023ae0: 6422 2064 3d22 4d35 3831 2c2d 3134 312e  d\" d=\"M581,-141.\n-00023af0: 3536 4335 3831 2c2d 3133 342e 3232 2035  56C581,-134.22 5\n-00023b00: 3831 2c2d 3132 342e 3733 2035 3831 2c2d  81,-124.73 581,-\n-00023b10: 3131 362e 3132 222f 3e0a 3c70 6f6c 7967  116.12\"/>.<polyg\n-00023b20: 6f6e 2066 696c 6c3d 2272 6564 2220 7374  on fill=\"red\" st\n-00023b30: 726f 6b65 3d22 7265 6422 2070 6f69 6e74  roke=\"red\" point\n-00023b40: 733d 2235 3834 2e35 2c2d 3131 352e 3920  s=\"584.5,-115.9 \n-00023b50: 3538 312c 2d31 3035 2e39 2035 3737 2e35  581,-105.9 577.5\n-00023b60: 2c2d 3131 352e 3920 3538 342e 352c 2d31  ,-115.9 584.5,-1\n-00023b70: 3135 2e39 222f 3e0a 3c2f 673e 0a3c 212d  15.9\"/>.</g>.<!-\n-00023b80: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00023b90: 6d61 6373 5f65 7761 6c64 2623 3435 3b26  macs_ewald&#45;&\n-00023ba0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00023bb0: 6f6d 6163 735f 6e62 6e78 6d20 2d2d 3e0a  omacs_nbnxm -->.\n-00023bc0: 3c67 2069 643d 2265 6467 6532 3533 2220  <g id=\"edge253\" \n-00023bd0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-00023be0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00023bf0: 6772 6f6d 6163 735f 6577 616c 6426 2334  gromacs_ewald&#4\n-00023c00: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00023c10: 5f67 726f 6d61 6373 5f6e 626e 786d 3c2f  _gromacs_nbnxm</\n-00023c20: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00023c30: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-00023c40: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-00023c50: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n-00023c60: 2064 3d22 4d35 3939 2e31 342c 2d31 3635   d=\"M599.14,-165\n-00023c70: 2e38 3643 3631 322e 3532 2c2d 3137 352e  .86C612.52,-175.\n-00023c80: 3533 2036 3330 2e31 332c 2d31 3930 2e38  53 630.13,-190.8\n-00023c90: 3920 3634 352c 2d32 3034 2e36 3120 3638  9 645,-204.61 68\n-00023ca0: 392e 3631 2c2d 3234 352e 3737 2037 3430  9.61,-245.77 740\n-00023cb0: 2e33 392c 2d32 3935 2e35 3620 3736 342e  .39,-295.56 764.\n-00023cc0: 3931 2c2d 3332 322e 3732 222f 3e0a 3c70  91,-322.72\"/>.<p\n-00023cd0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n-00023ce0: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n-00023cf0: 3832 6663 6322 2070 6f69 6e74 733d 2237  82fcc\" points=\"7\n-00023d00: 3632 2e34 322c 2d33 3235 2e31 3820 3737  62.42,-325.18 77\n-00023d10: 312e 3635 2c2d 3333 302e 3339 2037 3637  1.65,-330.39 767\n-00023d20: 2e36 382c 2d33 3230 2e35 3620 3736 322e  .68,-320.56 762.\n-00023d30: 3432 2c2d 3332 352e 3138 222f 3e0a 3c2f  42,-325.18\"/>.</\n-00023d40: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00023d50: 7263 5f67 726f 6d61 6373 5f65 7761 6c64  rc_gromacs_ewald\n-00023d60: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00023d70: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n-00023d80: 6563 202d 2d3e 0a3c 6720 6964 3d22 6564  ec -->.<g id=\"ed\n-00023d90: 6765 3235 3022 2063 6c61 7373 3d22 6564  ge250\" class=\"ed\n-00023da0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-00023db0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n-00023dc0: 7761 6c64 2623 3435 3b26 6774 3b6d 6f64  wald&#45;&gt;mod\n-00023dd0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00023de0: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c  domdec</title>.<\n-00023df0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00023e00: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-00023e10: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-00023e20: 6179 3d22 352c 3222 2064 3d22 4d35 3532  ay=\"5,2\" d=\"M552\n-00023e30: 2e36 322c 2d31 3538 2e31 4335 3135 2e33  .62,-158.1C515.3\n-00023e40: 362c 2d31 3631 2e38 3220 3434 392e 3839  6,-161.82 449.89\n-00023e50: 2c2d 3137 322e 3731 2034 3034 2c2d 3230  ,-172.71 404,-20\n-00023e60: 342e 3631 2032 3939 2e34 332c 2d32 3737  4.61 299.43,-277\n-00023e70: 2e33 2033 3233 2e32 2c2d 3335 362e 3236  .3 323.2,-356.26\n-00023e80: 2033 3336 2c2d 3438 322e 3936 2033 3338   336,-482.96 338\n-00023e90: 2e31 352c 2d35 3034 2e32 3420 3430 372e  .15,-504.24 407.\n-00023ea0: 3631 2c2d 3833 392e 3438 2034 3133 2c2d  61,-839.48 413,-\n-00023eb0: 3836 302e 3138 2034 3230 2e33 392c 2d38  860.18 420.39,-8\n-00023ec0: 3838 2e35 3620 3431 312e 3032 2c2d 3930  88.56 411.02,-90\n-00023ed0: 332e 3634 2034 3333 2c2d 3932 332e 3035  3.64 433,-923.05\n-00023ee0: 2034 3633 2e33 322c 2d39 3439 2e38 3320   463.32,-949.83 \n-00023ef0: 3537 352e 3036 2c2d 3936 322e 3639 2036  575.06,-962.69 6\n-00023f00: 3338 2e38 352c 2d39 3638 2e31 3122 2f3e  38.85,-968.11\"/>\n-00023f10: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-00023f20: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n-00023f30: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n-00023f40: 3d22 3633 382e 3739 2c2d 3937 312e 3631  =\"638.79,-971.61\n-00023f50: 2036 3439 2e30 342c 2d39 3638 2e39 3420   649.04,-968.94 \n-00023f60: 3633 392e 3336 2c2d 3936 342e 3634 2036  639.36,-964.64 6\n-00023f70: 3338 2e37 392c 2d39 3731 2e36 3122 2f3e  38.79,-971.61\"/>\n-00023f80: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00023f90: 655f 7372 635f 6772 6f6d 6163 735f 6577  e_src_gromacs_ew\n-00023fa0: 616c 6426 2334 353b 2667 743b 6d6f 6475  ald&#45;&gt;modu\n-00023fb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-00023fc0: 646c 6962 202d 2d3e 0a3c 6720 6964 3d22  dlib -->.<g id=\"\n-00023fd0: 6564 6765 3235 3222 2063 6c61 7373 3d22  edge252\" class=\"\n-00023fe0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-00023ff0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00024000: 5f65 7761 6c64 2623 3435 3b26 6774 3b6d  _ewald&#45;&gt;m\n-00024010: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00024020: 735f 6d64 6c69 623c 2f74 6974 6c65 3e0a  s_mdlib</title>.\n-00024030: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-00024040: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-00024050: 6622 2064 3d22 4d36 3039 2e30 352c 2d31  f\" d=\"M609.05,-1\n-00024060: 3538 2e35 3843 3731 312e 3637 2c2d 3136  58.58C711.67,-16\n-00024070: 372e 3838 2031 3036 352e 382c 2d32 3031  7.88 1065.8,-201\n-00024080: 2e35 3920 3131 3832 2e34 382c 2d32 3133  .59 1182.48,-213\n-00024090: 2e31 3422 2f3e 0a3c 706f 6c79 676f 6e20  .14\"/>.<polygon \n-000240a0: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n-000240b0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-000240c0: 706f 696e 7473 3d22 3131 3832 2e34 2c2d  points=\"1182.4,-\n-000240d0: 3231 362e 3634 2031 3139 322e 372c 2d32  216.64 1192.7,-2\n-000240e0: 3134 2e31 3520 3131 3833 2e30 392c 2d32  14.15 1183.09,-2\n-000240f0: 3039 2e36 3820 3131 3832 2e34 2c2d 3231  09.68 1182.4,-21\n-00024100: 362e 3634 222f 3e0a 3c2f 673e 0a3c 212d  6.64\"/>.</g>.<!-\n-00024110: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00024120: 6d61 6373 5f65 7761 6c64 2623 3435 3b26  macs_ewald&#45;&\n-00024130: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00024140: 6f6d 6163 735f 6861 7264 7761 7265 202d  omacs_hardware -\n-00024150: 2d3e 0a3c 6720 6964 3d22 6564 6765 3234  ->.<g id=\"edge24\n-00024160: 3922 2063 6c61 7373 3d22 6564 6765 223e  9\" class=\"edge\">\n-00024170: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00024180: 7263 5f67 726f 6d61 6373 5f65 7761 6c64  rc_gromacs_ewald\n-00024190: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-000241a0: 7372 635f 6772 6f6d 6163 735f 6861 7264  src_gromacs_hard\n-000241b0: 7761 7265 3c2f 7469 746c 653e 0a3c 7061  ware</title>.<pa\n-000241c0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-000241d0: 7472 6f6b 653d 2272 6564 2220 643d 224d  troke=\"red\" d=\"M\n-000241e0: 3536 302e 3136 2c2d 3136 342e 3739 4335  560.16,-164.79C5\n-000241f0: 3131 2e32 312c 2d31 3835 2e36 3920 3339  11.21,-185.69 39\n-00024200: 332c 2d32 3430 2e32 3520 3339 332c 2d32  3,-240.25 393,-2\n-00024210: 3739 2e39 3220 3339 332c 2d33 3434 2e37  79.92 393,-344.7\n-00024220: 3920 3339 332c 2d33 3434 2e37 3920 3339  9 393,-344.79 39\n-00024230: 332c 2d33 3434 2e37 3920 3339 332c 2d33  3,-344.79 393,-3\n-00024240: 3835 2e31 3520 3431 392e 3935 2c2d 3432  85.15 419.95,-42\n-00024250: 352e 3635 2034 3338 2e36 2c2d 3434 382e  5.65 438.6,-448.\n-00024260: 3834 222f 3e0a 3c70 6f6c 7967 6f6e 2066  84\"/>.<polygon f\n-00024270: 696c 6c3d 2272 6564 2220 7374 726f 6b65  ill=\"red\" stroke\n-00024280: 3d22 7265 6422 2070 6f69 6e74 733d 2234  =\"red\" points=\"4\n-00024290: 3335 2e39 342c 2d34 3531 2e31 3220 3434  35.94,-451.12 44\n-000242a0: 352e 3033 2c2d 3435 362e 3536 2034 3431  5.03,-456.56 441\n-000242b0: 2e33 322c 2d34 3436 2e36 3420 3433 352e  .32,-446.64 435.\n-000242c0: 3934 2c2d 3435 312e 3132 222f 3e0a 3c2f  94,-451.12\"/>.</\n-000242d0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-000242e0: 7263 5f67 726f 6d61 6373 5f65 7761 6c64  rc_gromacs_ewald\n-000242f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00024300: 7372 635f 6772 6f6d 6163 735f 6770 755f  src_gromacs_gpu_\n-00024310: 7574 696c 7320 2d2d 3e0a 3c67 2069 643d  utils -->.<g id=\n-00024320: 2265 6467 6532 3437 2220 636c 6173 733d  \"edge247\" class=\n-00024330: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00024340: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00024350: 735f 6577 616c 6426 2334 353b 2667 743b  s_ewald&#45;&gt;\n-00024360: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00024370: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469  cs_gpu_utils</ti\n-00024380: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-00024390: 226e 6f6e 6522 2073 7472 6f6b 653d 2272  \"none\" stroke=\"r\n-000243a0: 6564 2220 643d 224d 3537 352e 3638 2c2d  ed\" d=\"M575.68,-\n-000243b0: 3136 382e 3431 4335 3639 2e38 372c 2d31  168.41C569.87,-1\n-000243c0: 3833 2e33 2035 3631 2e39 322c 2d32 3039  83.3 561.92,-209\n-000243d0: 2e31 3920 3536 362c 2d32 3331 2e34 3820  .19 566,-231.48 \n-000243e0: 3537 362e 352c 2d32 3838 2e38 3420 3630  576.5,-288.84 60\n-000243f0: 342e 3936 2c2d 3335 312e 3832 2036 3230  4.96,-351.82 620\n-00024400: 2e38 372c 2d33 3834 2e30 3422 2f3e 0a3c  .87,-384.04\"/>.<\n-00024410: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265  polygon fill=\"re\n-00024420: 6422 2073 7472 6f6b 653d 2272 6564 2220  d\" stroke=\"red\" \n-00024430: 706f 696e 7473 3d22 3631 372e 3735 2c2d  points=\"617.75,-\n-00024440: 3338 352e 3634 2036 3235 2e33 362c 2d33  385.64 625.36,-3\n-00024450: 3933 2e30 3120 3632 342e 3031 2c2d 3338  93.01 624.01,-38\n-00024460: 322e 3520 3631 372e 3735 2c2d 3338 352e  2.5 617.75,-385.\n-00024470: 3634 222f 3e0a 3c2f 673e 0a3c 212d 2d20  64\"/>.</g>.<!-- \n-00024480: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00024490: 6373 5f65 7761 6c64 2623 3435 3b26 6774  cs_ewald&#45;&gt\n-000244a0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-000244b0: 6163 735f 676d 786c 6962 202d 2d3e 0a3c  acs_gmxlib -->.<\n-000244c0: 6720 6964 3d22 6564 6765 3235 3122 2063  g id=\"edge251\" c\n-000244d0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-000244e0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-000244f0: 726f 6d61 6373 5f65 7761 6c64 2623 3435  romacs_ewald&#45\n-00024500: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00024510: 6772 6f6d 6163 735f 676d 786c 6962 3c2f  gromacs_gmxlib</\n-00024520: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00024530: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-00024540: 2223 6266 6266 6266 2220 643d 224d 3630  \"#bfbfbf\" d=\"M60\n-00024550: 392e 3236 2c2d 3135 382e 3443 3637 372e  9.26,-158.4C677.\n-00024560: 3435 2c2d 3136 342e 3531 2038 3438 2e31  45,-164.51 848.1\n-00024570: 312c 2d31 3832 2e35 3720 3930 302c 2d32  1,-182.57 900,-2\n-00024580: 3034 2e36 3120 3130 3237 2e37 382c 2d32  04.61 1027.78,-2\n-00024590: 3538 2e38 3820 3130 3632 2e37 2c2d 3238  58.88 1062.7,-28\n-000245a0: 342e 3438 2031 3134 392c 2d33 3933 2e32  4.48 1149,-393.2\n-000245b0: 3220 3131 3935 2e31 362c 2d34 3531 2e33  2 1195.16,-451.3\n-000245c0: 3820 3131 3836 2e33 392c 2d34 3738 2e31  8 1186.39,-478.1\n-000245d0: 3820 3132 3137 2c2d 3534 352e 3833 2031  8 1217,-545.83 1\n-000245e0: 3234 312e 3735 2c2d 3630 302e 3534 2031  241.75,-600.54 1\n-000245f0: 3237 312e 3336 2c2d 3636 342e 3637 2031  271.36,-664.67 1\n-00024600: 3238 332e 3533 2c2d 3639 372e 3735 222f  283.53,-697.75\"/\n-00024610: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00024620: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n-00024630: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n-00024640: 733d 2231 3238 302e 3237 2c2d 3639 392e  s=\"1280.27,-699.\n-00024650: 3034 2031 3238 362e 3834 2c2d 3730 372e  04 1286.84,-707.\n-00024660: 3335 2031 3238 362e 3839 2c2d 3639 362e  35 1286.89,-696.\n-00024670: 3736 2031 3238 302e 3237 2c2d 3639 392e  76 1280.27,-699.\n-00024680: 3034 222f 3e0a 3c2f 673e 0a3c 212d 2d20  04\"/>.</g>.<!-- \n-00024690: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000246a0: 6373 5f65 7761 6c64 2623 3435 3b26 6774  cs_ewald&#45;&gt\n-000246b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-000246c0: 6163 735f 6d64 7479 7065 7320 2d2d 3e0a  acs_mdtypes -->.\n-000246d0: 3c67 2069 643d 2265 6467 6532 3438 2220  <g id=\"edge248\" \n-000246e0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-000246f0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00024700: 6772 6f6d 6163 735f 6577 616c 6426 2334  gromacs_ewald&#4\n-00024710: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00024720: 5f67 726f 6d61 6373 5f6d 6474 7970 6573  _gromacs_mdtypes\n-00024730: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00024740: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00024750: 653d 2272 6564 2220 643d 224d 3630 392e  e=\"red\" d=\"M609.\n-00024760: 3836 2c2d 3135 362e 3534 4337 3031 2e37  86,-156.54C701.7\n-00024770: 312c 2d31 3539 2e32 3220 3938 302c 2d31  1,-159.22 980,-1\n-00024780: 3830 2e34 3720 3938 302c 2d33 3432 2e37  80.47 980,-342.7\n-00024790: 3920 3938 302c 2d34 3037 2e36 3620 3938  9 980,-407.66 98\n-000247a0: 302c 2d34 3037 2e36 3620 3938 302c 2d34  0,-407.66 980,-4\n-000247b0: 3037 2e36 3620 3938 302c 2d34 3531 2e34  07.66 980,-451.4\n-000247c0: 3620 3937 332e 3737 2c2d 3538 312e 3632  6 973.77,-581.62\n-000247d0: 2039 3636 2e37 312c 2d36 3334 2e34 3622   966.71,-634.46\"\n-000247e0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-000247f0: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n-00024800: 6564 2220 706f 696e 7473 3d22 3936 332e  ed\" points=\"963.\n-00024810: 3233 2c2d 3633 342e 3039 2039 3635 2e32  23,-634.09 965.2\n-00024820: 2c2d 3634 342e 3520 3937 302e 3135 2c2d  ,-644.5 970.15,-\n-00024830: 3633 352e 3134 2039 3633 2e32 332c 2d36  635.14 963.23,-6\n-00024840: 3334 2e30 3922 2f3e 0a3c 2f67 3e0a 3c21  34.09\"/>.</g>.<!\n-00024850: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00024860: 6f6d 6163 735f 6669 6c65 696f 2623 3435  omacs_fileio&#45\n-00024870: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00024880: 6772 6f6d 6163 735f 636f 6d70 6174 202d  gromacs_compat -\n-00024890: 2d3e 0a3c 6720 6964 3d22 6564 6765 3236  ->.<g id=\"edge26\n-000248a0: 3122 2063 6c61 7373 3d22 6564 6765 223e  1\" class=\"edge\">\n-000248b0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-000248c0: 7263 5f67 726f 6d61 6373 5f66 696c 6569  rc_gromacs_filei\n-000248d0: 6f26 2334 353b 2667 743b 6d6f 6475 6c65  o&#45;&gt;module\n-000248e0: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d  _src_gromacs_com\n-000248f0: 7061 743c 2f74 6974 6c65 3e0a 3c70 6174  pat</title>.<pat\n-00024900: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00024910: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n-00024920: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n-00024930: 2235 2c32 2220 643d 224d 3135 3639 2e34  \"5,2\" d=\"M1569.4\n-00024940: 312c 2d38 3938 2e31 3243 3135 3831 2e34  1,-898.12C1581.4\n-00024950: 312c 2d38 3838 2e39 3620 3135 3938 2e34  1,-888.96 1598.4\n-00024960: 382c 2d38 3734 2e38 3520 3136 3131 2c2d  8,-874.85 1611,-\n-00024970: 3836 302e 3138 2031 3637 362e 3733 2c2d  860.18 1676.73,-\n-00024980: 3738 332e 3136 2031 3639 362e 3037 2c2d  783.16 1696.07,-\n-00024990: 3734 352e 3335 2031 3638 352c 2d36 3434  745.35 1685,-644\n-000249a0: 2e37 2031 3636 362e 3731 2c2d 3437 382e  .7 1666.71,-478.\n-000249b0: 3432 2031 3539 392e 3734 2c2d 3434 352e  42 1599.74,-445.\n-000249c0: 3038 2031 3437 382c 2d33 3330 2e33 3520  08 1478,-330.35 \n-000249d0: 3133 3935 2e37 362c 2d32 3532 2e38 3520  1395.76,-252.85 \n-000249e0: 3133 3636 2e33 392c 2d32 3332 2e39 3720  1366.39,-232.97 \n-000249f0: 3132 3537 2c2d 3230 342e 3631 2031 3233  1257,-204.61 123\n-00024a00: 372e 312c 2d31 3939 2e34 3520 3935 332e  7.1,-199.45 953.\n-00024a10: 3033 2c2d 3137 312e 3231 2038 3433 2e30  03,-171.21 843.0\n-00024a20: 352c 2d31 3630 2e33 3922 2f3e 0a3c 706f  5,-160.39\"/>.<po\n-00024a30: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-00024a40: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-00024a50: 3266 6363 2220 706f 696e 7473 3d22 3834  2fcc\" points=\"84\n-00024a60: 332e 3236 2c2d 3135 362e 3839 2038 3332  3.26,-156.89 832\n-00024a70: 2e39 372c 2d31 3539 2e34 2038 3432 2e35  .97,-159.4 842.5\n-00024a80: 382c 2d31 3633 2e38 3620 3834 332e 3236  8,-163.86 843.26\n-00024a90: 2c2d 3135 362e 3839 222f 3e0a 3c2f 673e  ,-156.89\"/>.</g>\n-00024aa0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00024ab0: 5f67 726f 6d61 6373 5f66 696c 6569 6f26  _gromacs_fileio&\n-00024ac0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00024ad0: 7263 5f67 726f 6d61 6373 5f74 7261 6a65  rc_gromacs_traje\n-00024ae0: 6374 6f72 7920 2d2d 3e0a 3c67 2069 643d  ctory -->.<g id=\n-00024af0: 2265 6467 6532 3536 2220 636c 6173 733d  \"edge256\" class=\n-00024b00: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00024b10: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00024b20: 735f 6669 6c65 696f 2623 3435 3b26 6774  s_fileio&#45;&gt\n-00024b30: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00024b40: 6163 735f 7472 616a 6563 746f 7279 3c2f  acs_trajectory</\n-00024b50: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00024b60: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-00024b70: 2223 6266 6266 6266 2220 643d 224d 3135  \"#bfbfbf\" d=\"M15\n-00024b80: 3831 2e31 342c 2d39 3035 2e39 3643 3136  81.14,-905.96C16\n-00024b90: 3336 2e30 352c 2d38 3939 2e39 3820 3137  36.05,-899.98 17\n-00024ba0: 3631 2e31 362c 2d38 3834 2e30 3820 3137  61.16,-884.08 17\n-00024bb0: 3936 2c2d 3836 302e 3138 2031 3835 302e  96,-860.18 1850.\n-00024bc0: 3332 2c2d 3832 322e 3932 2031 3933 312c  32,-822.92 1931,\n-00024bd0: 2d36 3632 2e31 3420 3139 3331 2c2d 3539  -662.14 1931,-59\n-00024be0: 362e 3237 2031 3933 312c 2d35 3936 2e32  6.27 1931,-596.2\n-00024bf0: 3720 3139 3331 2c2d 3539 362e 3237 2031  7 1931,-596.27 1\n-00024c00: 3933 312c 2d35 3331 2e34 2031 3933 312c  931,-531.4 1931,\n-00024c10: 2d34 3437 2e39 3820 3139 3531 2c2d 3432  -447.98 1951,-42\n-00024c20: 382e 3220 3139 3531 2c2d 3334 342e 3739  8.2 1951,-344.79\n-00024c30: 2031 3935 312c 2d33 3434 2e37 3920 3139   1951,-344.79 19\n-00024c40: 3531 2c2d 3334 342e 3739 2031 3935 312c  51,-344.79 1951,\n-00024c50: 2d32 3739 2e39 3220 3139 3531 2c2d 3234  -279.92 1951,-24\n-00024c60: 342e 3731 2031 3935 312c 2d32 3033 2e38  4.71 1951,-203.8\n-00024c70: 3620 3139 3531 2c2d 3137 392e 3033 222f  6 1951,-179.03\"/\n-00024c80: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00024c90: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n-00024ca0: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n-00024cb0: 733d 2231 3935 342e 352c 2d31 3738 2e38  s=\"1954.5,-178.8\n-00024cc0: 3220 3139 3531 2c2d 3136 382e 3832 2031  2 1951,-168.82 1\n-00024cd0: 3934 372e 352c 2d31 3738 2e38 3220 3139  947.5,-178.82 19\n-00024ce0: 3534 2e35 2c2d 3137 382e 3832 222f 3e0a  54.5,-178.82\"/>.\n-00024cf0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00024d00: 5f73 7263 5f67 726f 6d61 6373 5f66 696c  _src_gromacs_fil\n-00024d10: 6569 6f26 2334 353b 2667 743b 6d6f 6475  eio&#45;&gt;modu\n-00024d20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-00024d30: 6473 7061 6e20 2d2d 3e0a 3c67 2069 643d  dspan -->.<g id=\n-00024d40: 2265 6467 6532 3534 2220 636c 6173 733d  \"edge254\" class=\n-00024d50: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00024d60: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00024d70: 735f 6669 6c65 696f 2623 3435 3b26 6774  s_fileio&#45;&gt\n-00024d80: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00024d90: 6163 735f 6d64 7370 616e 3c2f 7469 746c  acs_mdspan</titl\n-00024da0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00024db0: 6f6e 6522 2073 7472 6f6b 653d 2272 6564  one\" stroke=\"red\n-00024dc0: 2220 643d 224d 3135 3738 2e36 2c2d 3930  \" d=\"M1578.6,-90\n-00024dd0: 322e 3931 4331 3630 372e 3036 2c2d 3839  2.91C1607.06,-89\n-00024de0: 352e 3437 2031 3635 352e 3833 2c2d 3838  5.47 1655.83,-88\n-00024df0: 302e 3932 2031 3639 342c 2d38 3630 2e31  0.92 1694,-860.1\n-00024e00: 3820 3137 3734 2e30 392c 2d38 3136 2e36  8 1774.09,-816.6\n-00024e10: 3720 3138 3033 2e38 332c 2d38 3039 2e31  7 1803.83,-809.1\n-00024e20: 3820 3138 3536 2c2d 3733 342e 3434 2031  8 1856,-734.44 1\n-00024e30: 3933 312e 3434 2c2d 3632 362e 3336 2031  931.44,-626.36 1\n-00024e40: 3936 362e 332c 2d32 3339 2e35 3920 3138  966.3,-239.59 18\n-00024e50: 3738 2c2d 3134 312e 3734 2031 3835 342e  78,-141.74 1854.\n-00024e60: 3132 2c2d 3131 352e 3237 2031 3631 382e  12,-115.27 1618.\n-00024e70: 322c 2d31 3030 2e35 3620 3135 3136 2e38  2,-100.56 1516.8\n-00024e80: 362c 2d39 352e 3432 222f 3e0a 3c70 6f6c  6,-95.42\"/>.<pol\n-00024e90: 7967 6f6e 2066 696c 6c3d 2272 6564 2220  ygon fill=\"red\" \n-00024ea0: 7374 726f 6b65 3d22 7265 6422 2070 6f69  stroke=\"red\" poi\n-00024eb0: 6e74 733d 2231 3531 362e 3739 2c2d 3931  nts=\"1516.79,-91\n-00024ec0: 2e39 3120 3135 3036 2e36 332c 2d39 342e  .91 1506.63,-94.\n-00024ed0: 3931 2031 3531 362e 3434 2c2d 3938 2e39  91 1516.44,-98.9\n-00024ee0: 2031 3531 362e 3739 2c2d 3931 2e39 3122   1516.79,-91.91\"\n-00024ef0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00024f00: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00024f10: 6669 6c65 696f 2623 3435 3b26 6774 3b6d  fileio&#45;&gt;m\n-00024f20: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00024f30: 735f 676d 786c 6962 202d 2d3e 0a3c 6720  s_gmxlib -->.<g \n-00024f40: 6964 3d22 6564 6765 3235 3722 2063 6c61  id=\"edge257\" cla\n-00024f50: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00024f60: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00024f70: 6d61 6373 5f66 696c 6569 6f26 2334 353b  macs_fileio&#45;\n-00024f80: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00024f90: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74  romacs_gmxlib</t\n-00024fa0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-00024fb0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-00024fc0: 2362 6662 6662 6622 2064 3d22 4d31 3534  #bfbfbf\" d=\"M154\n-00024fd0: 382e 3434 2c2d 3839 362e 3431 4331 3533  8.44,-896.41C153\n-00024fe0: 312e 3834 2c2d 3836 352e 3934 2031 3438  1.84,-865.94 148\n-00024ff0: 372e 3832 2c2d 3738 372e 3735 2031 3436  7.82,-787.75 146\n-00025000: 342c 2d37 3730 2e34 3420 3134 3234 2e30  4,-770.44 1424.0\n-00025010: 352c 2d37 3431 2e34 2031 3336 372e 3531  5,-741.4 1367.51\n-00025020: 2c2d 3732 392e 3737 2031 3332 392e 3339  ,-729.77 1329.39\n-00025030: 2c2d 3732 352e 3131 222f 3e0a 3c70 6f6c  ,-725.11\"/>.<pol\n-00025040: 7967 6f6e 2066 696c 6c3d 2223 6266 6266  ygon fill=\"#bfbf\n-00025050: 6266 2220 7374 726f 6b65 3d22 2362 6662  bf\" stroke=\"#bfb\n-00025060: 6662 6622 2070 6f69 6e74 733d 2231 3332  fbf\" points=\"132\n-00025070: 392e 3438 2c2d 3732 312e 3620 3133 3139  9.48,-721.6 1319\n-00025080: 2e31 362c 2d37 3233 2e39 3720 3133 3238  .16,-723.97 1328\n-00025090: 2e37 312c 2d37 3238 2e35 3620 3133 3239  .71,-728.56 1329\n-000250a0: 2e34 382c 2d37 3231 2e36 222f 3e0a 3c2f  .48,-721.6\"/>.</\n-000250b0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-000250c0: 7263 5f67 726f 6d61 6373 5f66 696c 6569  rc_gromacs_filei\n-000250d0: 6f26 2334 353b 2667 743b 6d6f 6475 6c65  o&#45;&gt;module\n-000250e0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474  _src_gromacs_mdt\n-000250f0: 7970 6573 202d 2d3e 0a3c 6720 6964 3d22  ypes -->.<g id=\"\n-00025100: 6564 6765 3235 3522 2063 6c61 7373 3d22  edge255\" class=\"\n-00025110: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-00025120: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00025130: 5f66 696c 6569 6f26 2334 353b 2667 743b  _fileio&#45;&gt;\n-00025140: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00025150: 6373 5f6d 6474 7970 6573 3c2f 7469 746c  cs_mdtypes</titl\n-00025160: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00025170: 6f6e 6522 2073 7472 6f6b 653d 2272 6564  one\" stroke=\"red\n-00025180: 2220 643d 224d 3135 3239 2e31 372c 2d39  \" d=\"M1529.17,-9\n-00025190: 3035 2e36 3643 3134 3738 2e33 352c 2d38  05.66C1478.35,-8\n-000251a0: 3938 2e39 3620 3133 3633 2e31 332c 2d38  98.96 1363.13,-8\n-000251b0: 3831 2e35 3320 3132 3638 2c2d 3836 302e  81.53 1268,-860.\n-000251c0: 3138 2031 3231 362e 3732 2c2d 3834 382e  18 1216.72,-848.\n-000251d0: 3637 2031 3037 312e 3834 2c2d 3833 392e  67 1071.84,-839.\n-000251e0: 3132 2031 3034 302c 2d37 3937 2e33 3120  12 1040,-797.31 \n-000251f0: 3130 3332 2e37 362c 2d37 3837 2e38 3120  1032.76,-787.81 \n-00025200: 3130 3334 2e34 312c 2d37 3830 2e39 3920  1034.41,-780.99 \n-00025210: 3130 3430 2c2d 3737 302e 3434 2031 3035  1040,-770.44 105\n-00025220: 332e 3333 2c2d 3734 352e 3238 2031 3037  3.33,-745.28 107\n-00025230: 392e 3637 2c2d 3735 392e 3620 3130 3933  9.67,-759.6 1093\n-00025240: 2c2d 3733 342e 3434 2031 3039 382e 3539  ,-734.44 1098.59\n-00025250: 2c2d 3732 332e 3839 2031 3039 392e 3934  ,-723.89 1099.94\n-00025260: 2c2d 3731 372e 3239 2031 3039 332c 2d37  ,-717.29 1093,-7\n-00025270: 3037 2e35 3720 3130 3831 2e37 342c 2d36  07.57 1081.74,-6\n-00025280: 3931 2e38 2031 3033 352e 3432 2c2d 3637  91.8 1035.42,-67\n-00025290: 372e 3931 2031 3030 302e 3731 2c2d 3636  7.91 1000.71,-66\n-000252a0: 392e 3039 222f 3e0a 3c70 6f6c 7967 6f6e  9.09\"/>.<polygon\n-000252b0: 2066 696c 6c3d 2272 6564 2220 7374 726f   fill=\"red\" stro\n-000252c0: 6b65 3d22 7265 6422 2070 6f69 6e74 733d  ke=\"red\" points=\n-000252d0: 2231 3030 312e 3336 2c2d 3636 352e 3635  \"1001.36,-665.65\n-000252e0: 2039 3930 2e38 312c 2d36 3636 2e36 3320   990.81,-666.63 \n-000252f0: 3939 392e 3637 2c2d 3637 322e 3434 2031  999.67,-672.44 1\n-00025300: 3030 312e 3336 2c2d 3636 352e 3635 222f  001.36,-665.65\"/\n-00025310: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00025320: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66  le_src_gromacs_f\n-00025330: 696c 6569 6f26 2334 353b 2667 743b 6d6f  ileio&#45;&gt;mo\n-00025340: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00025350: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f  _modularsimulato\n-00025360: 7220 2d2d 3e0a 3c67 2069 643d 2265 6467  r -->.<g id=\"edg\n-00025370: 6532 3539 2220 636c 6173 733d 2265 6467  e259\" class=\"edg\n-00025380: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00025390: 655f 7372 635f 6772 6f6d 6163 735f 6669  e_src_gromacs_fi\n-000253a0: 6c65 696f 2623 3435 3b26 6774 3b6d 6f64  leio&#45;&gt;mod\n-000253b0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-000253c0: 6d6f 6475 6c61 7273 696d 756c 6174 6f72  modularsimulator\n-000253d0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-000253e0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-000253f0: 653d 2272 6564 2220 643d 224d 3135 3238  e=\"red\" d=\"M1528\n-00025400: 2e31 322c 2d39 3036 2e39 3243 3134 3038  .12,-906.92C1408\n-00025410: 2e39 2c2d 3839 392e 3034 2039 3236 2e37  .9,-899.04 926.7\n-00025420: 322c 2d38 3635 2e37 3220 3734 342e 3833  2,-865.72 744.83\n-00025430: 2c2d 3835 322e 3835 222f 3e0a 3c70 6f6c  ,-852.85\"/>.<pol\n-00025440: 7967 6f6e 2066 696c 6c3d 2272 6564 2220  ygon fill=\"red\" \n-00025450: 7374 726f 6b65 3d22 7265 6422 2070 6f69  stroke=\"red\" poi\n-00025460: 6e74 733d 2237 3435 2e30 362c 2d38 3439  nts=\"745.06,-849\n-00025470: 2e33 3620 3733 342e 3834 2c2d 3835 322e  .36 734.84,-852.\n-00025480: 3134 2037 3434 2e35 372c 2d38 3536 2e33  14 744.57,-856.3\n-00025490: 3420 3734 352e 3036 2c2d 3834 392e 3336  4 745.06,-849.36\n-000254a0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-000254b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-000254c0: 5f66 696c 6569 6f26 2334 353b 2667 743b  _fileio&#45;&gt;\n-000254d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000254e0: 6373 5f6d 6472 756e 7574 696c 6974 7920  cs_mdrunutility \n-000254f0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n-00025500: 3538 2220 636c 6173 733d 2265 6467 6522  58\" class=\"edge\"\n-00025510: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00025520: 7372 635f 6772 6f6d 6163 735f 6669 6c65  src_gromacs_file\n-00025530: 696f 2623 3435 3b26 6774 3b6d 6f64 756c  io&#45;&gt;modul\n-00025540: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00025550: 7275 6e75 7469 6c69 7479 3c2f 7469 746c  runutility</titl\n-00025560: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00025570: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n-00025580: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n-00025590: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n-000255a0: 4d31 3535 302e 3531 2c2d 3839 362e 3133  M1550.51,-896.13\n-000255b0: 4331 3534 302e 3238 2c2d 3834 392e 3437  C1540.28,-849.47\n-000255c0: 2031 3531 382e 3335 2c2d 3638 322e 3739   1518.35,-682.79\n-000255d0: 2031 3433 352c 2d35 3831 2e38 3320 3134   1435,-581.83 14\n-000255e0: 3233 2e31 382c 2d35 3637 2e35 3120 3134  23.18,-567.51 14\n-000255f0: 3035 2e39 362c 2d35 3536 2e35 3920 3133  05.96,-556.59 13\n-00025600: 3930 2e38 2c2d 3534 382e 3738 222f 3e0a  90.8,-548.78\"/>.\n-00025610: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-00025620: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n-00025630: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n-00025640: 2231 3339 322e 3231 2c2d 3534 352e 3537  \"1392.21,-545.57\n-00025650: 2031 3338 312e 372c 2d35 3434 2e33 3120   1381.7,-544.31 \n-00025660: 3133 3839 2e31 332c 2d35 3531 2e38 3620  1389.13,-551.86 \n-00025670: 3133 3932 2e32 312c 2d35 3435 2e35 3722  1392.21,-545.57\"\n-00025680: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00025690: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-000256a0: 6669 6c65 696f 2623 3435 3b26 6774 3b6d  fileio&#45;&gt;m\n-000256b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-000256c0: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n-000256d0: 5f61 7768 202d 2d3e 0a3c 6720 6964 3d22  _awh -->.<g id=\"\n-000256e0: 6564 6765 3236 3022 2063 6c61 7373 3d22  edge260\" class=\"\n-000256f0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-00025700: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00025710: 5f66 696c 6569 6f26 2334 353b 2667 743b  _fileio&#45;&gt;\n-00025720: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00025730: 6373 5f61 7070 6c69 6564 5f66 6f72 6365  cs_applied_force\n-00025740: 735f 6177 683c 2f74 6974 6c65 3e0a 3c70  s_awh</title>.<p\n-00025750: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00025760: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-00025770: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-00025780: 793d 2235 2c32 2220 643d 224d 3135 3538  y=\"5,2\" d=\"M1558\n-00025790: 2e33 352c 2d38 3936 2e31 3943 3135 3731  .35,-896.19C1571\n-000257a0: 2e36 372c 2d38 3638 2e35 3420 3136 3132  .67,-868.54 1612\n-000257b0: 2e36 372c 2d37 3939 2e32 3420 3136 3237  .67,-799.24 1627\n-000257c0: 2c2d 3733 342e 3434 2031 3633 352e 3631  ,-734.44 1635.61\n-000257d0: 2c2d 3639 352e 3520 3136 3331 2e34 342c  ,-695.5 1631.44,\n-000257e0: 2d36 3834 2e33 3420 3136 3237 2c2d 3634  -684.34 1627,-64\n-000257f0: 342e 3720 3136 3236 2e30 352c 2d36 3336  4.7 1626.05,-636\n-00025800: 2e32 3220 3136 3234 2e31 392c 2d36 3237  .22 1624.19,-627\n-00025810: 2e30 3520 3136 3232 2e37 382c 2d36 3139  .05 1622.78,-619\n-00025820: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-00025830: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n-00025840: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n-00025850: 6e74 733d 2231 3632 362e 3231 2c2d 3631  nts=\"1626.21,-61\n-00025860: 382e 3236 2031 3632 312e 3238 2c2d 3630  8.26 1621.28,-60\n-00025870: 382e 3838 2031 3631 392e 3239 2c2d 3631  8.88 1619.29,-61\n-00025880: 392e 3239 2031 3632 362e 3231 2c2d 3631  9.29 1626.21,-61\n-00025890: 382e 3236 222f 3e0a 3c2f 673e 0a3c 212d  8.26\"/>.</g>.<!-\n-000258a0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-000258b0: 6d61 6373 5f66 696c 6569 6f26 2334 353b  macs_fileio&#45;\n-000258c0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f74  &gt;module_src_t\n-000258d0: 6573 7475 7469 6c73 202d 2d3e 0a3c 6720  estutils -->.<g \n-000258e0: 6964 3d22 6564 6765 3236 3222 2063 6c61  id=\"edge262\" cla\n-000258f0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00025900: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00025910: 6d61 6373 5f66 696c 6569 6f26 2334 353b  macs_fileio&#45;\n-00025920: 2667 743b 6d6f 6475 6c65 5f73 7263 5f74  &gt;module_src_t\n-00025930: 6573 7475 7469 6c73 3c2f 7469 746c 653e  estutils</title>\n-00025940: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-00025950: 6522 2073 7472 6f6b 653d 2223 3263 6363  e\" stroke=\"#2ccc\n-00025960: 3238 2220 7374 726f 6b65 2d64 6173 6861  28\" stroke-dasha\n-00025970: 7272 6179 3d22 352c 3222 2064 3d22 4d31  rray=\"5,2\" d=\"M1\n-00025980: 3538 312e 3539 2c2d 3930 362e 3433 4331  581.59,-906.43C1\n-00025990: 3731 302e 3134 2c2d 3839 352e 3336 2032  710.14,-895.36 2\n-000259a0: 3236 362e 322c 2d38 3431 2e38 3720 3233  266.2,-841.87 23\n-000259b0: 3936 2c2d 3733 342e 3434 2032 3435 322e  96,-734.44 2452.\n-000259c0: 3535 2c2d 3638 372e 3633 2032 3437 342e  55,-687.63 2474.\n-000259d0: 3336 2c2d 3539 372e 3639 2032 3438 312e  36,-597.69 2481.\n-000259e0: 3732 2c2d 3535 352e 3834 222f 3e0a 3c70  72,-555.84\"/>.<p\n-000259f0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3263  olygon fill=\"#2c\n-00025a00: 6363 3238 2220 7374 726f 6b65 3d22 2332  cc28\" stroke=\"#2\n-00025a10: 6363 6332 3822 2070 6f69 6e74 733d 2232  ccc28\" points=\"2\n-00025a20: 3438 352e 3139 2c2d 3535 362e 3237 2032  485.19,-556.27 2\n-00025a30: 3438 332e 3336 2c2d 3534 352e 3834 2032  483.36,-545.84 2\n-00025a40: 3437 382e 3238 2c2d 3535 352e 3134 2032  478.28,-555.14 2\n-00025a50: 3438 352e 3139 2c2d 3535 362e 3237 222f  485.19,-556.27\"/\n-00025a60: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00025a70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61  le_src_gromacs_a\n-00025a80: 7070 6c69 6564 5f66 6f72 6365 735f 6177  pplied_forces_aw\n-00025a90: 6826 2334 353b 2667 743b 6d6f 6475 6c65  h&#45;&gt;module\n-00025aa0: 5f73 7263 5f67 726f 6d61 6373 5f74 7261  _src_gromacs_tra\n-00025ab0: 6a65 6374 6f72 7920 2d2d 3e0a 3c67 2069  jectory -->.<g i\n-00025ac0: 643d 2265 6467 6532 3733 2220 636c 6173  d=\"edge273\" clas\n-00025ad0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-00025ae0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00025af0: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n-00025b00: 6573 5f61 7768 2623 3435 3b26 6774 3b6d  es_awh&#45;&gt;m\n-00025b10: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00025b20: 735f 7472 616a 6563 746f 7279 3c2f 7469  s_trajectory</ti\n-00025b30: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-00025b40: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-00025b50: 6266 6266 6266 2220 643d 224d 3136 3435  bfbfbf\" d=\"M1645\n-00025b60: 2e35 342c 2d35 3836 2e33 3243 3136 3636  .54,-586.32C1666\n-00025b70: 2e31 2c2d 3537 372e 3837 2031 3639 382e  .1,-577.87 1698.\n-00025b80: 3138 2c2d 3536 332e 3332 2031 3732 332c  18,-563.32 1723,\n-00025b90: 2d35 3435 2e38 3320 3137 3535 2e38 352c  -545.83 1755.85,\n-00025ba0: 2d35 3232 2e36 3820 3137 3632 2e39 352c  -522.68 1762.95,\n-00025bb0: 2d35 3134 2e33 3920 3137 3838 2c2d 3438  -514.39 1788,-48\n-00025bc0: 322e 3936 2031 3836 382e 3734 2c2d 3338  2.96 1868.74,-38\n-00025bd0: 312e 3635 2031 3932 342e 3433 2c2d 3233  1.65 1924.43,-23\n-00025be0: 332e 3838 2031 3934 332e 3633 2c2d 3137  3.88 1943.63,-17\n-00025bf0: 382e 3336 222f 3e0a 3c70 6f6c 7967 6f6e  8.36\"/>.<polygon\n-00025c00: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n-00025c10: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-00025c20: 2070 6f69 6e74 733d 2231 3934 362e 3937   points=\"1946.97\n-00025c30: 2c2d 3137 392e 3420 3139 3436 2e38 382c  ,-179.4 1946.88,\n-00025c40: 2d31 3638 2e38 3120 3139 3430 2e33 342c  -168.81 1940.34,\n-00025c50: 2d31 3737 2e31 3420 3139 3436 2e39 372c  -177.14 1946.97,\n-00025c60: 2d31 3739 2e34 222f 3e0a 3c2f 673e 0a3c  -179.4\"/>.</g>.<\n-00025c70: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-00025c80: 726f 6d61 6373 5f61 7070 6c69 6564 5f66  romacs_applied_f\n-00025c90: 6f72 6365 735f 6177 6826 2334 353b 2667  orces_awh&#45;&g\n-00025ca0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00025cb0: 6d61 6373 5f6d 6473 7061 6e20 2d2d 3e0a  macs_mdspan -->.\n-00025cc0: 3c67 2069 643d 2265 6467 6532 3730 2220  <g id=\"edge270\" \n-00025cd0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-00025ce0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00025cf0: 6772 6f6d 6163 735f 6170 706c 6965 645f  gromacs_applied_\n-00025d00: 666f 7263 6573 5f61 7768 2623 3435 3b26  forces_awh&#45;&\n-00025d10: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00025d20: 6f6d 6163 735f 6d64 7370 616e 3c2f 7469  omacs_mdspan</ti\n-00025d30: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-00025d40: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-00025d50: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n-00025d60: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-00025d70: 3d22 4d31 3633 342e 3235 2c2d 3538 322e  =\"M1634.25,-582.\n-00025d80: 3238 4331 3635 392e 3437 2c2d 3534 382e  28C1659.47,-548.\n-00025d90: 3838 2031 3732 392e 3439 2c2d 3435 312e  88 1729.49,-451.\n-00025da0: 3032 2031 3735 392c 2d33 3537 2e32 3220  02 1759,-357.22 \n-00025db0: 3137 3731 2c2d 3331 392e 3039 2031 3738  1771,-319.09 178\n-00025dc0: 302e 3533 2c2d 3330 342e 3331 2031 3736  0.53,-304.31 176\n-00025dd0: 352c 2d32 3637 2e34 3820 3137 3333 2e38  5,-267.48 1733.8\n-00025de0: 392c 2d31 3933 2e37 3120 3137 3035 2e31  9,-193.71 1705.1\n-00025df0: 322c 2d31 3832 2e31 3520 3136 3336 2c2d  2,-182.15 1636,-\n-00025e00: 3134 312e 3734 2031 3539 372e 3736 2c2d  141.74 1597.76,-\n-00025e10: 3131 392e 3339 2031 3534 382e 3433 2c2d  119.39 1548.43,-\n-00025e20: 3130 362e 3637 2031 3531 332e 3731 2c2d  106.67 1513.71,-\n-00025e30: 3939 2e39 3422 2f3e 0a3c 706f 6c79 676f  99.94\"/>.<polygo\n-00025e40: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n-00025e50: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-00025e60: 2220 706f 696e 7473 3d22 3135 3134 2e33  \" points=\"1514.3\n-00025e70: 342c 2d39 362e 3520 3135 3033 2e38 372c  4,-96.5 1503.87,\n-00025e80: 2d39 382e 3131 2031 3531 332e 3037 2c2d  -98.11 1513.07,-\n-00025e90: 3130 332e 3338 2031 3531 342e 3334 2c2d  103.38 1514.34,-\n-00025ea0: 3936 2e35 222f 3e0a 3c2f 673e 0a3c 212d  96.5\"/>.</g>.<!-\n-00025eb0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00025ec0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n-00025ed0: 6365 735f 6177 6826 2334 353b 2667 743b  ces_awh&#45;&gt;\n-00025ee0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00025ef0: 6373 5f67 6d78 6c69 6220 2d2d 3e0a 3c67  cs_gmxlib -->.<g\n-00025f00: 2069 643d 2265 6467 6532 3731 2220 636c   id=\"edge271\" cl\n-00025f10: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00025f20: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00025f30: 6f6d 6163 735f 6170 706c 6965 645f 666f  omacs_applied_fo\n-00025f40: 7263 6573 5f61 7768 2623 3435 3b26 6774  rces_awh&#45;&gt\n-00025f50: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00025f60: 6163 735f 676d 786c 6962 3c2f 7469 746c  acs_gmxlib</titl\n-00025f70: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00025f80: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n-00025f90: 6266 6266 2220 643d 224d 3136 3034 2e32  bfbf\" d=\"M1604.2\n-00025fa0: 352c 2d36 3033 2e38 3943 3135 3437 2e34  5,-603.89C1547.4\n-00025fb0: 322c 2d36 3234 2e37 3520 3133 3838 2e39  2,-624.75 1388.9\n-00025fc0: 352c 2d36 3832 2e39 3420 3133 3230 2e33  5,-682.94 1320.3\n-00025fd0: 352c 2d37 3038 2e31 3322 2f3e 0a3c 706f  5,-708.13\"/>.<po\n-00025fe0: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n-00025ff0: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n-00026000: 6266 6266 2220 706f 696e 7473 3d22 3133  bfbf\" points=\"13\n-00026010: 3139 2e30 382c 2d37 3034 2e38 3720 3133  19.08,-704.87 13\n-00026020: 3130 2e39 2c2d 3731 312e 3620 3133 3231  10.9,-711.6 1321\n-00026030: 2e34 392c 2d37 3131 2e34 3420 3133 3139  .49,-711.44 1319\n-00026040: 2e30 382c 2d37 3034 2e38 3722 2f3e 0a3c  .08,-704.87\"/>.<\n-00026050: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-00026060: 7372 635f 6772 6f6d 6163 735f 6170 706c  src_gromacs_appl\n-00026070: 6965 645f 666f 7263 6573 5f61 7768 2623  ied_forces_awh&#\n-00026080: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00026090: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n-000260a0: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467  s -->.<g id=\"edg\n-000260b0: 6532 3638 2220 636c 6173 733d 2265 6467  e268\" class=\"edg\n-000260c0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-000260d0: 655f 7372 635f 6772 6f6d 6163 735f 6170  e_src_gromacs_ap\n-000260e0: 706c 6965 645f 666f 7263 6573 5f61 7768  plied_forces_awh\n-000260f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00026100: 7372 635f 6772 6f6d 6163 735f 6d64 7479  src_gromacs_mdty\n-00026110: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174  pes</title>.<pat\n-00026120: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00026130: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n-00026140: 3d22 4d31 3539 382e 3735 2c2d 3539 382e  =\"M1598.75,-598.\n-00026150: 3935 4331 3439 382e 3132 2c2d 3630 382e  95C1498.12,-608.\n-00026160: 3631 2031 3133 372e 3036 2c2d 3634 312e  61 1137.06,-641.\n-00026170: 3733 2031 3030 372e 3535 2c2d 3635 332e  73 1007.55,-653.\n-00026180: 3139 222f 3e0a 3c70 6f6c 7967 6f6e 2066  19\"/>.<polygon f\n-00026190: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n-000261a0: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n-000261b0: 6f69 6e74 733d 2231 3030 372e 322c 2d36  oints=\"1007.2,-6\n-000261c0: 3439 2e37 3120 3939 372e 3535 2c2d 3635  49.71 997.55,-65\n-000261d0: 342e 3038 2031 3030 372e 3832 2c2d 3635  4.08 1007.82,-65\n-000261e0: 362e 3638 2031 3030 372e 322c 2d36 3439  6.68 1007.2,-649\n-000261f0: 2e37 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .71\"/>.</g>.<!--\n-00026200: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-00026210: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n-00026220: 6573 5f61 7768 2623 3435 3b26 6774 3b6d  es_awh&#45;&gt;m\n-00026230: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00026240: 735f 6d64 7275 6e75 7469 6c69 7479 202d  s_mdrunutility -\n-00026250: 2d3e 0a3c 6720 6964 3d22 6564 6765 3237  ->.<g id=\"edge27\n-00026260: 3222 2063 6c61 7373 3d22 6564 6765 223e  2\" class=\"edge\">\n-00026270: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00026280: 7263 5f67 726f 6d61 6373 5f61 7070 6c69  rc_gromacs_appli\n-00026290: 6564 5f66 6f72 6365 735f 6177 6826 2334  ed_forces_awh&#4\n-000262a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-000262b0: 5f67 726f 6d61 6373 5f6d 6472 756e 7574  _gromacs_mdrunut\n-000262c0: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70  ility</title>.<p\n-000262d0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-000262e0: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-000262f0: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-00026300: 793d 2235 2c32 2220 643d 224d 3136 3030  y=\"5,2\" d=\"M1600\n-00026310: 2e39 332c 2d35 3838 2e37 3643 3135 3536  .93,-588.76C1556\n-00026320: 2e35 332c 2d35 3738 2e36 2031 3436 312e  .53,-578.6 1461.\n-00026330: 3131 2c2d 3535 362e 3736 2031 3430 342e  11,-556.76 1404.\n-00026340: 3238 2c2d 3534 332e 3736 222f 3e0a 3c70  28,-543.76\"/>.<p\n-00026350: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n-00026360: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n-00026370: 3832 6663 6322 2070 6f69 6e74 733d 2231  82fcc\" points=\"1\n-00026380: 3430 352e 3031 2c2d 3534 302e 3333 2031  405.01,-540.33 1\n-00026390: 3339 342e 3438 2c2d 3534 312e 3531 2031  394.48,-541.51 1\n-000263a0: 3430 332e 3434 2c2d 3534 372e 3136 2031  403.44,-547.16 1\n-000263b0: 3430 352e 3031 2c2d 3534 302e 3333 222f  405.01,-540.33\"/\n-000263c0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-000263d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61  le_src_gromacs_a\n-000263e0: 7070 6c69 6564 5f66 6f72 6365 735f 6177  pplied_forces_aw\n-000263f0: 6826 2334 353b 2667 743b 6d6f 6475 6c65  h&#45;&gt;module\n-00026400: 5f73 7263 5f67 726f 6d61 6373 5f72 616e  _src_gromacs_ran\n-00026410: 646f 6d20 2d2d 3e0a 3c67 2069 643d 2265  dom -->.<g id=\"e\n-00026420: 6467 6532 3734 2220 636c 6173 733d 2265  dge274\" class=\"e\n-00026430: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-00026440: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00026450: 6170 706c 6965 645f 666f 7263 6573 5f61  applied_forces_a\n-00026460: 7768 2623 3435 3b26 6774 3b6d 6f64 756c  wh&#45;&gt;modul\n-00026470: 655f 7372 635f 6772 6f6d 6163 735f 7261  e_src_gromacs_ra\n-00026480: 6e64 6f6d 3c2f 7469 746c 653e 0a3c 7061  ndom</title>.<pa\n-00026490: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-000264a0: 7472 6f6b 653d 2262 6c61 636b 2220 7374  troke=\"black\" st\n-000264b0: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n-000264c0: 352c 3222 2064 3d22 4d31 3634 322e 3436  5,2\" d=\"M1642.46\n-000264d0: 2c2d 3538 342e 3743 3136 3932 2e36 392c  ,-584.7C1692.69,\n-000264e0: 2d35 3535 2e37 3420 3138 3334 2c2d 3436  -555.74 1834,-46\n-000264f0: 332e 3732 2031 3833 342c 2d33 3434 2e37  3.72 1834,-344.7\n-00026500: 3920 3138 3334 2c2d 3334 342e 3739 2031  9 1834,-344.79 1\n-00026510: 3833 342c 2d33 3434 2e37 3920 3138 3334  834,-344.79 1834\n-00026520: 2c2d 3237 392e 3932 2031 3833 342c 2d32  ,-279.92 1834,-2\n-00026530: 3434 2e37 3120 3138 3334 2c2d 3230 332e  44.71 1834,-203.\n-00026540: 3836 2031 3833 342c 2d31 3739 2e30 3322  86 1834,-179.03\"\n-00026550: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00026560: 3d22 626c 6163 6b22 2073 7472 6f6b 653d  =\"black\" stroke=\n-00026570: 2262 6c61 636b 2220 706f 696e 7473 3d22  \"black\" points=\"\n-00026580: 3138 3337 2e35 2c2d 3137 382e 3832 2031  1837.5,-178.82 1\n-00026590: 3833 342c 2d31 3638 2e38 3220 3138 3330  834,-168.82 1830\n-000265a0: 2e35 2c2d 3137 382e 3832 2031 3833 372e  .5,-178.82 1837.\n-000265b0: 352c 2d31 3738 2e38 3222 2f3e 0a3c 2f67  5,-178.82\"/>.</g\n-000265c0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-000265d0: 635f 6772 6f6d 6163 735f 6170 706c 6965  c_gromacs_applie\n-000265e0: 645f 666f 7263 6573 5f61 7768 2623 3435  d_forces_awh&#45\n-000265f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00026600: 6772 6f6d 6163 735f 6669 6c65 696f 202d  gromacs_fileio -\n-00026610: 2d3e 0a3c 6720 6964 3d22 6564 6765 3236  ->.<g id=\"edge26\n-00026620: 3922 2063 6c61 7373 3d22 6564 6765 223e  9\" class=\"edge\">\n-00026630: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00026640: 7263 5f67 726f 6d61 6373 5f61 7070 6c69  rc_gromacs_appli\n-00026650: 6564 5f66 6f72 6365 735f 6177 6826 2334  ed_forces_awh&#4\n-00026660: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00026670: 5f67 726f 6d61 6373 5f66 696c 6569 6f3c  _gromacs_fileio<\n-00026680: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00026690: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-000266a0: 3d22 2362 6662 6662 6622 2064 3d22 4d31  =\"#bfbfbf\" d=\"M1\n-000266b0: 3633 352e 3534 2c2d 3630 372e 3639 4331  635.54,-607.69C1\n-000266c0: 3634 302e 3033 2c2d 3631 372e 3433 2031  640.03,-617.43 1\n-000266d0: 3634 332e 3536 2c2d 3633 312e 3835 2031  643.56,-631.85 1\n-000266e0: 3634 352c 2d36 3434 2e37 2031 3634 392e  645,-644.7 1649.\n-000266f0: 3434 2c2d 3638 342e 3334 2031 3635 332e  44,-684.34 1653.\n-00026700: 3631 2c2d 3639 352e 3520 3136 3435 2c2d  61,-695.5 1645,-\n-00026710: 3733 342e 3434 2031 3633 312e 3736 2c2d  734.44 1631.76,-\n-00026720: 3739 342e 3331 2031 3539 352e 3736 2c2d  794.31 1595.76,-\n-00026730: 3835 382e 3032 2031 3537 332e 3139 2c2d  858.02 1573.19,-\n-00026740: 3838 392e 3138 222f 3e0a 3c70 6f6c 7967  889.18\"/>.<polyg\n-00026750: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n-00026760: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-00026770: 6622 2070 6f69 6e74 733d 2231 3537 302e  f\" points=\"1570.\n-00026780: 3139 2c2d 3838 372e 3334 2031 3536 362e  19,-887.34 1566.\n-00026790: 3933 2c2d 3839 372e 3432 2031 3537 352e  93,-897.42 1575.\n-000267a0: 3736 2c2d 3839 312e 3537 2031 3537 302e  76,-891.57 1570.\n-000267b0: 3139 2c2d 3838 372e 3334 222f 3e0a 3c2f  19,-887.34\"/>.</\n-000267c0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-000267d0: 7263 5f70 726f 6772 616d 735f 6d64 7275  rc_programs_mdru\n-000267e0: 6e5f 7465 7374 7320 2d2d 3e0a 3c67 2069  n_tests -->.<g i\n-000267f0: 643d 226e 6f64 6534 3922 2063 6c61 7373  d=\"node49\" class\n-00026800: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e  =\"node\">.<title>\n-00026810: 6d6f 6475 6c65 5f73 7263 5f70 726f 6772  module_src_progr\n-00026820: 616d 735f 6d64 7275 6e5f 7465 7374 733c  ams_mdrun_tests<\n-00026830: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261  /title>.<g id=\"a\n-00026840: 5f6e 6f64 6534 3922 3e3c 6120 786c 696e  _node49\"><a xlin\n-00026850: 6b3a 6872 6566 3d22 6772 6f75 705f 5f6d  k:href=\"group__m\n-00026860: 6f64 756c 655f 5f6d 6472 756e 5f5f 696e  odule__mdrun__in\n-00026870: 7465 6772 6174 696f 6e5f 5f74 6573 7473  tegration__tests\n-00026880: 2e78 6874 6d6c 2220 7461 7267 6574 3d22  .xhtml\" target=\"\n-00026890: 5f74 6f70 2220 786c 696e 6b3a 7469 746c  _top\" xlink:titl\n-000268a0: 653d 226d 6472 756e 5f69 6e74 6567 7261  e=\"mdrun_integra\n-000268b0: 7469 6f6e 5f74 6573 7473 223e 0a3c 656c  tion_tests\">.<el\n-000268c0: 6c69 7073 6520 6669 6c6c 3d22 2365 3563  lipse fill=\"#e5c\n-000268d0: 6366 6622 2073 7472 6f6b 653d 2262 6c61  cff\" stroke=\"bla\n-000268e0: 636b 2220 6378 3d22 3234 3936 2220 6379  ck\" cx=\"2496\" cy\n-000268f0: 3d22 2d31 3535 2e31 3822 2072 783d 2238  =\"-155.18\" rx=\"8\n-00026900: 352e 3632 2220 7279 3d22 3133 2e33 3722  5.62\" ry=\"13.37\"\n-00026910: 2f3e 0a3c 7465 7874 2074 6578 742d 616e  />.<text text-an\n-00026920: 6368 6f72 3d22 6d69 6464 6c65 2220 783d  chor=\"middle\" x=\n-00026930: 2232 3439 3622 2079 3d22 2d31 3532 2e36  \"2496\" y=\"-152.6\n-00026940: 3822 2066 6f6e 742d 6661 6d69 6c79 3d22  8\" font-family=\"\n-00026950: 4672 6565 5361 6e73 2220 666f 6e74 2d73  FreeSans\" font-s\n-00026960: 697a 653d 2231 302e 3030 223e 6d64 7275  ize=\"10.00\">mdru\n-00026970: 6e5f 696e 7465 6772 6174 696f 6e5f 7465  n_integration_te\n-00026980: 7374 733c 2f74 6578 743e 0a3c 2f61 3e0a  sts</text>.</a>.\n-00026990: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d  </g>.</g>.<!-- m\n-000269a0: 6f64 756c 655f 7372 635f 7072 6f67 7261  odule_src_progra\n-000269b0: 6d73 5f6d 6472 756e 5f74 6573 7473 2623  ms_mdrun_tests&#\n-000269c0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-000269d0: 635f 6772 6f6d 6163 735f 746f 6f6c 7320  c_gromacs_tools \n-000269e0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n-000269f0: 3735 2220 636c 6173 733d 2265 6467 6522  75\" class=\"edge\"\n-00026a00: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00026a10: 7372 635f 7072 6f67 7261 6d73 5f6d 6472  src_programs_mdr\n-00026a20: 756e 5f74 6573 7473 2623 3435 3b26 6774  un_tests&#45;&gt\n-00026a30: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00026a40: 6163 735f 746f 6f6c 733c 2f74 6974 6c65  acs_tools</title\n-00026a50: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00026a60: 6e65 2220 7374 726f 6b65 3d22 2332 6363  ne\" stroke=\"#2cc\n-00026a70: 6332 3822 2073 7472 6f6b 652d 6461 7368  c28\" stroke-dash\n-00026a80: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n-00026a90: 3235 3633 2e37 342c 2d31 3633 2e34 3843  2563.74,-163.48C\n-00026aa0: 3236 3237 2e34 342c 2d31 3731 2e33 3620  2627.44,-171.36 \n-00026ab0: 3237 3137 2e33 332c 2d31 3835 2e34 3220  2717.33,-185.42 \n-00026ac0: 3237 3437 2c2d 3230 342e 3631 2032 3738  2747,-204.61 278\n-00026ad0: 312e 3337 2c2d 3232 362e 3834 2032 3830  1.37,-226.84 280\n-00026ae0: 302c 2d32 3338 2e39 3920 3238 3030 2c2d  0,-238.99 2800,-\n-00026af0: 3237 392e 3932 2032 3830 302c 2d34 3037  279.92 2800,-407\n-00026b00: 2e36 3620 3238 3030 2c2d 3430 372e 3636  .66 2800,-407.66\n-00026b10: 2032 3830 302c 2d34 3037 2e36 3620 3238   2800,-407.66 28\n-00026b20: 3030 2c2d 3535 352e 3433 2032 3638 362c  00,-555.43 2686,\n-00026b30: 2d35 3732 2e32 3320 3236 3836 2c2d 3732  -572.23 2686,-72\n-00026b40: 302e 3031 2032 3638 362c 2d31 3033 362e  0.01 2686,-1036.\n-00026b50: 3336 2032 3638 362c 2d31 3033 362e 3336  36 2686,-1036.36\n-00026b60: 2032 3638 362c 2d31 3033 362e 3336 2032   2686,-1036.36 2\n-00026b70: 3638 362c 2d31 3137 392e 3133 2032 3533  686,-1179.13 253\n-00026b80: 372e 3332 2c2d 3131 3534 2e32 3420 3233  7.32,-1154.24 23\n-00026b90: 3936 2c2d 3131 3734 2e35 3320 3231 3636  96,-1174.53 2166\n-00026ba0: 2e30 342c 2d31 3230 372e 3536 2031 3432  .04,-1207.56 142\n-00026bb0: 312e 3538 2c2d 3132 3139 2e39 3720 3132  1.58,-1219.97 12\n-00026bc0: 3436 2e32 332c 2d31 3232 322e 3437 222f  46.23,-1222.47\"/\n-00026bd0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n-00026be0: 2223 3263 6363 3238 2220 7374 726f 6b65  \"#2ccc28\" stroke\n-00026bf0: 3d22 2332 6363 6332 3822 2070 6f69 6e74  =\"#2ccc28\" point\n-00026c00: 733d 2231 3234 352e 3933 2c2d 3132 3138  s=\"1245.93,-1218\n-00026c10: 2e39 3720 3132 3335 2e39 382c 2d31 3232  .97 1235.98,-122\n-00026c20: 322e 3631 2031 3234 362e 3033 2c2d 3132  2.61 1246.03,-12\n-00026c30: 3235 2e39 3720 3132 3435 2e39 332c 2d31  25.97 1245.93,-1\n-00026c40: 3231 382e 3937 222f 3e0a 3c2f 673e 0a3c  218.97\"/>.</g>.<\n-00026c50: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f70  !-- module_src_p\n-00026c60: 726f 6772 616d 735f 6d64 7275 6e5f 7465  rograms_mdrun_te\n-00026c70: 7374 7326 2334 353b 2667 743b 6d6f 6475  sts&#45;&gt;modu\n-00026c80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-00026c90: 6d78 616e 6120 2d2d 3e0a 3c67 2069 643d  mxana -->.<g id=\n-00026ca0: 2265 6467 6532 3832 2220 636c 6173 733d  \"edge282\" class=\n-00026cb0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-00026cc0: 6f64 756c 655f 7372 635f 7072 6f67 7261  odule_src_progra\n-00026cd0: 6d73 5f6d 6472 756e 5f74 6573 7473 2623  ms_mdrun_tests&#\n-00026ce0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00026cf0: 635f 6772 6f6d 6163 735f 676d 7861 6e61  c_gromacs_gmxana\n-00026d00: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00026d10: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00026d20: 653d 2223 3263 6363 3238 2220 7374 726f  e=\"#2ccc28\" stro\n-00026d30: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-00026d40: 3222 2064 3d22 4d32 3536 312e 3935 2c2d  2\" d=\"M2561.95,-\n-00026d50: 3136 332e 3843 3236 3239 2e32 382c 2d31  163.8C2629.28,-1\n-00026d60: 3735 2e36 3820 3237 3234 2c2d 3230 352e  75.68 2724,-205.\n-00026d70: 3620 3237 3234 2c2d 3237 392e 3932 2032  6 2724,-279.92 2\n-00026d80: 3732 342c 2d34 3037 2e36 3620 3237 3234  724,-407.66 2724\n-00026d90: 2c2d 3430 372e 3636 2032 3732 342c 2d34  ,-407.66 2724,-4\n-00026da0: 3037 2e36 3620 3237 3234 2c2d 3435 352e  07.66 2724,-455.\n-00026db0: 3138 2032 3438 302e 3138 2c2d 3639 392e  18 2480.18,-699.\n-00026dc0: 3437 2032 3434 382c 2d37 3334 2e34 3420  47 2448,-734.44 \n-00026dd0: 3233 3430 2e38 352c 2d38 3530 2e38 3720  2340.85,-850.87 \n-00026de0: 3233 3336 2e38 372c 2d39 3133 2e38 3720  2336.87,-913.87 \n-00026df0: 3231 3936 2c2d 3938 352e 3932 2032 3135  2196,-985.92 215\n-00026e00: 322e 3431 2c2d 3130 3038 2e32 3120 3230  2.41,-1008.21 20\n-00026e10: 3133 2e37 352c 2d31 3032 332e 3736 2031  13.75,-1023.76 1\n-00026e20: 3934 312e 3938 2c2d 3130 3330 2e35 3422  941.98,-1030.54\"\n-00026e30: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00026e40: 3d22 2332 6363 6332 3822 2073 7472 6f6b  =\"#2ccc28\" strok\n-00026e50: 653d 2223 3263 6363 3238 2220 706f 696e  e=\"#2ccc28\" poin\n-00026e60: 7473 3d22 3139 3431 2e35 332c 2d31 3032  ts=\"1941.53,-102\n-00026e70: 372e 3037 2031 3933 312e 392c 2d31 3033  7.07 1931.9,-103\n-00026e80: 312e 3438 2031 3934 322e 3138 2c2d 3130  1.48 1942.18,-10\n-00026e90: 3334 2e30 3420 3139 3431 2e35 332c 2d31  34.04 1941.53,-1\n-00026ea0: 3032 372e 3037 222f 3e0a 3c2f 673e 0a3c  027.07\"/>.</g>.<\n-00026eb0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f70  !-- module_src_p\n-00026ec0: 726f 6772 616d 735f 6d64 7275 6e5f 7465  rograms_mdrun_te\n-00026ed0: 7374 7326 2334 353b 2667 743b 6d6f 6475  sts&#45;&gt;modu\n-00026ee0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n-00026ef0: 6d78 7072 6570 726f 6365 7373 202d 2d3e  mxpreprocess -->\n-00026f00: 0a3c 6720 6964 3d22 6564 6765 3238 3322  .<g id=\"edge283\"\n-00026f10: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-00026f20: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00026f30: 5f70 726f 6772 616d 735f 6d64 7275 6e5f  _programs_mdrun_\n-00026f40: 7465 7374 7326 2334 353b 2667 743b 6d6f  tests&#45;&gt;mo\n-00026f50: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00026f60: 5f67 6d78 7072 6570 726f 6365 7373 3c2f  _gmxpreprocess</\n-00026f70: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00026f80: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-00026f90: 2223 3263 6363 3238 2220 7374 726f 6b65  \"#2ccc28\" stroke\n-00026fa0: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n-00026fb0: 2064 3d22 4d32 3537 352e 3039 2c2d 3136   d=\"M2575.09,-16\n-00026fc0: 302e 3335 4332 3635 332e 352c 2d31 3639  0.35C2653.5,-169\n-00026fd0: 2e32 3620 3237 3632 2c2d 3139 362e 3634  .26 2762,-196.64\n-00026fe0: 2032 3736 322c 2d32 3739 2e39 3220 3237   2762,-279.92 27\n-00026ff0: 3632 2c2d 3430 372e 3636 2032 3736 322c  62,-407.66 2762,\n-00027000: 2d34 3037 2e36 3620 3237 3632 2c2d 3430  -407.66 2762,-40\n-00027010: 372e 3636 2032 3736 322c 2d34 3636 2e35  7.66 2762,-466.5\n-00027020: 3720 3237 3230 2e37 372c 2d34 3638 2e37  7 2720.77,-468.7\n-00027030: 3220 3236 3930 2c2d 3531 382e 3936 2032  2 2690,-518.96 2\n-00027040: 3635 322e 3934 2c2d 3537 392e 3438 2032  652.94,-579.48 2\n-00027050: 3631 302c 2d35 3836 2e31 3720 3236 3130  610,-586.17 2610\n-00027060: 2c2d 3635 372e 3134 2032 3631 302c 2d31  ,-657.14 2610,-1\n-00027070: 3033 362e 3336 2032 3631 302c 2d31 3033  036.36 2610,-103\n-00027080: 362e 3336 2032 3631 302c 2d31 3033 362e  6.36 2610,-1036.\n-00027090: 3336 2032 3631 302c 2d31 3130 372e 3739  36 2610,-1107.79\n-000270a0: 2032 3533 362e 3539 2c2d 3130 3931 2e36   2536.59,-1091.6\n-000270b0: 3920 3234 3638 2c2d 3131 3131 2e36 3620  9 2468,-1111.66 \n-000270c0: 3233 3637 2e36 342c 2d31 3134 302e 3838  2367.64,-1140.88\n-000270d0: 2032 3036 312e 3831 2c2d 3131 3533 2e37   2061.81,-1153.7\n-000270e0: 3620 3139 3234 2e32 372c 2d31 3135 382e  6 1924.27,-1158.\n-000270f0: 3138 222f 3e0a 3c70 6f6c 7967 6f6e 2066  18\"/>.<polygon f\n-00027100: 696c 6c3d 2223 3263 6363 3238 2220 7374  ill=\"#2ccc28\" st\n-00027110: 726f 6b65 3d22 2332 6363 6332 3822 2070  roke=\"#2ccc28\" p\n-00027120: 6f69 6e74 733d 2231 3932 332e 3736 2c2d  oints=\"1923.76,-\n-00027130: 3131 3534 2e37 2031 3931 332e 3837 2c2d  1154.7 1913.87,-\n-00027140: 3131 3538 2e35 3120 3139 3233 2e39 382c  1158.51 1923.98,\n-00027150: 2d31 3136 312e 3639 2031 3932 332e 3736  -1161.69 1923.76\n-00027160: 2c2d 3131 3534 2e37 222f 3e0a 3c2f 673e  ,-1154.7\"/>.</g>\n-00027170: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00027180: 5f70 726f 6772 616d 735f 6d64 7275 6e5f  _programs_mdrun_\n-00027190: 7465 7374 7326 2334 353b 2667 743b 6d6f  tests&#45;&gt;mo\n-000271a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-000271b0: 5f68 6172 6477 6172 6520 2d2d 3e0a 3c67  _hardware -->.<g\n-000271c0: 2069 643d 2265 6467 6532 3737 2220 636c   id=\"edge277\" cl\n-000271d0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-000271e0: 6c65 3e6d 6f64 756c 655f 7372 635f 7072  le>module_src_pr\n-000271f0: 6f67 7261 6d73 5f6d 6472 756e 5f74 6573  ograms_mdrun_tes\n-00027200: 7473 2623 3435 3b26 6774 3b6d 6f64 756c  ts&#45;&gt;modul\n-00027210: 655f 7372 635f 6772 6f6d 6163 735f 6861  e_src_gromacs_ha\n-00027220: 7264 7761 7265 3c2f 7469 746c 653e 0a3c  rdware</title>.<\n-00027230: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00027240: 2073 7472 6f6b 653d 2223 3263 6363 3238   stroke=\"#2ccc28\n-00027250: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-00027260: 6179 3d22 352c 3222 2064 3d22 4d32 3439  ay=\"5,2\" d=\"M249\n-00027270: 312e 3134 2c2d 3136 382e 3933 4332 3437  1.14,-168.93C247\n-00027280: 392e 3539 2c2d 3139 372e 3236 2032 3434  9.59,-197.26 244\n-00027290: 372e 3535 2c2d 3236 352e 3139 2032 3339  7.55,-265.19 239\n-000272a0: 362c 2d32 3934 2e33 3520 3230 3238 2e39  6,-294.35 2028.9\n-000272b0: 312c 2d35 3032 2e30 3220 3932 302e 3839  1,-502.02 920.89\n-000272c0: 2c2d 3338 362e 3031 2035 3035 2c2d 3435  ,-386.01 505,-45\n-000272d0: 362e 3039 2035 3031 2e37 352c 2d34 3536  6.09 501.75,-456\n-000272e0: 2e36 3420 3439 382e 3431 2c2d 3435 372e  .64 498.41,-457.\n-000272f0: 3239 2034 3935 2e30 362c 2d34 3538 2e30  29 495.06,-458.0\n-00027300: 3122 2f3e 0a3c 706f 6c79 676f 6e20 6669  1\"/>.<polygon fi\n-00027310: 6c6c 3d22 2332 6363 6332 3822 2073 7472  ll=\"#2ccc28\" str\n-00027320: 6f6b 653d 2223 3263 6363 3238 2220 706f  oke=\"#2ccc28\" po\n-00027330: 696e 7473 3d22 3439 342e 3037 2c2d 3435  ints=\"494.07,-45\n-00027340: 342e 3635 2034 3835 2e31 312c 2d34 3630  4.65 485.11,-460\n-00027350: 2e33 3120 3439 352e 3634 2c2d 3436 312e  .31 495.64,-461.\n-00027360: 3437 2034 3934 2e30 372c 2d34 3534 2e36  47 494.07,-454.6\n-00027370: 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  5\"/>.</g>.<!-- m\n-00027380: 6f64 756c 655f 7372 635f 7072 6f67 7261  odule_src_progra\n-00027390: 6d73 5f6d 6472 756e 5f74 6573 7473 2623  ms_mdrun_tests&#\n-000273a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-000273b0: 635f 6772 6f6d 6163 735f 7472 616a 6563  c_gromacs_trajec\n-000273c0: 746f 7279 202d 2d3e 0a3c 6720 6964 3d22  tory -->.<g id=\"\n-000273d0: 6564 6765 3237 3822 2063 6c61 7373 3d22  edge278\" class=\"\n-000273e0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-000273f0: 6475 6c65 5f73 7263 5f70 726f 6772 616d  dule_src_program\n-00027400: 735f 6d64 7275 6e5f 7465 7374 7326 2334  s_mdrun_tests&#4\n-00027410: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00027420: 5f67 726f 6d61 6373 5f74 7261 6a65 6374  _gromacs_traject\n-00027430: 6f72 793c 2f74 6974 6c65 3e0a 3c70 6174  ory</title>.<pat\n-00027440: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00027450: 726f 6b65 3d22 2332 6363 6332 3822 2073  roke=\"#2ccc28\" s\n-00027460: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n-00027470: 2235 2c32 2220 643d 224d 3234 3130 2e34  \"5,2\" d=\"M2410.4\n-00027480: 2c2d 3135 352e 3138 4332 3237 342e 3432  ,-155.18C2274.42\n-00027490: 2c2d 3135 352e 3138 2032 3133 382e 3434  ,-155.18 2138.44\n-000274a0: 2c2d 3135 352e 3138 2032 3030 322e 3436  ,-155.18 2002.46\n-000274b0: 2c2d 3135 352e 3138 222f 3e0a 3c70 6f6c  ,-155.18\"/>.<pol\n-000274c0: 7967 6f6e 2066 696c 6c3d 2223 3263 6363  ygon fill=\"#2ccc\n-000274d0: 3238 2220 7374 726f 6b65 3d22 2332 6363  28\" stroke=\"#2cc\n-000274e0: 6332 3822 2070 6f69 6e74 733d 2232 3030  c28\" points=\"200\n-000274f0: 322e 3235 2c2d 3135 312e 3638 2031 3939  2.25,-151.68 199\n-00027500: 322e 3235 2c2d 3135 352e 3138 2032 3030  2.25,-155.18 200\n-00027510: 322e 3235 2c2d 3135 382e 3638 2032 3030  2.25,-158.68 200\n-00027520: 322e 3235 2c2d 3135 312e 3638 222f 3e0a  2.25,-151.68\"/>.\n-00027530: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n-00027540: 5f73 7263 5f70 726f 6772 616d 735f 6d64  _src_programs_md\n-00027550: 7275 6e5f 7465 7374 7326 2334 353b 2667  run_tests&#45;&g\n-00027560: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00027570: 6d61 6373 5f6d 6473 7061 6e20 2d2d 3e0a  macs_mdspan -->.\n-00027580: 3c67 2069 643d 2265 6467 6532 3830 2220  <g id=\"edge280\" \n-00027590: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-000275a0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-000275b0: 7072 6f67 7261 6d73 5f6d 6472 756e 5f74  programs_mdrun_t\n-000275c0: 6573 7473 2623 3435 3b26 6774 3b6d 6f64  ests&#45;&gt;mod\n-000275d0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-000275e0: 6d64 7370 616e 3c2f 7469 746c 653e 0a3c  mdspan</title>.<\n-000275f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00027600: 2073 7472 6f6b 653d 2272 6564 2220 643d   stroke=\"red\" d=\n-00027610: 224d 3234 3336 2e36 392c 2d31 3435 2e34  \"M2436.69,-145.4\n-00027620: 3343 3234 3235 2e38 342c 2d31 3434 2e30  3C2425.84,-144.0\n-00027630: 3320 3234 3134 2e35 392c 2d31 3432 2e37  3 2414.59,-142.7\n-00027640: 3320 3234 3034 2c2d 3134 312e 3734 2032  3 2404,-141.74 2\n-00027650: 3232 382e 3539 2c2d 3132 352e 3336 2031  228.59,-125.36 1\n-00027660: 3637 392e 3037 2c2d 3130 312e 3920 3135  679.07,-101.9 15\n-00027670: 3136 2e36 352c 2d39 352e 3137 222f 3e0a  16.65,-95.17\"/>.\n-00027680: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272  <polygon fill=\"r\n-00027690: 6564 2220 7374 726f 6b65 3d22 7265 6422  ed\" stroke=\"red\"\n-000276a0: 2070 6f69 6e74 733d 2231 3531 362e 3635   points=\"1516.65\n-000276b0: 2c2d 3931 2e36 3720 3135 3036 2e35 312c  ,-91.67 1506.51,\n-000276c0: 2d39 342e 3736 2031 3531 362e 3336 2c2d  -94.76 1516.36,-\n-000276d0: 3938 2e36 3720 3135 3136 2e36 352c 2d39  98.67 1516.65,-9\n-000276e0: 312e 3637 222f 3e0a 3c2f 673e 0a3c 212d  1.67\"/>.</g>.<!-\n-000276f0: 2d20 6d6f 6475 6c65 5f73 7263 5f70 726f  - module_src_pro\n-00027700: 6772 616d 735f 6d64 7275 6e5f 7465 7374  grams_mdrun_test\n-00027710: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-00027720: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d  _src_gromacs_com\n-00027730: 6d61 6e64 6c69 6e65 202d 2d3e 0a3c 6720  mandline -->.<g \n-00027740: 6964 3d22 6564 6765 3238 3122 2063 6c61  id=\"edge281\" cla\n-00027750: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00027760: 653e 6d6f 6475 6c65 5f73 7263 5f70 726f  e>module_src_pro\n-00027770: 6772 616d 735f 6d64 7275 6e5f 7465 7374  grams_mdrun_test\n-00027780: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n-00027790: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d  _src_gromacs_com\n-000277a0: 6d61 6e64 6c69 6e65 3c2f 7469 746c 653e  mandline</title>\n-000277b0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-000277c0: 6522 2073 7472 6f6b 653d 2223 3263 6363  e\" stroke=\"#2ccc\n-000277d0: 3238 2220 7374 726f 6b65 2d64 6173 6861  28\" stroke-dasha\n-000277e0: 7272 6179 3d22 352c 3222 2064 3d22 4d32  rray=\"5,2\" d=\"M2\n-000277f0: 3433 352e 3137 2c2d 3134 352e 3632 4332  435.17,-145.62C2\n-00027800: 3432 342e 3738 2c2d 3134 342e 3236 2032  424.78,-144.26 2\n-00027810: 3431 342e 3039 2c2d 3134 322e 3931 2032  414.09,-142.91 2\n-00027820: 3430 342c 2d31 3431 2e37 3420 3232 3434  404,-141.74 2244\n-00027830: 2e37 322c 2d31 3233 2e32 3720 3230 3536  .72,-123.27 2056\n-00027840: 2e33 332c 2d31 3036 2e33 3520 3139 3632  .33,-106.35 1962\n-00027850: 2e38 2c2d 3938 2e32 3822 2f3e 0a3c 706f  .8,-98.28\"/>.<po\n-00027860: 6c79 676f 6e20 6669 6c6c 3d22 2332 6363  lygon fill=\"#2cc\n-00027870: 6332 3822 2073 7472 6f6b 653d 2223 3263  c28\" stroke=\"#2c\n-00027880: 6363 3238 2220 706f 696e 7473 3d22 3139  cc28\" points=\"19\n-00027890: 3632 2e39 352c 2d39 342e 3738 2031 3935  62.95,-94.78 195\n-000278a0: 322e 3638 2c2d 3937 2e34 3120 3139 3632  2.68,-97.41 1962\n-000278b0: 2e33 352c 2d31 3031 2e37 3520 3139 3632  .35,-101.75 1962\n-000278c0: 2e39 352c 2d39 342e 3738 222f 3e0a 3c2f  .95,-94.78\"/>.</\n-000278d0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-000278e0: 7263 5f70 726f 6772 616d 735f 6d64 7275  rc_programs_mdru\n-000278f0: 6e5f 7465 7374 7326 2334 353b 2667 743b  n_tests&#45;&gt;\n-00027900: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00027910: 6373 5f6f 6e6c 696e 6568 656c 7020 2d2d  cs_onlinehelp --\n-00027920: 3e0a 3c67 2069 643d 2265 6467 6532 3834  >.<g id=\"edge284\n-00027930: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-00027940: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00027950: 635f 7072 6f67 7261 6d73 5f6d 6472 756e  c_programs_mdrun\n-00027960: 5f74 6573 7473 2623 3435 3b26 6774 3b6d  _tests&#45;&gt;m\n-00027970: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00027980: 735f 6f6e 6c69 6e65 6865 6c70 3c2f 7469  s_onlinehelp</ti\n-00027990: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-000279a0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-000279b0: 3263 6363 3238 2220 7374 726f 6b65 2d64  2ccc28\" stroke-d\n-000279c0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-000279d0: 3d22 4d32 3437 362e 3836 2c2d 3134 312e  =\"M2476.86,-141.\n-000279e0: 3934 4332 3435 332e 3133 2c2d 3132 362e  94C2453.13,-126.\n-000279f0: 3835 2032 3431 312e 3335 2c2d 3130 302e  85 2411.35,-100.\n-00027a00: 3533 2032 3337 352c 2d37 382e 3837 2032  53 2375,-78.87 2\n-00027a10: 3335 362e 3436 2c2d 3637 2e38 3220 3233  356.46,-67.82 23\n-00027a20: 3335 2e33 382c 2d35 352e 3831 2032 3331  35.38,-55.81 231\n-00027a30: 382e 3836 2c2d 3436 2e35 3122 2f3e 0a3c  8.86,-46.51\"/>.<\n-00027a40: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n-00027a50: 6363 6332 3822 2073 7472 6f6b 653d 2223  ccc28\" stroke=\"#\n-00027a60: 3263 6363 3238 2220 706f 696e 7473 3d22  2ccc28\" points=\"\n-00027a70: 3233 3230 2e31 342c 2d34 332e 3232 2032  2320.14,-43.22 2\n-00027a80: 3330 392e 3731 2c2d 3431 2e33 3820 3233  309.71,-41.38 23\n-00027a90: 3136 2e37 322c 2d34 392e 3332 2032 3332  16.72,-49.32 232\n-00027aa0: 302e 3134 2c2d 3433 2e32 3222 2f3e 0a3c  0.14,-43.22\"/>.<\n-00027ab0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-00027ac0: 7372 635f 7072 6f67 7261 6d73 5f6d 6472  src_programs_mdr\n-00027ad0: 756e 5f74 6573 7473 2623 3435 3b26 6774  un_tests&#45;&gt\n-00027ae0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00027af0: 6163 735f 6577 616c 6420 2d2d 3e0a 3c67  acs_ewald -->.<g\n-00027b00: 2069 643d 2265 6467 6532 3736 2220 636c   id=\"edge276\" cl\n-00027b10: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00027b20: 6c65 3e6d 6f64 756c 655f 7372 635f 7072  le>module_src_pr\n-00027b30: 6f67 7261 6d73 5f6d 6472 756e 5f74 6573  ograms_mdrun_tes\n-00027b40: 7473 2623 3435 3b26 6774 3b6d 6f64 756c  ts&#45;&gt;modul\n-00027b50: 655f 7372 635f 6772 6f6d 6163 735f 6577  e_src_gromacs_ew\n-00027b60: 616c 643c 2f74 6974 6c65 3e0a 3c70 6174  ald</title>.<pat\n-00027b70: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00027b80: 726f 6b65 3d22 2332 6363 6332 3822 2073  roke=\"#2ccc28\" s\n-00027b90: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n-00027ba0: 2235 2c32 2220 643d 224d 3234 3634 2e32  \"5,2\" d=\"M2464.2\n-00027bb0: 392c 2d31 3637 2e37 3543 3234 3434 2e36  9,-167.75C2444.6\n-00027bc0: 372c 2d31 3734 2e38 3520 3234 3138 2e37  7,-174.85 2418.7\n-00027bd0: 382c 2d31 3832 2e39 3920 3233 3935 2c2d  8,-182.99 2395,-\n-00027be0: 3138 362e 3631 2032 3231 352e 3935 2c2d  186.61 2215.95,-\n-00027bf0: 3231 332e 3833 2039 3435 2e34 362c 2d32  213.83 945.46,-2\n-00027c00: 3031 2e39 3120 3736 352c 2d31 3836 2e36  01.91 765,-186.6\n-00027c10: 3120 3731 332e 322c 2d31 3832 2e32 3220  1 713.2,-182.22 \n-00027c20: 3635 342e 3037 2c2d 3137 302e 3939 2036  654.07,-170.99 6\n-00027c30: 3137 2e31 332c 2d31 3633 2e32 3122 2f3e  17.13,-163.21\"/>\n-00027c40: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-00027c50: 2332 6363 6332 3822 2073 7472 6f6b 653d  #2ccc28\" stroke=\n-00027c60: 2223 3263 6363 3238 2220 706f 696e 7473  \"#2ccc28\" points\n-00027c70: 3d22 3631 372e 3834 2c2d 3135 392e 3738  =\"617.84,-159.78\n-00027c80: 2036 3037 2e33 332c 2d31 3631 2e31 3220   607.33,-161.12 \n-00027c90: 3631 362e 3338 2c2d 3136 362e 3633 2036  616.38,-166.63 6\n-00027ca0: 3137 2e38 342c 2d31 3539 2e37 3822 2f3e  17.84,-159.78\"/>\n-00027cb0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00027cc0: 655f 7372 635f 7072 6f67 7261 6d73 5f6d  e_src_programs_m\n-00027cd0: 6472 756e 5f74 6573 7473 2623 3435 3b26  drun_tests&#45;&\n-00027ce0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00027cf0: 6f6d 6163 735f 6669 6c65 696f 202d 2d3e  omacs_fileio -->\n-00027d00: 0a3c 6720 6964 3d22 6564 6765 3237 3922  .<g id=\"edge279\"\n-00027d10: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-00027d20: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00027d30: 5f70 726f 6772 616d 735f 6d64 7275 6e5f  _programs_mdrun_\n-00027d40: 7465 7374 7326 2334 353b 2667 743b 6d6f  tests&#45;&gt;mo\n-00027d50: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00027d60: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a  _fileio</title>.\n-00027d70: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-00027d80: 2220 7374 726f 6b65 3d22 2332 6363 6332  \" stroke=\"#2ccc2\n-00027d90: 3822 2073 7472 6f6b 652d 6461 7368 6172  8\" stroke-dashar\n-00027da0: 7261 793d 2235 2c32 2220 643d 224d 3235  ray=\"5,2\" d=\"M25\n-00027db0: 3436 2e34 322c 2d31 3636 2e31 3643 3236  46.42,-166.16C26\n-00027dc0: 3032 2e37 312c 2d31 3830 2e35 3820 3236  02.71,-180.58 26\n-00027dd0: 3836 2c2d 3231 332e 3139 2032 3638 362c  86,-213.19 2686,\n-00027de0: 2d32 3739 2e39 3220 3236 3836 2c2d 3430  -279.92 2686,-40\n-00027df0: 372e 3636 2032 3638 362c 2d34 3037 2e36  7.66 2686,-407.6\n-00027e00: 3620 3236 3836 2c2d 3430 372e 3636 2032  6 2686,-407.66 2\n-00027e10: 3638 362c 2d34 3439 2e33 3620 3236 3538  686,-449.36 2658\n-00027e20: 2e30 392c 2d34 3532 2e31 3320 3236 3330  .09,-452.13 2630\n-00027e30: 2c2d 3438 322e 3936 2032 3538 352e 3732  ,-482.96 2585.72\n-00027e40: 2c2d 3533 312e 3535 2032 3536 322e 3036  ,-531.55 2562.06\n-00027e50: 2c2d 3533 312e 3331 2032 3532 302c 2d35  ,-531.31 2520,-5\n-00027e60: 3831 2e38 3320 3234 3638 2e34 332c 2d36  81.83 2468.43,-6\n-00027e70: 3433 2e37 3820 3234 3831 2e35 362c 2d36  43.78 2481.56,-6\n-00027e80: 3830 2e31 3320 3234 3232 2c2d 3733 342e  80.13 2422,-734.\n-00027e90: 3434 2032 3239 342e 362c 2d38 3530 2e36  44 2294.6,-850.6\n-00027ea0: 3120 3232 3234 2e39 352c 2d38 3331 2e30  1 2224.95,-831.0\n-00027eb0: 3820 3230 3535 2c2d 3836 302e 3138 2031  8 2055,-860.18 1\n-00027ec0: 3838 332e 332c 2d38 3839 2e35 3820 3136  883.3,-889.58 16\n-00027ed0: 3735 2e31 342c 2d39 3032 2e35 3920 3135  75.14,-902.59 15\n-00027ee0: 3931 2e39 352c 2d39 3036 2e38 3922 2f3e  91.95,-906.89\"/>\n-00027ef0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-00027f00: 2332 6363 6332 3822 2073 7472 6f6b 653d  #2ccc28\" stroke=\n-00027f10: 2223 3263 6363 3238 2220 706f 696e 7473  \"#2ccc28\" points\n-00027f20: 3d22 3135 3931 2e35 352c 2d39 3033 2e34  =\"1591.55,-903.4\n-00027f30: 2031 3538 312e 3734 2c2d 3930 372e 3420   1581.74,-907.4 \n-00027f40: 3135 3931 2e39 312c 2d39 3130 2e33 3920  1591.91,-910.39 \n-00027f50: 3135 3931 2e35 352c 2d39 3033 2e34 222f  1591.55,-903.4\"/\n-00027f60: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00027f70: 6c65 5f73 7263 5f74 6573 7475 7469 6c73  le_src_testutils\n-00027f80: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00027f90: 7372 635f 6772 6f6d 6163 735f 676d 7870  src_gromacs_gmxp\n-00027fa0: 7265 7072 6f63 6573 7320 2d2d 3e0a 3c67  reprocess -->.<g\n-00027fb0: 2069 643d 2265 6467 6532 3637 2220 636c   id=\"edge267\" cl\n-00027fc0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00027fd0: 6c65 3e6d 6f64 756c 655f 7372 635f 7465  le>module_src_te\n-00027fe0: 7374 7574 696c 7326 2334 353b 2667 743b  stutils&#45;&gt;\n-00027ff0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00028000: 6373 5f67 6d78 7072 6570 726f 6365 7373  cs_gmxpreprocess\n-00028010: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00028020: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00028030: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n-00028040: 3235 3133 2e33 392c 2d35 3430 2e38 3143  2513.39,-540.81C\n-00028050: 3235 3630 2e30 392c 2d35 3534 2e39 3220  2560.09,-554.92 \n-00028060: 3236 3438 2c2d 3539 302e 3334 2032 3634  2648,-590.34 264\n-00028070: 382c 2d36 3537 2e31 3420 3236 3438 2c2d  8,-657.14 2648,-\n-00028080: 3130 3336 2e33 3620 3236 3438 2c2d 3130  1036.36 2648,-10\n-00028090: 3336 2e33 3620 3236 3438 2c2d 3130 3336  36.36 2648,-1036\n-000280a0: 2e33 3620 3236 3438 2c2d 3130 3731 2e34  .36 2648,-1071.4\n-000280b0: 3820 3236 3531 2e36 392c 2d31 3039 302e  8 2651.69,-1090.\n-000280c0: 3035 2032 3632 342c 2d31 3131 312e 3636  05 2624,-1111.66\n-000280d0: 2032 3536 392e 362c 2d31 3135 342e 3131   2569.6,-1154.11\n-000280e0: 2032 3130 322e 3734 2c2d 3131 3539 2e35   2102.74,-1159.5\n-000280f0: 3920 3139 3234 2e36 342c 2d31 3136 302e  9 1924.64,-1160.\n-00028100: 3132 222f 3e0a 3c70 6f6c 7967 6f6e 2066  12\"/>.<polygon f\n-00028110: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n-00028120: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n-00028130: 6f69 6e74 733d 2231 3932 342e 3539 2c2d  oints=\"1924.59,-\n-00028140: 3131 3536 2e36 3220 3139 3134 2e36 2c2d  1156.62 1914.6,-\n-00028150: 3131 3630 2e31 3520 3139 3234 2e36 312c  1160.15 1924.61,\n-00028160: 2d31 3136 332e 3632 2031 3932 342e 3539  -1163.62 1924.59\n-00028170: 2c2d 3131 3536 2e36 3222 2f3e 0a3c 2f67  ,-1156.62\"/>.</g\n-00028180: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-00028190: 635f 7465 7374 7574 696c 7326 2334 353b  c_testutils&#45;\n-000281a0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-000281b0: 726f 6d61 6373 5f68 6172 6477 6172 6520  romacs_hardware \n-000281c0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n-000281d0: 3634 2220 636c 6173 733d 2265 6467 6522  64\" class=\"edge\"\n-000281e0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-000281f0: 7372 635f 7465 7374 7574 696c 7326 2334  src_testutils&#4\n-00028200: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00028210: 5f67 726f 6d61 6373 5f68 6172 6477 6172  _gromacs_hardwar\n-00028220: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820  e</title>.<path \n-00028230: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-00028240: 6b65 3d22 7265 6422 2064 3d22 4d32 3435  ke=\"red\" d=\"M245\n-00028250: 332e 3537 2c2d 3532 352e 3537 4332 3433  3.57,-525.57C243\n-00028260: 382e 3632 2c2d 3532 332e 3036 2032 3432  8.62,-523.06 242\n-00028270: 302e 3434 2c2d 3532 302e 3337 2032 3430  0.44,-520.37 240\n-00028280: 342c 2d35 3138 2e39 3620 3139 3833 2e34  4,-518.96 1983.4\n-00028290: 372c 2d34 3832 2e38 3620 3932 332e 3331  7,-482.86 923.31\n-000282a0: 2c2d 3533 392e 3234 2035 3035 2c2d 3438  ,-539.24 505,-48\n-000282b0: 322e 3936 2035 3031 2e35 352c 2d34 3832  2.96 501.55,-482\n-000282c0: 2e35 2034 3937 2e39 392c 2d34 3831 2e38  .5 497.99,-481.8\n-000282d0: 3820 3439 342e 3433 2c2d 3438 312e 3136  8 494.43,-481.16\n-000282e0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-000282f0: 6c3d 2272 6564 2220 7374 726f 6b65 3d22  l=\"red\" stroke=\"\n-00028300: 7265 6422 2070 6f69 6e74 733d 2234 3935  red\" points=\"495\n-00028310: 2e30 372c 2d34 3737 2e37 3220 3438 342e  .07,-477.72 484.\n-00028320: 3534 2c2d 3437 382e 3934 2034 3933 2e35  54,-478.94 493.5\n-00028330: 332c 2d34 3834 2e35 3520 3439 352e 3037  3,-484.55 495.07\n-00028340: 2c2d 3437 372e 3732 222f 3e0a 3c2f 673e  ,-477.72\"/>.</g>\n-00028350: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00028360: 5f74 6573 7475 7469 6c73 2623 3435 3b26  _testutils&#45;&\n-00028370: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00028380: 6f6d 6163 735f 6770 755f 7574 696c 7320  omacs_gpu_utils \n-00028390: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n-000283a0: 3633 2220 636c 6173 733d 2265 6467 6522  63\" class=\"edge\"\n-000283b0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-000283c0: 7372 635f 7465 7374 7574 696c 7326 2334  src_testutils&#4\n-000283d0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-000283e0: 5f67 726f 6d61 6373 5f67 7075 5f75 7469  _gromacs_gpu_uti\n-000283f0: 6c73 3c2f 7469 746c 653e 0a3c 7061 7468  ls</title>.<path\n-00028400: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-00028410: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n-00028420: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n-00028430: 352c 3222 2064 3d22 4d32 3435 332e 3136  5,2\" d=\"M2453.16\n-00028440: 2c2d 3532 352e 3833 4332 3433 382e 3236  ,-525.83C2438.26\n-00028450: 2c2d 3532 332e 3420 3234 3230 2e32 372c  ,-523.4 2420.27,\n-00028460: 2d35 3230 2e37 3220 3234 3034 2c2d 3531  -520.72 2404,-51\n-00028470: 382e 3936 2031 3732 332e 3634 2c2d 3434  8.96 1723.64,-44\n-00028480: 352e 3532 2038 3930 2e37 2c2d 3431 352e  5.52 890.7,-415.\n-00028490: 3735 2036 3831 2e34 362c 2d34 3039 2e31  75 681.46,-409.1\n-000284a0: 3422 2f3e 0a3c 706f 6c79 676f 6e20 6669  4\"/>.<polygon fi\n-000284b0: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n-000284c0: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n-000284d0: 696e 7473 3d22 3638 312e 352c 2d34 3035  ints=\"681.5,-405\n-000284e0: 2e36 3420 3637 312e 342c 2d34 3038 2e38  .64 671.4,-408.8\n-000284f0: 3220 3638 312e 3238 2c2d 3431 322e 3633  2 681.28,-412.63\n-00028500: 2036 3831 2e35 2c2d 3430 352e 3634 222f   681.5,-405.64\"/\n-00028510: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00028520: 6c65 5f73 7263 5f74 6573 7475 7469 6c73  le_src_testutils\n-00028530: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00028540: 7372 635f 6772 6f6d 6163 735f 636f 6d6d  src_gromacs_comm\n-00028550: 616e 646c 696e 6520 2d2d 3e0a 3c67 2069  andline -->.<g i\n-00028560: 643d 2265 6467 6532 3635 2220 636c 6173  d=\"edge265\" clas\n-00028570: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-00028580: 3e6d 6f64 756c 655f 7372 635f 7465 7374  >module_src_test\n-00028590: 7574 696c 7326 2334 353b 2667 743b 6d6f  utils&#45;&gt;mo\n-000285a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-000285b0: 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f 7469  _commandline</ti\n-000285c0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-000285d0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-000285e0: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n-000285f0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-00028600: 3d22 4d32 3530 372e 3335 2c2d 3532 312e  =\"M2507.35,-521.\n-00028610: 3732 4332 3534 332e 332c 2d35 3034 2e34  72C2543.3,-504.4\n-00028620: 3620 3236 3130 2c2d 3436 342e 3736 2032  6 2610,-464.76 2\n-00028630: 3631 302c 2d34 3037 2e36 3620 3236 3130  610,-407.66 2610\n-00028640: 2c2d 3430 372e 3636 2032 3631 302c 2d34  ,-407.66 2610,-4\n-00028650: 3037 2e36 3620 3236 3130 2c2d 3231 372e  07.66 2610,-217.\n-00028660: 3035 2032 3631 302c 2d31 3832 2e35 3320  05 2610,-182.53 \n-00028670: 3236 3137 2e34 372c 2d31 3633 2e39 2032  2617.47,-163.9 2\n-00028680: 3539 312c 2d31 3431 2e37 3420 3235 3637  591,-141.74 2567\n-00028690: 2e32 2c2d 3132 312e 3831 2032 3132 392e  .2,-121.81 2129.\n-000286a0: 3834 2c2d 3130 322e 3334 2031 3936 352e  84,-102.34 1965.\n-000286b0: 3632 2c2d 3935 2e37 222f 3e0a 3c70 6f6c  62,-95.7\"/>.<pol\n-000286c0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n-000286d0: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n-000286e0: 6663 6322 2070 6f69 6e74 733d 2231 3936  fcc\" points=\"196\n-000286f0: 352e 3334 2c2d 3932 2e31 3920 3139 3535  5.34,-92.19 1955\n-00028700: 2e32 2c2d 3935 2e32 3820 3139 3635 2e30  .2,-95.28 1965.0\n-00028710: 362c 2d39 392e 3138 2031 3936 352e 3334  6,-99.18 1965.34\n-00028720: 2c2d 3932 2e31 3922 2f3e 0a3c 2f67 3e0a  ,-92.19\"/>.</g>.\n-00028730: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-00028740: 7465 7374 7574 696c 7326 2334 353b 2667  testutils&#45;&g\n-00028750: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00028760: 6d61 6373 5f6f 6e6c 696e 6568 656c 7020  macs_onlinehelp \n-00028770: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n-00028780: 3636 2220 636c 6173 733d 2265 6467 6522  66\" class=\"edge\"\n-00028790: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-000287a0: 7372 635f 7465 7374 7574 696c 7326 2334  src_testutils&#4\n-000287b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-000287c0: 5f67 726f 6d61 6373 5f6f 6e6c 696e 6568  _gromacs_onlineh\n-000287d0: 656c 703c 2f74 6974 6c65 3e0a 3c70 6174  elp</title>.<pat\n-000287e0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-000287f0: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n-00028800: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n-00028810: 2235 2c32 2220 643d 224d 3235 3133 2e33  \"5,2\" d=\"M2513.3\n-00028820: 392c 2d35 3233 2e39 3843 3235 3630 2e30  9,-523.98C2560.0\n-00028830: 392c 2d35 3039 2e38 3720 3236 3438 2c2d  9,-509.87 2648,-\n-00028840: 3437 342e 3435 2032 3634 382c 2d34 3037  474.45 2648,-407\n-00028850: 2e36 3620 3236 3438 2c2d 3430 372e 3636  .66 2648,-407.66\n-00028860: 2032 3634 382c 2d34 3037 2e36 3620 3236   2648,-407.66 26\n-00028870: 3438 2c2d 3135 342e 3138 2032 3634 382c  48,-154.18 2648,\n-00028880: 2d38 392e 3339 2032 3433 352e 3934 2c2d  -89.39 2435.94,-\n-00028890: 3531 2e30 3320 3233 3338 2e32 342c 2d33  51.03 2338.24,-3\n-000288a0: 362e 3822 2f3e 0a3c 706f 6c79 676f 6e20  6.8\"/>.<polygon \n-000288b0: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n-000288c0: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-000288d0: 706f 696e 7473 3d22 3233 3338 2e37 312c  points=\"2338.71,\n-000288e0: 2d33 332e 3333 2032 3332 382e 3331 2c2d  -33.33 2328.31,-\n-000288f0: 3335 2e33 3720 3233 3337 2e37 322c 2d34  35.37 2337.72,-4\n-00028900: 302e 3236 2032 3333 382e 3731 2c2d 3333  0.26 2338.71,-33\n-00028910: 2e33 3322 2f3e 0a3c 2f67 3e0a 3c2f 673e  .33\"/>.</g>.</g>\n-00028920: 0a3c 2f73 7667 3e0a                      .</svg>.\n+000226a0: 6163 735f 6d64 7275 6e26 2334 353b 2667  acs_mdrun&#45;&g\n+000226b0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+000226c0: 6d61 6373 5f6d 6472 756e 7574 696c 6974  macs_mdrunutilit\n+000226d0: 7920 2d2d 3e0a 3c67 2069 643d 2265 6467  y -->.<g id=\"edg\n+000226e0: 6532 3335 2220 636c 6173 733d 2265 6467  e235\" class=\"edg\n+000226f0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00022700: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+00022710: 7275 6e26 2334 353b 2667 743b 6d6f 6475  run&#45;&gt;modu\n+00022720: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00022730: 6472 756e 7574 696c 6974 793c 2f74 6974  drunutility</tit\n+00022740: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00022750: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n+00022760: 3832 6663 6322 2064 3d22 4d39 3239 2e32  82fcc\" d=\"M929.2\n+00022770: 342c 2d35 3831 2e39 3243 3932 392e 3935  4,-581.92C929.95\n+00022780: 2c2d 3536 362e 3731 2039 3336 2e36 312c  ,-566.71 936.61,\n+00022790: 2d35 3430 2e32 3820 3934 362c 2d35 3138  -540.28 946,-518\n+000227a0: 2e39 3620 3936 362e 3732 2c2d 3437 312e  .96 966.72,-471.\n+000227b0: 3932 2039 3836 2e32 312c 2d34 3637 2e35  92 986.21,-467.5\n+000227c0: 3320 3130 3036 2c2d 3432 302e 3039 2031  3 1006,-420.09 1\n+000227d0: 3034 312e 3639 2c2d 3333 342e 3534 2031  041.69,-334.54 1\n+000227e0: 3036 312e 3435 2c2d 3232 352e 3035 2031  061.45,-225.05 1\n+000227f0: 3037 322e 3738 2c2d 3137 382e 3622 2f3e  072.78,-178.6\"/>\n+00022800: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00022810: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n+00022820: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n+00022830: 3d22 3130 3736 2e32 332c 2d31 3739 2e32  =\"1076.23,-179.2\n+00022840: 3520 3130 3735 2e33 352c 2d31 3638 2e36  5 1075.35,-168.6\n+00022850: 3920 3130 3639 2e34 352c 2d31 3737 2e35  9 1069.45,-177.5\n+00022860: 2031 3037 362e 3233 2c2d 3137 392e 3235   1076.23,-179.25\n+00022870: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+00022880: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00022890: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d  _mdrun&#45;&gt;m\n+000228a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000228b0: 735f 7075 6c6c 696e 6720 2d2d 3e0a 3c67  s_pulling -->.<g\n+000228c0: 2069 643d 2265 6467 6532 3438 2220 636c   id=\"edge248\" cl\n+000228d0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+000228e0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+000228f0: 6f6d 6163 735f 6d64 7275 6e26 2334 353b  omacs_mdrun&#45;\n+00022900: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00022910: 726f 6d61 6373 5f70 756c 6c69 6e67 3c2f  romacs_pulling</\n+00022920: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00022930: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00022940: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+00022950: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+00022960: 2064 3d22 4d39 3338 2e39 372c 2d35 3831   d=\"M938.97,-581\n+00022970: 2e39 3343 3934 362e 3439 2c2d 3536 362e  .93C946.49,-566.\n+00022980: 3733 2039 3630 2e31 312c 2d35 3430 2e32  73 960.11,-540.2\n+00022990: 3920 3937 342c 2d35 3138 2e39 3620 3130  9 974,-518.96 10\n+000229a0: 3034 2e32 332c 2d34 3732 2e35 3120 3130  04.23,-472.51 10\n+000229b0: 3138 2e38 342c 2d34 3635 2e39 3320 3130  18.84,-465.93 10\n+000229c0: 3530 2c2d 3432 302e 3039 2031 3036 322e  50,-420.09 1062.\n+000229d0: 3132 2c2d 3430 322e 3235 2031 3037 342e  12,-402.25 1074.\n+000229e0: 362c 2d33 3831 2e31 3120 3130 3833 2e33  6,-381.11 1083.3\n+000229f0: 342c 2d33 3635 2e37 3722 2f3e 0a3c 706f  4,-365.77\"/>.<po\n+00022a00: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n+00022a10: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n+00022a20: 3266 6363 2220 706f 696e 7473 3d22 3130  2fcc\" points=\"10\n+00022a30: 3836 2e33 392c 2d33 3637 2e34 3820 3130  86.39,-367.48 10\n+00022a40: 3838 2e32 352c 2d33 3537 2e30 3520 3130  88.25,-357.05 10\n+00022a50: 3830 2e32 392c 2d33 3634 2e30 3520 3130  80.29,-364.05 10\n+00022a60: 3836 2e33 392c 2d33 3637 2e34 3822 2f3e  86.39,-367.48\"/>\n+00022a70: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+00022a80: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+00022a90: 7275 6e26 2334 353b 2667 743b 6d6f 6475  run&#45;&gt;modu\n+00022aa0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63  le_src_gromacs_c\n+00022ab0: 6f6d 6d61 6e64 6c69 6e65 202d 2d3e 0a3c  ommandline -->.<\n+00022ac0: 6720 6964 3d22 6564 6765 3232 3822 2063  g id=\"edge228\" c\n+00022ad0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00022ae0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00022af0: 726f 6d61 6373 5f6d 6472 756e 2623 3435  romacs_mdrun&#45\n+00022b00: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00022b10: 6772 6f6d 6163 735f 636f 6d6d 616e 646c  gromacs_commandl\n+00022b20: 696e 653c 2f74 6974 6c65 3e0a 3c70 6174  ine</title>.<pat\n+00022b30: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00022b40: 726f 6b65 3d22 2332 3832 6663 6322 2064  roke=\"#282fcc\" d\n+00022b50: 3d22 4d39 3032 2e31 312c 2d35 3933 2e34  =\"M902.11,-593.4\n+00022b60: 3843 3836 322e 3334 2c2d 3539 302e 3938  8C862.34,-590.98\n+00022b70: 2037 3932 2e39 312c 2d35 3831 2e33 3720   792.91,-581.37 \n+00022b80: 3734 372c 2d35 3435 2e38 3320 3636 382e  747,-545.83 668.\n+00022b90: 3834 2c2d 3438 352e 3333 2036 3831 2e31  84,-485.33 681.1\n+00022ba0: 392c 2d34 3238 2e36 2036 3932 2c2d 3333  9,-428.6 692,-33\n+00022bb0: 302e 3335 2037 3032 2e31 362c 2d32 3338  0.35 702.16,-238\n+00022bc0: 2e30 3320 3730 302e 3932 2c2d 3138 372e  .03 700.92,-187.\n+00022bd0: 3034 2037 3832 2c2d 3134 312e 3734 2038  04 782,-141.74 8\n+00022be0: 3038 2e36 322c 2d31 3236 2e38 3720 3838  08.62,-126.87 88\n+00022bf0: 362e 3437 2c2d 3131 312e 3320 3933 392e  6.47,-111.3 939.\n+00022c00: 3533 2c2d 3130 312e 3935 222f 3e0a 3c70  53,-101.95\"/>.<p\n+00022c10: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n+00022c20: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n+00022c30: 3832 6663 6322 2070 6f69 6e74 733d 2239  82fcc\" points=\"9\n+00022c40: 3430 2e32 2c2d 3130 352e 3338 2039 3439  40.2,-105.38 949\n+00022c50: 2e34 362c 2d31 3030 2e32 3220 3933 392c  .46,-100.22 939,\n+00022c60: 2d39 382e 3439 2039 3430 2e32 2c2d 3130  -98.49 940.2,-10\n+00022c70: 352e 3338 222f 3e0a 3c2f 673e 0a3c 212d  5.38\"/>.</g>.<!-\n+00022c80: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+00022c90: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n+00022ca0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00022cb0: 6f6d 6163 735f 6170 706c 6965 645f 666f  omacs_applied_fo\n+00022cc0: 7263 6573 202d 2d3e 0a3c 6720 6964 3d22  rces -->.<g id=\"\n+00022cd0: 6564 6765 3235 3122 2063 6c61 7373 3d22  edge251\" class=\"\n+00022ce0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00022cf0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00022d00: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d  _mdrun&#45;&gt;m\n+00022d10: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00022d20: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n+00022d30: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00022d40: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00022d50: 653d 2272 6564 2220 643d 224d 3931 332e  e=\"red\" d=\"M913.\n+00022d60: 3939 2c2d 3538 342e 3632 4338 3935 2e33  99,-584.62C895.3\n+00022d70: 372c 2d35 3735 2e31 3820 3836 362e 3636  7,-575.18 866.66\n+00022d80: 2c2d 3536 302e 3631 2038 3434 2e36 2c2d  ,-560.61 844.6,-\n+00022d90: 3534 392e 3433 222f 3e0a 3c70 6f6c 7967  549.43\"/>.<polyg\n+00022da0: 6f6e 2066 696c 6c3d 2272 6564 2220 7374  on fill=\"red\" st\n+00022db0: 726f 6b65 3d22 7265 6422 2070 6f69 6e74  roke=\"red\" point\n+00022dc0: 733d 2238 3436 2e31 312c 2d35 3436 2e32  s=\"846.11,-546.2\n+00022dd0: 3720 3833 352e 3631 2c2d 3534 342e 3836  7 835.61,-544.86\n+00022de0: 2038 3432 2e39 342c 2d35 3532 2e35 3120   842.94,-552.51 \n+00022df0: 3834 362e 3131 2c2d 3534 362e 3237 222f  846.11,-546.27\"/\n+00022e00: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00022e10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00022e20: 6472 756e 2623 3435 3b26 6774 3b6d 6f64  drun&#45;&gt;mod\n+00022e30: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00022e40: 6f70 7469 6f6e 7320 2d2d 3e0a 3c67 2069  options -->.<g i\n+00022e50: 643d 2265 6467 6532 3532 2220 636c 6173  d=\"edge252\" clas\n+00022e60: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+00022e70: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00022e80: 6163 735f 6d64 7275 6e26 2334 353b 2667  acs_mdrun&#45;&g\n+00022e90: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00022ea0: 6d61 6373 5f6f 7074 696f 6e73 3c2f 7469  macs_options</ti\n+00022eb0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+00022ec0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+00022ed0: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n+00022ee0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+00022ef0: 3d22 4d39 3031 2e39 312c 2d35 3934 2e30  =\"M901.91,-594.0\n+00022f00: 3243 3834 372e 3737 2c2d 3539 322e 3532  2C847.77,-592.52\n+00022f10: 2037 3333 2e36 362c 2d35 3834 2e35 3720   733.66,-584.57 \n+00022f20: 3634 372c 2d35 3435 2e38 3320 3534 302e  647,-545.83 540.\n+00022f30: 3633 2c2d 3439 382e 3239 2032 3337 2c2d  63,-498.29 237,-\n+00022f40: 3333 352e 3536 2032 3337 2c2d 3231 392e  335.56 237,-219.\n+00022f50: 3035 2032 3337 2c2d 3231 392e 3035 2032  05 237,-219.05 2\n+00022f60: 3337 2c2d 3231 392e 3035 2032 3337 2c2d  37,-219.05 237,-\n+00022f70: 3135 342e 3138 2032 3337 2c2d 3736 2e32  154.18 237,-76.2\n+00022f80: 2035 3036 2e37 372c 2d34 332e 3733 2036   506.77,-43.73 6\n+00022f90: 3133 2e39 2c2d 3333 2e39 3122 2f3e 0a3c  13.9,-33.91\"/>.<\n+00022fa0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n+00022fb0: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n+00022fc0: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n+00022fd0: 3631 342e 3339 2c2d 3337 2e33 3820 3632  614.39,-37.38 62\n+00022fe0: 342e 3034 2c2d 3333 2036 3133 2e37 372c  4.04,-33 613.77,\n+00022ff0: 2d33 302e 3431 2036 3134 2e33 392c 2d33  -30.41 614.39,-3\n+00023000: 372e 3338 222f 3e0a 3c2f 673e 0a3c 212d  7.38\"/>.</g>.<!-\n+00023010: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+00023020: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n+00023030: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00023040: 6f6d 6163 735f 6d69 6d69 6320 2d2d 3e0a  omacs_mimic -->.\n+00023050: 3c67 2069 643d 2265 6467 6532 3436 2220  <g id=\"edge246\" \n+00023060: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+00023070: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00023080: 6772 6f6d 6163 735f 6d64 7275 6e26 2334  gromacs_mdrun&#4\n+00023090: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+000230a0: 5f67 726f 6d61 6373 5f6d 696d 6963 3c2f  _gromacs_mimic</\n+000230b0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+000230c0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+000230d0: 2223 6266 6266 6266 2220 643d 224d 3934  \"#bfbfbf\" d=\"M94\n+000230e0: 322e 3435 2c2d 3538 322e 3331 4339 3535  2.45,-582.31C955\n+000230f0: 2e32 382c 2d35 3636 2e35 3720 3937 392e  .28,-566.57 979.\n+00023100: 3433 2c2d 3533 382e 3539 2031 3030 342c  43,-538.59 1004,\n+00023110: 2d35 3138 2e39 3620 3130 3230 2e35 322c  -518.96 1020.52,\n+00023120: 2d35 3035 2e37 3620 3130 3431 2c2d 3439  -505.76 1041,-49\n+00023130: 332e 3636 2031 3035 372e 3336 2c2d 3438  3.66 1057.36,-48\n+00023140: 342e 3836 222f 3e0a 3c70 6f6c 7967 6f6e  4.86\"/>.<polygon\n+00023150: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+00023160: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00023170: 2070 6f69 6e74 733d 2231 3035 392e 3234   points=\"1059.24\n+00023180: 2c2d 3438 372e 3832 2031 3036 362e 3436  ,-487.82 1066.46\n+00023190: 2c2d 3438 302e 3037 2031 3035 352e 3938  ,-480.07 1055.98\n+000231a0: 2c2d 3438 312e 3633 2031 3035 392e 3234  ,-481.63 1059.24\n+000231b0: 2c2d 3438 372e 3832 222f 3e0a 3c2f 673e  ,-487.82\"/>.</g>\n+000231c0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+000231d0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n+000231e0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+000231f0: 635f 6772 6f6d 6163 735f 7461 736b 6173  c_gromacs_taskas\n+00023200: 7369 676e 6d65 6e74 202d 2d3e 0a3c 6720  signment -->.<g \n+00023210: 6964 3d22 6564 6765 3233 3922 2063 6c61  id=\"edge239\" cla\n+00023220: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+00023230: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+00023240: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n+00023250: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00023260: 6f6d 6163 735f 7461 736b 6173 7369 676e  omacs_taskassign\n+00023270: 6d65 6e74 3c2f 7469 746c 653e 0a3c 7061  ment</title>.<pa\n+00023280: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+00023290: 7472 6f6b 653d 2272 6564 2220 643d 224d  troke=\"red\" d=\"M\n+000232a0: 3930 312e 3631 2c2d 3539 342e 3236 4338  901.61,-594.26C8\n+000232b0: 3335 2e31 352c 2d35 3932 2e33 3420 3638  35.15,-592.34 68\n+000232c0: 302e 3639 2c2d 3537 372e 3431 2036 3132  0.69,-577.41 612\n+000232d0: 2c2d 3438 322e 3936 2035 3836 2e37 2c2d  ,-482.96 586.7,-\n+000232e0: 3434 382e 3138 2035 3739 2e36 322c 2d33  448.18 579.62,-3\n+000232f0: 3936 2e39 3420 3537 372e 3638 2c2d 3336  96.94 577.68,-36\n+00023300: 372e 3632 222f 3e0a 3c70 6f6c 7967 6f6e  7.62\"/>.<polygon\n+00023310: 2066 696c 6c3d 2272 6564 2220 7374 726f   fill=\"red\" stro\n+00023320: 6b65 3d22 7265 6422 2070 6f69 6e74 733d  ke=\"red\" points=\n+00023330: 2235 3831 2e31 372c 2d33 3637 2e33 3420  \"581.17,-367.34 \n+00023340: 3537 372e 3137 2c2d 3335 372e 3533 2035  577.17,-357.53 5\n+00023350: 3734 2e31 382c 2d33 3637 2e37 2035 3831  74.18,-367.7 581\n+00023360: 2e31 372c 2d33 3637 2e33 3422 2f3e 0a3c  .17,-367.34\"/>.<\n+00023370: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00023380: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n+00023390: 6e26 2334 353b 2667 743b 6d6f 6475 6c65  n&#45;&gt;module\n+000233a0: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d  _src_gromacs_dom\n+000233b0: 6465 6320 2d2d 3e0a 3c67 2069 643d 2265  dec -->.<g id=\"e\n+000233c0: 6467 6532 3239 2220 636c 6173 733d 2265  dge229\" class=\"e\n+000233d0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+000233e0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000233f0: 6d64 7275 6e26 2334 353b 2667 743b 6d6f  mdrun&#45;&gt;mo\n+00023400: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00023410: 5f64 6f6d 6465 633c 2f74 6974 6c65 3e0a  _domdec</title>.\n+00023420: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00023430: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+00023440: 6322 2064 3d22 4d39 3033 2e32 342c 2d35  c\" d=\"M903.24,-5\n+00023450: 3939 2e38 3543 3834 332e 3532 2c2d 3630  99.85C843.52,-60\n+00023460: 362e 3631 2037 3035 2e37 372c 2d36 3232  6.61 705.77,-622\n+00023470: 2e35 3820 3539 312c 2d36 3434 2e37 2035  .58 591,-644.7 5\n+00023480: 3835 2e31 352c 2d36 3435 2e38 3320 3537  85.15,-645.83 57\n+00023490: 382e 3936 2c2d 3634 372e 3231 2035 3732  8.96,-647.21 572\n+000234a0: 2e38 342c 2d36 3438 2e36 3422 2f3e 0a3c  .84,-648.64\"/>.<\n+000234b0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n+000234c0: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n+000234d0: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n+000234e0: 3537 312e 3631 2c2d 3634 352e 3334 2035  571.61,-645.34 5\n+000234f0: 3632 2e36 382c 2d36 3531 2e30 3520 3537  62.68,-651.05 57\n+00023500: 332e 3232 2c2d 3635 322e 3135 2035 3731  3.22,-652.15 571\n+00023510: 2e36 312c 2d36 3435 2e33 3422 2f3e 0a3c  .61,-645.34\"/>.<\n+00023520: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00023530: 7372 635f 6772 6f6d 6163 735f 7377 6170  src_gromacs_swap\n+00023540: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465   -->.<g id=\"node\n+00023550: 3435 2220 636c 6173 733d 226e 6f64 6522  45\" class=\"node\"\n+00023560: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00023570: 7372 635f 6772 6f6d 6163 735f 7377 6170  src_gromacs_swap\n+00023580: 3c2f 7469 746c 653e 0a3c 6720 6964 3d22  </title>.<g id=\"\n+00023590: 615f 6e6f 6465 3435 223e 3c61 2078 6c69  a_node45\"><a xli\n+000235a0: 6e6b 3a68 7265 663d 2267 726f 7570 5f5f  nk:href=\"group__\n+000235b0: 6d6f 6475 6c65 5f5f 7377 6170 2e78 6874  module__swap.xht\n+000235c0: 6d6c 2220 7461 7267 6574 3d22 5f74 6f70  ml\" target=\"_top\n+000235d0: 2220 786c 696e 6b3a 7469 746c 653d 2273  \" xlink:title=\"s\n+000235e0: 7761 7022 3e0a 3c65 6c6c 6970 7365 2066  wap\">.<ellipse f\n+000235f0: 696c 6c3d 2223 6535 6363 6666 2220 7374  ill=\"#e5ccff\" st\n+00023600: 726f 6b65 3d22 626c 6163 6b22 2063 783d  roke=\"black\" cx=\n+00023610: 2231 3234 3822 2063 793d 222d 3533 322e  \"1248\" cy=\"-532.\n+00023620: 3422 2072 783d 2232 372e 3635 2220 7279  4\" rx=\"27.65\" ry\n+00023630: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874  =\"13.37\"/>.<text\n+00023640: 2074 6578 742d 616e 6368 6f72 3d22 6d69   text-anchor=\"mi\n+00023650: 6464 6c65 2220 783d 2231 3234 3822 2079  ddle\" x=\"1248\" y\n+00023660: 3d22 2d35 3239 2e39 2220 666f 6e74 2d66  =\"-529.9\" font-f\n+00023670: 616d 696c 793d 2246 7265 6553 616e 7322  amily=\"FreeSans\"\n+00023680: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30   font-size=\"10.0\n+00023690: 3022 3e73 7761 703c 2f74 6578 743e 0a3c  0\">swap</text>.<\n+000236a0: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21  /a>.</g>.</g>.<!\n+000236b0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+000236c0: 6f6d 6163 735f 6d64 7275 6e26 2334 353b  omacs_mdrun&#45;\n+000236d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+000236e0: 726f 6d61 6373 5f73 7761 7020 2d2d 3e0a  romacs_swap -->.\n+000236f0: 3c67 2069 643d 2265 6467 6532 3439 2220  <g id=\"edge249\" \n+00023700: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+00023710: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00023720: 6772 6f6d 6163 735f 6d64 7275 6e26 2334  gromacs_mdrun&#4\n+00023730: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00023740: 5f67 726f 6d61 6373 5f73 7761 703c 2f74  _gromacs_swap</t\n+00023750: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00023760: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00023770: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n+00023780: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+00023790: 643d 224d 3936 302e 3638 2c2d 3538 382e  d=\"M960.68,-588.\n+000237a0: 3932 4331 3031 372e 3939 2c2d 3537 372e  92C1017.99,-577.\n+000237b0: 3834 2031 3134 392e 3537 2c2d 3535 322e  84 1149.57,-552.\n+000237c0: 3432 2031 3231 322e 382c 2d35 3430 2e32  42 1212.8,-540.2\n+000237d0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+000237e0: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n+000237f0: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n+00023800: 6e74 733d 2231 3231 332e 3535 2c2d 3534  nts=\"1213.55,-54\n+00023810: 332e 3632 2031 3232 322e 372c 2d35 3338  3.62 1222.7,-538\n+00023820: 2e32 3820 3132 3132 2e32 322c 2d35 3336  .28 1212.22,-536\n+00023830: 2e37 3420 3132 3133 2e35 352c 2d35 3433  .74 1213.55,-543\n+00023840: 2e36 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .62\"/>.</g>.<!--\n+00023850: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00023860: 6163 735f 6d64 7275 6e26 2334 353b 2667  acs_mdrun&#45;&g\n+00023870: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00023880: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n+00023890: 6365 735f 6177 6820 2d2d 3e0a 3c67 2069  ces_awh -->.<g i\n+000238a0: 643d 2265 6467 6532 3433 2220 636c 6173  d=\"edge243\" clas\n+000238b0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+000238c0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+000238d0: 6163 735f 6d64 7275 6e26 2334 353b 2667  acs_mdrun&#45;&g\n+000238e0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+000238f0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n+00023900: 6365 735f 6177 683c 2f74 6974 6c65 3e0a  ces_awh</title>.\n+00023910: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00023920: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+00023930: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n+00023940: 7261 793d 2235 2c32 2220 643d 224d 3936  ray=\"5,2\" d=\"M96\n+00023950: 332e 3432 2c2d 3539 312e 3635 4331 3037  3.42,-591.65C107\n+00023960: 372e 3631 2c2d 3538 312e 3833 2031 3438  7.61,-581.83 148\n+00023970: 302e 3436 2c2d 3534 372e 3220 3136 3034  0.46,-547.2 1604\n+00023980: 2e34 322c 2d35 3336 2e35 3422 2f3e 0a3c  .42,-536.54\"/>.<\n+00023990: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n+000239a0: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n+000239b0: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n+000239c0: 3136 3034 2e38 372c 2d35 3430 2e30 3120  1604.87,-540.01 \n+000239d0: 3136 3134 2e35 342c 2d35 3335 2e36 3720  1614.54,-535.67 \n+000239e0: 3136 3034 2e32 372c 2d35 3333 2e30 3420  1604.27,-533.04 \n+000239f0: 3136 3034 2e38 372c 2d35 3430 2e30 3122  1604.87,-540.01\"\n+00023a00: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00023a10: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00023a20: 6666 7426 2334 353b 2667 743b 6d6f 6475  fft&#45;&gt;modu\n+00023a30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68  le_src_gromacs_h\n+00023a40: 6172 6477 6172 6520 2d2d 3e0a 3c67 2069  ardware -->.<g i\n+00023a50: 643d 2265 6467 6532 3534 2220 636c 6173  d=\"edge254\" clas\n+00023a60: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+00023a70: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00023a80: 6163 735f 6666 7426 2334 353b 2667 743b  acs_fft&#45;&gt;\n+00023a90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00023aa0: 6373 5f68 6172 6477 6172 653c 2f74 6974  cs_hardware</tit\n+00023ab0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00023ac0: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265  none\" stroke=\"re\n+00023ad0: 6422 2064 3d22 4d36 3135 2e31 382c 2d39  d\" d=\"M615.18,-9\n+00023ae0: 3031 2e35 3143 3538 332e 372c 2d38 3931  01.51C583.7,-891\n+00023af0: 2e32 3720 3532 352e 3131 2c2d 3837 322e  .27 525.11,-872.\n+00023b00: 3139 2034 3836 2e38 342c 2d38 3539 2e37  19 486.84,-859.7\n+00023b10: 3422 2f3e 0a3c 706f 6c79 676f 6e20 6669  4\"/>.<polygon fi\n+00023b20: 6c6c 3d22 7265 6422 2073 7472 6f6b 653d  ll=\"red\" stroke=\n+00023b30: 2272 6564 2220 706f 696e 7473 3d22 3438  \"red\" points=\"48\n+00023b40: 372e 372c 2d38 3536 2e33 3420 3437 372e  7.7,-856.34 477.\n+00023b50: 3131 2c2d 3835 362e 3537 2034 3835 2e35  11,-856.57 485.5\n+00023b60: 332c 2d38 3632 2e39 3920 3438 372e 372c  3,-862.99 487.7,\n+00023b70: 2d38 3536 2e33 3422 2f3e 0a3c 2f67 3e0a  -856.34\"/>.</g>.\n+00023b80: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00023b90: 6772 6f6d 6163 735f 6666 7426 2334 353b  gromacs_fft&#45;\n+00023ba0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00023bb0: 726f 6d61 6373 5f67 7075 5f75 7469 6c73  romacs_gpu_utils\n+00023bc0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+00023bd0: 3235 3322 2063 6c61 7373 3d22 6564 6765  253\" class=\"edge\n+00023be0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00023bf0: 5f73 7263 5f67 726f 6d61 6373 5f66 6674  _src_gromacs_fft\n+00023c00: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00023c10: 7372 635f 6772 6f6d 6163 735f 6770 755f  src_gromacs_gpu_\n+00023c20: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70  utils</title>.<p\n+00023c30: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00023c40: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00023c50: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n+00023c60: 793d 2235 2c32 2220 643d 224d 3634 372e  y=\"5,2\" d=\"M647.\n+00023c70: 3239 2c2d 3839 362e 3834 4336 3534 2e36  29,-896.84C654.6\n+00023c80: 362c 2d38 3837 2e35 3820 3636 332e 3936  6,-887.58 663.96\n+00023c90: 2c2d 3837 332e 3938 2036 3638 2c2d 3836  ,-873.98 668,-86\n+00023ca0: 302e 3138 2036 3733 2e33 2c2d 3834 322e  0.18 673.3,-842.\n+00023cb0: 3038 2036 3636 2e38 392c 2d38 3231 2e33  08 666.89,-821.3\n+00023cc0: 3520 3635 392e 3936 2c2d 3830 362e 3233  5 659.96,-806.23\n+00023cd0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+00023ce0: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n+00023cf0: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n+00023d00: 6e74 733d 2236 3633 2e30 342c 2d38 3034  nts=\"663.04,-804\n+00023d10: 2e35 3720 3635 352e 3434 2c2d 3739 372e  .57 655.44,-797.\n+00023d20: 3139 2036 3536 2e37 382c 2d38 3037 2e37  19 656.78,-807.7\n+00023d30: 2036 3633 2e30 342c 2d38 3034 2e35 3722   663.04,-804.57\"\n+00023d40: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00023d50: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00023d60: 7377 6170 2623 3435 3b26 6774 3b6d 6f64  swap&#45;&gt;mod\n+00023d70: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00023d80: 676d 786c 6962 202d 2d3e 0a3c 6720 6964  gmxlib -->.<g id\n+00023d90: 3d22 6564 6765 3235 3722 2063 6c61 7373  =\"edge257\" class\n+00023da0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00023db0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00023dc0: 6373 5f73 7761 7026 2334 353b 2667 743b  cs_swap&#45;&gt;\n+00023dd0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00023de0: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65  cs_gmxlib</title\n+00023df0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+00023e00: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n+00023e10: 6662 6622 2064 3d22 4d31 3233 392e 3031  fbf\" d=\"M1239.01\n+00023e20: 2c2d 3534 352e 3331 4331 3232 332e 3839  ,-545.31C1223.89\n+00023e30: 2c2d 3536 362e 3537 2031 3139 352c 2d36  ,-566.57 1195,-6\n+00023e40: 3132 2e39 3720 3131 3935 2c2d 3635 372e  12.97 1195,-657.\n+00023e50: 3134 2031 3139 352c 2d37 3232 2e30 3120  14 1195,-722.01 \n+00023e60: 3131 3935 2c2d 3732 322e 3031 2031 3139  1195,-722.01 119\n+00023e70: 352c 2d37 3232 2e30 3120 3131 3935 2c2d  5,-722.01 1195,-\n+00023e80: 3836 392e 3939 2031 3038 332e 3038 2c2d  869.99 1083.08,-\n+00023e90: 3130 3233 2e33 3820 3130 3339 2e38 2c2d  1023.38 1039.8,-\n+00023ea0: 3130 3737 2e31 3722 2f3e 0a3c 706f 6c79  1077.17\"/>.<poly\n+00023eb0: 676f 6e20 6669 6c6c 3d22 2362 6662 6662  gon fill=\"#bfbfb\n+00023ec0: 6622 2073 7472 6f6b 653d 2223 6266 6266  f\" stroke=\"#bfbf\n+00023ed0: 6266 2220 706f 696e 7473 3d22 3130 3336  bf\" points=\"1036\n+00023ee0: 2e38 352c 2d31 3037 352e 3234 2031 3033  .85,-1075.24 103\n+00023ef0: 332e 3234 2c2d 3130 3835 2e32 2031 3034  3.24,-1085.2 104\n+00023f00: 322e 3238 2c2d 3130 3739 2e36 3720 3130  2.28,-1079.67 10\n+00023f10: 3336 2e38 352c 2d31 3037 352e 3234 222f  36.85,-1075.24\"/\n+00023f20: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00023f30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73  le_src_gromacs_s\n+00023f40: 7761 7026 2334 353b 2667 743b 6d6f 6475  wap&#45;&gt;modu\n+00023f50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00023f60: 6474 7970 6573 202d 2d3e 0a3c 6720 6964  dtypes -->.<g id\n+00023f70: 3d22 6564 6765 3236 3022 2063 6c61 7373  =\"edge260\" class\n+00023f80: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00023f90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00023fa0: 6373 5f73 7761 7026 2334 353b 2667 743b  cs_swap&#45;&gt;\n+00023fb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00023fc0: 6373 5f6d 6474 7970 6573 3c2f 7469 746c  cs_mdtypes</titl\n+00023fd0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+00023fe0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n+00023ff0: 6266 6266 2220 643d 224d 3132 3634 2e37  bfbf\" d=\"M1264.7\n+00024000: 332c 2d35 3433 2e32 3143 3132 3739 2e38  3,-543.21C1279.8\n+00024010: 312c 2d35 3532 2e33 3920 3133 3032 2e32  1,-552.39 1302.2\n+00024020: 362c 2d35 3636 2e38 3820 3133 3230 2c2d  6,-566.88 1320,-\n+00024030: 3538 312e 3833 2031 3437 352e 3638 2c2d  581.83 1475.68,-\n+00024040: 3731 332e 3038 2031 3533 392e 3433 2c2d  713.08 1539.43,-\n+00024050: 3735 392e 3531 2031 3538 302c 2d39 3539  759.51 1580,-959\n+00024060: 2e30 3520 3135 3832 2e33 382c 2d39 3730  .05 1582.38,-970\n+00024070: 2e37 3520 3135 3836 2e39 382c 2d39 3736  .75 1586.98,-976\n+00024080: 2e32 3320 3135 3830 2c2d 3938 352e 3932  .23 1580,-985.92\n+00024090: 2031 3535 382e 3037 2c2d 3130 3136 2e33   1558.07,-1016.3\n+000240a0: 3720 3135 3136 2e31 342c 2d31 3032 372e  7 1516.14,-1027.\n+000240b0: 3936 2031 3438 322e 3939 2c2d 3130 3332  96 1482.99,-1032\n+000240c0: 2e32 3322 2f3e 0a3c 706f 6c79 676f 6e20  .23\"/>.<polygon \n+000240d0: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n+000240e0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+000240f0: 706f 696e 7473 3d22 3134 3832 2e35 372c  points=\"1482.57,\n+00024100: 2d31 3032 382e 3736 2031 3437 332e 3031  -1028.76 1473.01\n+00024110: 2c2d 3130 3333 2e33 3420 3134 3833 2e33  ,-1033.34 1483.3\n+00024120: 342c 2d31 3033 352e 3732 2031 3438 322e  4,-1035.72 1482.\n+00024130: 3537 2c2d 3130 3238 2e37 3622 2f3e 0a3c  57,-1028.76\"/>.<\n+00024140: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00024150: 7372 635f 6772 6f6d 6163 735f 7377 6170  src_gromacs_swap\n+00024160: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00024170: 7372 635f 6772 6f6d 6163 735f 6669 6c65  src_gromacs_file\n+00024180: 696f 202d 2d3e 0a3c 6720 6964 3d22 6564  io -->.<g id=\"ed\n+00024190: 6765 3235 3622 2063 6c61 7373 3d22 6564  ge256\" class=\"ed\n+000241a0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+000241b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73  le_src_gromacs_s\n+000241c0: 7761 7026 2334 353b 2667 743b 6d6f 6475  wap&#45;&gt;modu\n+000241d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66  le_src_gromacs_f\n+000241e0: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70  ileio</title>.<p\n+000241f0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00024200: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00024210: 2064 3d22 4d31 3237 332e 3532 2c2d 3532   d=\"M1273.52,-52\n+00024220: 372e 3136 4331 3333 372e 3636 2c2d 3531  7.16C1337.66,-51\n+00024230: 362e 3532 2031 3530 352e 3736 2c2d 3438  6.52 1505.76,-48\n+00024240: 382e 3634 2031 3537 392e 3438 2c2d 3437  8.64 1579.48,-47\n+00024250: 362e 3432 222f 3e0a 3c70 6f6c 7967 6f6e  6.42\"/>.<polygon\n+00024260: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+00024270: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00024280: 2070 6f69 6e74 733d 2231 3538 302e 3336   points=\"1580.36\n+00024290: 2c2d 3437 392e 3832 2031 3538 392e 3635  ,-479.82 1589.65\n+000242a0: 2c2d 3437 342e 3733 2031 3537 392e 3232  ,-474.73 1579.22\n+000242b0: 2c2d 3437 322e 3931 2031 3538 302e 3336  ,-472.91 1580.36\n+000242c0: 2c2d 3437 392e 3832 222f 3e0a 3c2f 673e  ,-479.82\"/>.</g>\n+000242d0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+000242e0: 5f67 726f 6d61 6373 5f73 7761 7026 2334  _gromacs_swap&#4\n+000242f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00024300: 5f67 726f 6d61 6373 5f6d 646c 6962 202d  _gromacs_mdlib -\n+00024310: 2d3e 0a3c 6720 6964 3d22 6564 6765 3235  ->.<g id=\"edge25\n+00024320: 3822 2063 6c61 7373 3d22 6564 6765 223e  8\" class=\"edge\">\n+00024330: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00024340: 7263 5f67 726f 6d61 6373 5f73 7761 7026  rc_gromacs_swap&\n+00024350: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00024360: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n+00024370: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00024380: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00024390: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n+000243a0: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+000243b0: 3222 2064 3d22 4d31 3234 392e 3132 2c2d  2\" d=\"M1249.12,-\n+000243c0: 3531 382e 3635 4331 3235 312e 3432 2c2d  518.65C1251.42,-\n+000243d0: 3438 342e 3535 2031 3235 332e 332c 2d33  484.55 1253.3,-3\n+000243e0: 3839 2e37 3820 3132 3130 2c2d 3333 302e  89.78 1210,-330.\n+000243f0: 3335 2031 3139 362e 3432 2c2d 3331 312e  35 1196.42,-311.\n+00024400: 3720 3131 3733 2e33 392c 2d32 3939 2e34  7 1173.39,-299.4\n+00024410: 3520 3131 3534 2e31 372c 2d32 3931 2e39  5 1154.17,-291.9\n+00024420: 3322 2f3e 0a3c 706f 6c79 676f 6e20 6669  3\"/>.<polygon fi\n+00024430: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n+00024440: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n+00024450: 696e 7473 3d22 3131 3535 2e31 322c 2d32  ints=\"1155.12,-2\n+00024460: 3838 2e35 3620 3131 3434 2e35 332c 2d32  88.56 1144.53,-2\n+00024470: 3838 2e34 3320 3131 3532 2e37 332c 2d32  88.43 1152.73,-2\n+00024480: 3935 2e31 3420 3131 3535 2e31 322c 2d32  95.14 1155.12,-2\n+00024490: 3838 2e35 3622 2f3e 0a3c 2f67 3e0a 3c21  88.56\"/>.</g>.<!\n+000244a0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+000244b0: 6f6d 6163 735f 7377 6170 2623 3435 3b26  omacs_swap&#45;&\n+000244c0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+000244d0: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69  omacs_mdrunutili\n+000244e0: 7479 202d 2d3e 0a3c 6720 6964 3d22 6564  ty -->.<g id=\"ed\n+000244f0: 6765 3235 3922 2063 6c61 7373 3d22 6564  ge259\" class=\"ed\n+00024500: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+00024510: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73  le_src_gromacs_s\n+00024520: 7761 7026 2334 353b 2667 743b 6d6f 6475  wap&#45;&gt;modu\n+00024530: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00024540: 6472 756e 7574 696c 6974 793c 2f74 6974  drunutility</tit\n+00024550: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00024560: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n+00024570: 3832 6663 6322 2073 7472 6f6b 652d 6461  82fcc\" stroke-da\n+00024580: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n+00024590: 224d 3132 3530 2e33 342c 2d35 3138 2e37  \"M1250.34,-518.7\n+000245a0: 4331 3235 322e 3032 2c2d 3530 382e 3936  C1252.02,-508.96\n+000245b0: 2031 3235 342e 3132 2c2d 3439 352e 3136   1254.12,-495.16\n+000245c0: 2031 3235 352c 2d34 3832 2e39 3620 3132   1255,-482.96 12\n+000245d0: 3537 2e38 372c 2d34 3433 2e30 3220 3132  57.87,-443.02 12\n+000245e0: 3536 2e37 342c 2d34 3332 2e30 3620 3132  56.74,-432.06 12\n+000245f0: 3437 2c2d 3339 332e 3232 2031 3233 392e  47,-393.22 1239.\n+00024600: 3733 2c2d 3336 342e 3231 2031 3233 372e  73,-364.21 1237.\n+00024610: 3937 2c2d 3335 362e 3234 2031 3232 332c  97,-356.24 1223,\n+00024620: 2d33 3330 2e33 3520 3131 3837 2e33 322c  -330.35 1187.32,\n+00024630: 2d32 3638 2e36 3520 3131 3330 2e32 362c  -268.65 1130.26,\n+00024640: 2d32 3036 2e33 3220 3131 3030 2e34 392c  -206.32 1100.49,\n+00024650: 2d31 3735 2e36 3722 2f3e 0a3c 706f 6c79  -175.67\"/>.<poly\n+00024660: 676f 6e20 6669 6c6c 3d22 2332 3832 6663  gon fill=\"#282fc\n+00024670: 6322 2073 7472 6f6b 653d 2223 3238 3266  c\" stroke=\"#282f\n+00024680: 6363 2220 706f 696e 7473 3d22 3131 3032  cc\" points=\"1102\n+00024690: 2e37 2c2d 3137 322e 3933 2031 3039 332e  .7,-172.93 1093.\n+000246a0: 322c 2d31 3638 2e32 3420 3130 3937 2e37  2,-168.24 1097.7\n+000246b0: 312c 2d31 3737 2e38 3320 3131 3032 2e37  1,-177.83 1102.7\n+000246c0: 2c2d 3137 322e 3933 222f 3e0a 3c2f 673e  ,-172.93\"/>.</g>\n+000246d0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+000246e0: 5f67 726f 6d61 6373 5f73 7761 7026 2334  _gromacs_swap&#4\n+000246f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00024700: 5f67 726f 6d61 6373 5f64 6f6d 6465 6320  _gromacs_domdec \n+00024710: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n+00024720: 3535 2220 636c 6173 733d 2265 6467 6522  55\" class=\"edge\"\n+00024730: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00024740: 7372 635f 6772 6f6d 6163 735f 7377 6170  src_gromacs_swap\n+00024750: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00024760: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n+00024770: 6563 3c2f 7469 746c 653e 0a3c 7061 7468  ec</title>.<path\n+00024780: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00024790: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n+000247a0: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+000247b0: 352c 3222 2064 3d22 4d31 3232 372e 3436  5,2\" d=\"M1227.46\n+000247c0: 2c2d 3534 312e 3532 4331 3138 362e 3833  ,-541.52C1186.83\n+000247d0: 2c2d 3535 372e 3233 2031 3039 332e 3032  ,-557.23 1093.02\n+000247e0: 2c2d 3539 312e 3732 2031 3031 312c 2d36  ,-591.72 1011,-6\n+000247f0: 3038 2e37 2038 3534 2e32 352c 2d36 3431  08.7 854.25,-641\n+00024800: 2e31 3620 3636 332e 3936 2c2d 3635 322e  .16 663.96,-652.\n+00024810: 3136 2035 3738 2e30 332c 2d36 3535 2e36  16 578.03,-655.6\n+00024820: 3422 2f3e 0a3c 706f 6c79 676f 6e20 6669  4\"/>.<polygon fi\n+00024830: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n+00024840: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n+00024850: 696e 7473 3d22 3537 372e 3639 2c2d 3635  ints=\"577.69,-65\n+00024860: 322e 3135 2035 3637 2e38 342c 2d36 3536  2.15 567.84,-656\n+00024870: 2e30 3420 3537 372e 3937 2c2d 3635 392e  .04 577.97,-659.\n+00024880: 3135 2035 3737 2e36 392c 2d36 3532 2e31  15 577.69,-652.1\n+00024890: 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  5\"/>.</g>.<!-- m\n+000248a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000248b0: 735f 746f 706f 6c6f 6779 202d 2d3e 0a3c  s_topology -->.<\n+000248c0: 6720 6964 3d22 6e6f 6465 3436 2220 636c  g id=\"node46\" cl\n+000248d0: 6173 733d 226e 6f64 6522 3e0a 3c74 6974  ass=\"node\">.<tit\n+000248e0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+000248f0: 6f6d 6163 735f 746f 706f 6c6f 6779 3c2f  omacs_topology</\n+00024900: 7469 746c 653e 0a3c 656c 6c69 7073 6520  title>.<ellipse \n+00024910: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n+00024920: 7472 6f6b 653d 2262 6c61 636b 2220 6378  troke=\"black\" cx\n+00024930: 3d22 3232 3233 2220 6379 3d22 2d31 3039  =\"2223\" cy=\"-109\n+00024940: 382e 3233 2220 7278 3d22 3337 2e34 3522  8.23\" rx=\"37.45\"\n+00024950: 2072 793d 2231 332e 3337 222f 3e0a 3c74   ry=\"13.37\"/>.<t\n+00024960: 6578 7420 7465 7874 2d61 6e63 686f 723d  ext text-anchor=\n+00024970: 226d 6964 646c 6522 2078 3d22 3232 3233  \"middle\" x=\"2223\n+00024980: 2220 793d 222d 3130 3935 2e37 3322 2066  \" y=\"-1095.73\" f\n+00024990: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565  ont-family=\"Free\n+000249a0: 5361 6e73 2220 666f 6e74 2d73 697a 653d  Sans\" font-size=\n+000249b0: 2231 302e 3030 223e 746f 706f 6c6f 6779  \"10.00\">topology\n+000249c0: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d  </text>.</g>.<!-\n+000249d0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+000249e0: 6d61 6373 5f74 6f70 6f6c 6f67 7926 2334  macs_topology&#4\n+000249f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00024a00: 5f67 726f 6d61 6373 5f6d 6474 7970 6573  _gromacs_mdtypes\n+00024a10: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+00024a20: 3236 3122 2063 6c61 7373 3d22 6564 6765  261\" class=\"edge\n+00024a30: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00024a40: 5f73 7263 5f67 726f 6d61 6373 5f74 6f70  _src_gromacs_top\n+00024a50: 6f6c 6f67 7926 2334 353b 2667 743b 6d6f  ology&#45;&gt;mo\n+00024a60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00024a70: 5f6d 6474 7970 6573 3c2f 7469 746c 653e  _mdtypes</title>\n+00024a80: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+00024a90: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n+00024aa0: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n+00024ab0: 7272 6179 3d22 352c 3222 2064 3d22 4d32  rray=\"5,2\" d=\"M2\n+00024ac0: 3138 362e 3833 2c2d 3130 3934 2e34 3343  186.83,-1094.43C\n+00024ad0: 3230 3538 2e37 322c 2d31 3038 342e 3534  2058.72,-1084.54\n+00024ae0: 2031 3632 362e 3436 2c2d 3130 3531 2e31   1626.46,-1051.1\n+00024af0: 3520 3134 3832 2e32 362c 2d31 3034 302e  5 1482.26,-1040.\n+00024b00: 3031 222f 3e0a 3c70 6f6c 7967 6f6e 2066  01\"/>.<polygon f\n+00024b10: 696c 6c3d 2223 3238 3266 6363 2220 7374  ill=\"#282fcc\" st\n+00024b20: 726f 6b65 3d22 2332 3832 6663 6322 2070  roke=\"#282fcc\" p\n+00024b30: 6f69 6e74 733d 2231 3438 322e 3233 2c2d  oints=\"1482.23,-\n+00024b40: 3130 3336 2e34 3920 3134 3731 2e39 392c  1036.49 1471.99,\n+00024b50: 2d31 3033 392e 3231 2031 3438 312e 3639  -1039.21 1481.69\n+00024b60: 2c2d 3130 3433 2e34 3720 3134 3832 2e32  ,-1043.47 1482.2\n+00024b70: 332c 2d31 3033 362e 3439 222f 3e0a 3c2f  3,-1036.49\"/>.</\n+00024b80: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00024b90: 7263 5f67 726f 6d61 6373 5f74 6f70 6f6c  rc_gromacs_topol\n+00024ba0: 6f67 7926 2334 353b 2667 743b 6d6f 6475  ogy&#45;&gt;modu\n+00024bb0: 6c65 5f73 7263 5f74 6573 7475 7469 6c73  le_src_testutils\n+00024bc0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+00024bd0: 3236 3222 2063 6c61 7373 3d22 6564 6765  262\" class=\"edge\n+00024be0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00024bf0: 5f73 7263 5f67 726f 6d61 6373 5f74 6f70  _src_gromacs_top\n+00024c00: 6f6c 6f67 7926 2334 353b 2667 743b 6d6f  ology&#45;&gt;mo\n+00024c10: 6475 6c65 5f73 7263 5f74 6573 7475 7469  dule_src_testuti\n+00024c20: 6c73 3c2f 7469 746c 653e 0a3c 7061 7468  ls</title>.<path\n+00024c30: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00024c40: 6f6b 653d 2272 6564 2220 643d 224d 3232  oke=\"red\" d=\"M22\n+00024c50: 3433 2e31 332c 2d31 3038 362e 3739 4332  43.13,-1086.79C2\n+00024c60: 3330 332e 3531 2c2d 3130 3535 2e34 3920  303.51,-1055.49 \n+00024c70: 3234 3833 2e33 332c 2d39 3632 2e32 3820  2483.33,-962.28 \n+00024c80: 3235 3534 2e30 312c 2d39 3235 2e36 3422  2554.01,-925.64\"\n+00024c90: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00024ca0: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n+00024cb0: 6564 2220 706f 696e 7473 3d22 3235 3535  ed\" points=\"2555\n+00024cc0: 2e39 372c 2d39 3238 2e35 3720 3235 3633  .97,-928.57 2563\n+00024cd0: 2e32 342c 2d39 3230 2e38 3620 3235 3532  .24,-920.86 2552\n+00024ce0: 2e37 352c 2d39 3232 2e33 3620 3235 3535  .75,-922.36 2555\n+00024cf0: 2e39 372c 2d39 3238 2e35 3722 2f3e 0a3c  .97,-928.57\"/>.<\n+00024d00: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00024d10: 7372 635f 6772 6f6d 6163 735f 6170 706c  src_gromacs_appl\n+00024d20: 6965 645f 666f 7263 6573 5f61 7768 2623  ied_forces_awh&#\n+00024d30: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00024d40: 635f 6772 6f6d 6163 735f 676d 786c 6962  c_gromacs_gmxlib\n+00024d50: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+00024d60: 3237 3122 2063 6c61 7373 3d22 6564 6765  271\" class=\"edge\n+00024d70: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00024d80: 5f73 7263 5f67 726f 6d61 6373 5f61 7070  _src_gromacs_app\n+00024d90: 6c69 6564 5f66 6f72 6365 735f 6177 6826  lied_forces_awh&\n+00024da0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00024db0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69  rc_gromacs_gmxli\n+00024dc0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n+00024dd0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00024de0: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n+00024df0: 4d31 3635 342e 3737 2c2d 3534 342e 3034  M1654.77,-544.04\n+00024e00: 4331 3636 352c 2d35 3532 2e38 3920 3136  C1665,-552.89 16\n+00024e10: 3738 2e31 372c 2d35 3636 2e34 3820 3136  78.17,-566.48 16\n+00024e20: 3834 2c2d 3538 312e 3833 2031 3638 382e  84,-581.83 1688.\n+00024e30: 3234 2c2d 3539 322e 3939 2031 3638 352e  24,-592.99 1685.\n+00024e40: 3839 2c2d 3539 362e 3931 2031 3638 342c  89,-596.91 1684,\n+00024e50: 2d36 3038 2e37 2031 3636 372e 3335 2c2d  -608.7 1667.35,-\n+00024e60: 3731 322e 3438 2031 3633 362e 3736 2c2d  712.48 1636.76,-\n+00024e70: 3733 312e 3637 2031 3631 302c 2d38 3333  731.67 1610,-833\n+00024e80: 2e33 3120 3136 3031 2e33 312c 2d38 3636  .31 1601.31,-866\n+00024e90: 2e33 3120 3135 3935 2c2d 3837 342e 3439  .31 1595,-874.49\n+00024ea0: 2031 3539 352c 2d39 3038 2e36 3220 3135   1595,-908.62 15\n+00024eb0: 3935 2c2d 3937 332e 3439 2031 3539 352c  95,-973.49 1595,\n+00024ec0: 2d39 3733 2e34 3920 3135 3935 2c2d 3937  -973.49 1595,-97\n+00024ed0: 332e 3439 2031 3539 352c 2d31 3038 312e  3.49 1595,-1081.\n+00024ee0: 3933 2031 3139 372e 3237 2c2d 3130 3935  93 1197.27,-1095\n+00024ef0: 2e35 3620 3130 3635 2e31 322c 2d31 3039  .56 1065.12,-109\n+00024f00: 372e 3039 222f 3e0a 3c70 6f6c 7967 6f6e  7.09\"/>.<polygon\n+00024f10: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+00024f20: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00024f30: 2070 6f69 6e74 733d 2231 3036 342e 3934   points=\"1064.94\n+00024f40: 2c2d 3130 3933 2e36 2031 3035 342e 3938  ,-1093.6 1054.98\n+00024f50: 2c2d 3130 3937 2e31 3920 3130 3635 2e30  ,-1097.19 1065.0\n+00024f60: 312c 2d31 3130 302e 3620 3130 3634 2e39  1,-1100.6 1064.9\n+00024f70: 342c 2d31 3039 332e 3622 2f3e 0a3c 2f67  4,-1093.6\"/>.</g\n+00024f80: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00024f90: 635f 6772 6f6d 6163 735f 6170 706c 6965  c_gromacs_applie\n+00024fa0: 645f 666f 7263 6573 5f61 7768 2623 3435  d_forces_awh&#45\n+00024fb0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00024fc0: 6772 6f6d 6163 735f 7261 6e64 6f6d 202d  gromacs_random -\n+00024fd0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3237  ->.<g id=\"edge27\n+00024fe0: 3022 2063 6c61 7373 3d22 6564 6765 223e  0\" class=\"edge\">\n+00024ff0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00025000: 7263 5f67 726f 6d61 6373 5f61 7070 6c69  rc_gromacs_appli\n+00025010: 6564 5f66 6f72 6365 735f 6177 6826 2334  ed_forces_awh&#4\n+00025020: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00025030: 5f67 726f 6d61 6373 5f72 616e 646f 6d3c  _gromacs_random<\n+00025040: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00025050: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00025060: 3d22 626c 6163 6b22 2073 7472 6f6b 652d  =\"black\" stroke-\n+00025070: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+00025080: 643d 224d 3136 3632 2e39 352c 2d35 3234  d=\"M1662.95,-524\n+00025090: 2e33 3343 3136 3931 2e33 372c 2d35 3134  .33C1691.37,-514\n+000250a0: 2e37 3520 3137 3338 2e36 322c 2d34 3937  .75 1738.62,-497\n+000250b0: 2e31 3920 3137 3530 2c2d 3438 322e 3936  .19 1750,-482.96\n+000250c0: 2031 3737 312e 3332 2c2d 3435 362e 3331   1771.32,-456.31\n+000250d0: 2031 3736 352c 2d34 3431 2e37 3820 3137   1765,-441.78 17\n+000250e0: 3635 2c2d 3430 372e 3636 2031 3736 352c  65,-407.66 1765,\n+000250f0: 2d34 3037 2e36 3620 3137 3635 2c2d 3430  -407.66 1765,-40\n+00025100: 372e 3636 2031 3736 352c 2d33 3432 2e37  7.66 1765,-342.7\n+00025110: 3920 3137 3635 2c2d 3330 352e 3934 2031  9 1765,-305.94 1\n+00025120: 3737 392e 3139 2c2d 3236 352e 3036 2031  779.19,-265.06 1\n+00025130: 3738 392e 3233 2c2d 3234 302e 3734 222f  789.23,-240.74\"/\n+00025140: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00025150: 2262 6c61 636b 2220 7374 726f 6b65 3d22  \"black\" stroke=\"\n+00025160: 626c 6163 6b22 2070 6f69 6e74 733d 2231  black\" points=\"1\n+00025170: 3739 322e 3532 2c2d 3234 312e 3935 2031  792.52,-241.95 1\n+00025180: 3739 332e 3233 2c2d 3233 312e 3338 2031  793.23,-231.38 1\n+00025190: 3738 362e 3038 2c2d 3233 392e 3220 3137  786.08,-239.2 17\n+000251a0: 3932 2e35 322c 2d32 3431 2e39 3522 2f3e  92.52,-241.95\"/>\n+000251b0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+000251c0: 655f 7372 635f 6772 6f6d 6163 735f 6170  e_src_gromacs_ap\n+000251d0: 706c 6965 645f 666f 7263 6573 5f61 7768  plied_forces_awh\n+000251e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+000251f0: 7372 635f 6772 6f6d 6163 735f 6d64 7479  src_gromacs_mdty\n+00025200: 7065 7320 2d2d 3e0a 3c67 2069 643d 2265  pes -->.<g id=\"e\n+00025210: 6467 6532 3638 2220 636c 6173 733d 2265  dge268\" class=\"e\n+00025220: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00025230: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00025240: 6170 706c 6965 645f 666f 7263 6573 5f61  applied_forces_a\n+00025250: 7768 2623 3435 3b26 6774 3b6d 6f64 756c  wh&#45;&gt;modul\n+00025260: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+00025270: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70  types</title>.<p\n+00025280: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00025290: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+000252a0: 2064 3d22 4d31 3636 342e 3438 2c2d 3533   d=\"M1664.48,-53\n+000252b0: 392e 3431 4331 3638 332e 3936 2c2d 3534  9.41C1683.96,-54\n+000252c0: 362e 3537 2031 3730 392e 3634 2c2d 3536  6.57 1709.64,-56\n+000252d0: 302e 3333 2031 3732 312c 2d35 3831 2e38  0.33 1721,-581.8\n+000252e0: 3320 3137 3633 2e30 362c 2d36 3631 2e34  3 1763.06,-661.4\n+000252f0: 3420 3136 3936 2c2d 3639 322e 3833 2031  4 1696,-692.83 1\n+00025300: 3639 362c 2d37 3832 2e38 3820 3136 3936  696,-782.88 1696\n+00025310: 2c2d 3931 302e 3632 2031 3639 362c 2d39  ,-910.62 1696,-9\n+00025320: 3130 2e36 3220 3136 3936 2c2d 3931 302e  10.62 1696,-910.\n+00025330: 3632 2031 3639 362c 2d31 3030 322e 3739  62 1696,-1002.79\n+00025340: 2031 3535 382e 3439 2c2d 3130 3236 2e33   1558.49,-1026.3\n+00025350: 3120 3134 3833 2c2d 3130 3332 2e33 222f  1 1483,-1032.3\"/\n+00025360: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00025370: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" stroke\n+00025380: 3d22 2362 6662 6662 6622 2070 6f69 6e74  =\"#bfbfbf\" point\n+00025390: 733d 2231 3438 322e 352c 2d31 3032 382e  s=\"1482.5,-1028.\n+000253a0: 3833 2031 3437 322e 3738 2c2d 3130 3333  83 1472.78,-1033\n+000253b0: 2e30 3420 3134 3833 2e30 312c 2d31 3033  .04 1483.01,-103\n+000253c0: 352e 3831 2031 3438 322e 352c 2d31 3032  5.81 1482.5,-102\n+000253d0: 382e 3833 222f 3e0a 3c2f 673e 0a3c 212d  8.83\"/>.</g>.<!-\n+000253e0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+000253f0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n+00025400: 6365 735f 6177 6826 2334 353b 2667 743b  ces_awh&#45;&gt;\n+00025410: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00025420: 6373 5f66 696c 6569 6f20 2d2d 3e0a 3c67  cs_fileio -->.<g\n+00025430: 2069 643d 2265 6467 6532 3639 2220 636c   id=\"edge269\" cl\n+00025440: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00025450: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00025460: 6f6d 6163 735f 6170 706c 6965 645f 666f  omacs_applied_fo\n+00025470: 7263 6573 5f61 7768 2623 3435 3b26 6774  rces_awh&#45;&gt\n+00025480: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00025490: 6163 735f 6669 6c65 696f 3c2f 7469 746c  acs_fileio</titl\n+000254a0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+000254b0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n+000254c0: 6266 6266 2220 643d 224d 3136 3330 2e37  bfbf\" d=\"M1630.7\n+000254d0: 2c2d 3531 392e 3935 4331 3632 362e 322c  ,-519.95C1626.2,\n+000254e0: 2d35 3132 2e33 3420 3136 3231 2e34 352c  -512.34 1621.45,\n+000254f0: 2d35 3032 2e31 2031 3631 382e 3033 2c2d  -502.1 1618.03,-\n+00025500: 3439 322e 3931 222f 3e0a 3c70 6f6c 7967  492.91\"/>.<polyg\n+00025510: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n+00025520: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+00025530: 6622 2070 6f69 6e74 733d 2231 3632 312e  f\" points=\"1621.\n+00025540: 3237 2c2d 3439 312e 3538 2031 3631 342e  27,-491.58 1614.\n+00025550: 3831 2c2d 3438 332e 3138 2031 3631 342e  81,-483.18 1614.\n+00025560: 3633 2c2d 3439 332e 3738 2031 3632 312e  63,-493.78 1621.\n+00025570: 3237 2c2d 3439 312e 3538 222f 3e0a 3c2f  27,-491.58\"/>.</\n+00025580: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00025590: 7263 5f67 726f 6d61 6373 5f61 7070 6c69  rc_gromacs_appli\n+000255a0: 6564 5f66 6f72 6365 735f 6177 6826 2334  ed_forces_awh&#4\n+000255b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+000255c0: 5f67 726f 6d61 6373 5f6d 6472 756e 7574  _gromacs_mdrunut\n+000255d0: 696c 6974 7920 2d2d 3e0a 3c67 2069 643d  ility -->.<g id=\n+000255e0: 2265 6467 6532 3732 2220 636c 6173 733d  \"edge272\" class=\n+000255f0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+00025600: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00025610: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n+00025620: 5f61 7768 2623 3435 3b26 6774 3b6d 6f64  _awh&#45;&gt;mod\n+00025630: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00025640: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469  mdrunutility</ti\n+00025650: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+00025660: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+00025670: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n+00025680: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+00025690: 3d22 4d31 3636 332e 3231 2c2d 3532 342e  =\"M1663.21,-524.\n+000256a0: 3535 4331 3730 352e 3134 2c2d 3531 312e  55C1705.14,-511.\n+000256b0: 3631 2031 3739 322e 3037 2c2d 3438 342e  61 1792.07,-484.\n+000256c0: 3638 2031 3739 352c 2d34 3832 2e39 3620  68 1795,-482.96 \n+000256d0: 3139 3139 2e37 332c 2d34 3130 2e30 3220  1919.73,-410.02 \n+000256e0: 3230 3632 2e33 332c 2d33 3039 2e35 3520  2062.33,-309.55 \n+000256f0: 3139 3633 2c2d 3230 342e 3631 2031 3935  1963,-204.61 195\n+00025700: 352e 3837 2c2d 3139 372e 3038 2031 3333  5.87,-197.08 133\n+00025710: 312e 332c 2d31 3637 2e37 3120 3131 3337  1.3,-167.71 1137\n+00025720: 2e36 322c 2d31 3538 2e37 3722 2f3e 0a3c  .62,-158.77\"/>.<\n+00025730: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n+00025740: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n+00025750: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n+00025760: 3131 3337 2e35 322c 2d31 3535 2e32 3620  1137.52,-155.26 \n+00025770: 3131 3237 2e33 372c 2d31 3538 2e33 2031  1127.37,-158.3 1\n+00025780: 3133 372e 322c 2d31 3632 2e32 3520 3131  137.2,-162.25 11\n+00025790: 3337 2e35 322c 2d31 3535 2e32 3622 2f3e  37.52,-155.26\"/>\n+000257a0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+000257b0: 655f 7372 635f 6772 6f6d 6163 735f 6170  e_src_gromacs_ap\n+000257c0: 706c 6965 645f 666f 7263 6573 5f61 7768  plied_forces_awh\n+000257d0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+000257e0: 7372 635f 6772 6f6d 6163 735f 6d64 7370  src_gromacs_mdsp\n+000257f0: 616e 202d 2d3e 0a3c 6720 6964 3d22 6564  an -->.<g id=\"ed\n+00025800: 6765 3237 3422 2063 6c61 7373 3d22 6564  ge274\" class=\"ed\n+00025810: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+00025820: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61  le_src_gromacs_a\n+00025830: 7070 6c69 6564 5f66 6f72 6365 735f 6177  pplied_forces_aw\n+00025840: 6826 2334 353b 2667 743b 6d6f 6475 6c65  h&#45;&gt;module\n+00025850: 5f73 7263 5f67 726f 6d61 6373 5f6d 6473  _src_gromacs_mds\n+00025860: 7061 6e3c 2f74 6974 6c65 3e0a 3c70 6174  pan</title>.<pat\n+00025870: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00025880: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n+00025890: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n+000258a0: 2235 2c32 2220 643d 224d 3136 3538 2e31  \"5,2\" d=\"M1658.1\n+000258b0: 372c 2d35 3231 2e35 3943 3136 3837 2e37  7,-521.59C1687.7\n+000258c0: 312c 2d35 3033 2e33 3120 3137 3435 2c2d  1,-503.31 1745,-\n+000258d0: 3436 302e 3937 2031 3734 352c 2d34 3037  460.97 1745,-407\n+000258e0: 2e36 3620 3137 3435 2c2d 3430 372e 3636  .66 1745,-407.66\n+000258f0: 2031 3734 352c 2d34 3037 2e36 3620 3137   1745,-407.66 17\n+00025900: 3435 2c2d 3237 392e 3932 2031 3734 352c  45,-279.92 1745,\n+00025910: 2d31 3731 2e37 3620 3135 3935 2e34 342c  -171.76 1595.44,\n+00025920: 2d31 3230 2e37 2031 3532 312e 3436 2c2d  -120.7 1521.46,-\n+00025930: 3130 322e 3036 222f 3e0a 3c70 6f6c 7967  102.06\"/>.<polyg\n+00025940: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n+00025950: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+00025960: 6322 2070 6f69 6e74 733d 2231 3532 322e  c\" points=\"1522.\n+00025970: 3039 2c2d 3938 2e36 3120 3135 3131 2e35  09,-98.61 1511.5\n+00025980: 342c 2d39 392e 3634 2031 3532 302e 3433  4,-99.64 1520.43\n+00025990: 2c2d 3130 352e 3431 2031 3532 322e 3039  ,-105.41 1522.09\n+000259a0: 2c2d 3938 2e36 3122 2f3e 0a3c 2f67 3e0a  ,-98.61\"/>.</g>.\n+000259b0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+000259c0: 6772 6f6d 6163 735f 6170 706c 6965 645f  gromacs_applied_\n+000259d0: 666f 7263 6573 5f61 7768 2623 3435 3b26  forces_awh&#45;&\n+000259e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+000259f0: 6f6d 6163 735f 7472 616a 6563 746f 7279  omacs_trajectory\n+00025a00: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+00025a10: 3237 3322 2063 6c61 7373 3d22 6564 6765  273\" class=\"edge\n+00025a20: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00025a30: 5f73 7263 5f67 726f 6d61 6373 5f61 7070  _src_gromacs_app\n+00025a40: 6c69 6564 5f66 6f72 6365 735f 6177 6826  lied_forces_awh&\n+00025a50: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00025a60: 7263 5f67 726f 6d61 6373 5f74 7261 6a65  rc_gromacs_traje\n+00025a70: 6374 6f72 793c 2f74 6974 6c65 3e0a 3c70  ctory</title>.<p\n+00025a80: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00025a90: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00025aa0: 2064 3d22 4d31 3636 322e 372c 2d35 3234   d=\"M1662.7,-524\n+00025ab0: 2e32 3143 3137 3137 2e38 342c 2d35 3035  .21C1717.84,-505\n+00025ac0: 2e32 3920 3138 3539 2c2d 3435 322e 3438  .29 1859,-452.48\n+00025ad0: 2031 3835 392c 2d34 3037 2e36 3620 3138   1859,-407.66 18\n+00025ae0: 3539 2c2d 3430 372e 3636 2031 3835 392c  59,-407.66 1859,\n+00025af0: 2d34 3037 2e36 3620 3138 3539 2c2d 3334  -407.66 1859,-34\n+00025b00: 322e 3739 2031 3835 392c 2d33 3033 2e38  2.79 1859,-303.8\n+00025b10: 3820 3138 3831 2e37 2c2d 3236 332e 3431  8 1881.7,-263.41\n+00025b20: 2031 3839 372e 3636 2c2d 3233 392e 3736   1897.66,-239.76\n+00025b30: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+00025b40: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n+00025b50: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n+00025b60: 6e74 733d 2231 3930 302e 3733 2c2d 3234  nts=\"1900.73,-24\n+00025b70: 312e 3437 2031 3930 332e 3539 2c2d 3233  1.47 1903.59,-23\n+00025b80: 312e 3237 2031 3839 352c 2d32 3337 2e34  1.27 1895,-237.4\n+00025b90: 3620 3139 3030 2e37 332c 2d32 3431 2e34  6 1900.73,-241.4\n+00025ba0: 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  7\"/>.</g>.<!-- m\n+00025bb0: 6f64 756c 655f 7372 635f 7072 6f67 7261  odule_src_progra\n+00025bc0: 6d73 5f6d 6472 756e 5f74 6573 7473 202d  ms_mdrun_tests -\n+00025bd0: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3439  ->.<g id=\"node49\n+00025be0: 2220 636c 6173 733d 226e 6f64 6522 3e0a  \" class=\"node\">.\n+00025bf0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+00025c00: 635f 7072 6f67 7261 6d73 5f6d 6472 756e  c_programs_mdrun\n+00025c10: 5f74 6573 7473 3c2f 7469 746c 653e 0a3c  _tests</title>.<\n+00025c20: 6720 6964 3d22 615f 6e6f 6465 3439 223e  g id=\"a_node49\">\n+00025c30: 3c61 2078 6c69 6e6b 3a68 7265 663d 2267  <a xlink:href=\"g\n+00025c40: 726f 7570 5f5f 6d6f 6475 6c65 5f5f 6d64  roup__module__md\n+00025c50: 7275 6e5f 5f69 6e74 6567 7261 7469 6f6e  run__integration\n+00025c60: 5f5f 7465 7374 732e 7868 746d 6c22 2074  __tests.xhtml\" t\n+00025c70: 6172 6765 743d 225f 746f 7022 2078 6c69  arget=\"_top\" xli\n+00025c80: 6e6b 3a74 6974 6c65 3d22 6d64 7275 6e5f  nk:title=\"mdrun_\n+00025c90: 696e 7465 6772 6174 696f 6e5f 7465 7374  integration_test\n+00025ca0: 7322 3e0a 3c65 6c6c 6970 7365 2066 696c  s\">.<ellipse fil\n+00025cb0: 6c3d 2223 6535 6363 6666 2220 7374 726f  l=\"#e5ccff\" stro\n+00025cc0: 6b65 3d22 626c 6163 6b22 2063 783d 2232  ke=\"black\" cx=\"2\n+00025cd0: 3538 3322 2063 793d 222d 3135 352e 3138  583\" cy=\"-155.18\n+00025ce0: 2220 7278 3d22 3835 2e36 3222 2072 793d  \" rx=\"85.62\" ry=\n+00025cf0: 2231 332e 3337 222f 3e0a 3c74 6578 7420  \"13.37\"/>.<text \n+00025d00: 7465 7874 2d61 6e63 686f 723d 226d 6964  text-anchor=\"mid\n+00025d10: 646c 6522 2078 3d22 3235 3833 2220 793d  dle\" x=\"2583\" y=\n+00025d20: 222d 3135 322e 3638 2220 666f 6e74 2d66  \"-152.68\" font-f\n+00025d30: 616d 696c 793d 2246 7265 6553 616e 7322  amily=\"FreeSans\"\n+00025d40: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30   font-size=\"10.0\n+00025d50: 3022 3e6d 6472 756e 5f69 6e74 6567 7261  0\">mdrun_integra\n+00025d60: 7469 6f6e 5f74 6573 7473 3c2f 7465 7874  tion_tests</text\n+00025d70: 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e  >.</a>.</g>.</g>\n+00025d80: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00025d90: 5f70 726f 6772 616d 735f 6d64 7275 6e5f  _programs_mdrun_\n+00025da0: 7465 7374 7326 2334 353b 2667 743b 6d6f  tests&#45;&gt;mo\n+00025db0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00025dc0: 5f68 6172 6477 6172 6520 2d2d 3e0a 3c67  _hardware -->.<g\n+00025dd0: 2069 643d 2265 6467 6532 3831 2220 636c   id=\"edge281\" cl\n+00025de0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00025df0: 6c65 3e6d 6f64 756c 655f 7372 635f 7072  le>module_src_pr\n+00025e00: 6f67 7261 6d73 5f6d 6472 756e 5f74 6573  ograms_mdrun_tes\n+00025e10: 7473 2623 3435 3b26 6774 3b6d 6f64 756c  ts&#45;&gt;modul\n+00025e20: 655f 7372 635f 6772 6f6d 6163 735f 6861  e_src_gromacs_ha\n+00025e30: 7264 7761 7265 3c2f 7469 746c 653e 0a3c  rdware</title>.<\n+00025e40: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00025e50: 2073 7472 6f6b 653d 2223 3263 6363 3238   stroke=\"#2ccc28\n+00025e60: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+00025e70: 6179 3d22 352c 3222 2064 3d22 4d32 3537  ay=\"5,2\" d=\"M257\n+00025e80: 362e 342c 2d31 3638 2e38 3243 3235 3636  6.4,-168.82C2566\n+00025e90: 2e31 332c 2d31 3839 2e30 3720 3235 3436  .13,-189.07 2546\n+00025ea0: 2e33 392c 2d32 3330 2e33 3120 3235 3336  .39,-230.31 2536\n+00025eb0: 2c2d 3236 372e 3438 2032 3439 362e 3436  ,-267.48 2496.46\n+00025ec0: 2c2d 3430 382e 3835 2032 3438 382c 2d34  ,-408.85 2488,-4\n+00025ed0: 3437 2e34 3720 3234 3838 2c2d 3539 342e  47.47 2488,-594.\n+00025ee0: 3237 2032 3438 382c 2d37 3232 2e30 3120  27 2488,-722.01 \n+00025ef0: 3234 3838 2c2d 3732 322e 3031 2032 3438  2488,-722.01 248\n+00025f00: 382c 2d37 3232 2e30 3120 3234 3838 2c2d  8,-722.01 2488,-\n+00025f10: 3832 382e 3234 2036 3834 2e39 322c 2d38  828.24 684.92,-8\n+00025f20: 3235 2e31 3220 3537 392c 2d38 3333 2e33  25.12 579,-833.3\n+00025f30: 3120 3535 312e 3831 2c2d 3833 352e 3431  1 551.81,-835.41\n+00025f40: 2035 3231 2e34 362c 2d38 3338 2e33 3120   521.46,-838.31 \n+00025f50: 3439 372e 3033 2c2d 3834 302e 3738 222f  497.03,-840.78\"/\n+00025f60: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00025f70: 2223 3263 6363 3238 2220 7374 726f 6b65  \"#2ccc28\" stroke\n+00025f80: 3d22 2332 6363 6332 3822 2070 6f69 6e74  =\"#2ccc28\" point\n+00025f90: 733d 2234 3936 2e35 342c 2d38 3337 2e33  s=\"496.54,-837.3\n+00025fa0: 3120 3438 362e 3935 2c2d 3834 312e 3831  1 486.95,-841.81\n+00025fb0: 2034 3937 2e32 352c 2d38 3434 2e32 3820   497.25,-844.28 \n+00025fc0: 3439 362e 3534 2c2d 3833 372e 3331 222f  496.54,-837.31\"/\n+00025fd0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00025fe0: 6c65 5f73 7263 5f70 726f 6772 616d 735f  le_src_programs_\n+00025ff0: 6d64 7275 6e5f 7465 7374 7326 2334 353b  mdrun_tests&#45;\n+00026000: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00026010: 726f 6d61 6373 5f66 696c 6569 6f20 2d2d  romacs_fileio --\n+00026020: 3e0a 3c67 2069 643d 2265 6467 6532 3735  >.<g id=\"edge275\n+00026030: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+00026040: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+00026050: 635f 7072 6f67 7261 6d73 5f6d 6472 756e  c_programs_mdrun\n+00026060: 5f74 6573 7473 2623 3435 3b26 6774 3b6d  _tests&#45;&gt;m\n+00026070: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00026080: 735f 6669 6c65 696f 3c2f 7469 746c 653e  s_fileio</title>\n+00026090: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+000260a0: 6522 2073 7472 6f6b 653d 2223 3263 6363  e\" stroke=\"#2ccc\n+000260b0: 3238 2220 7374 726f 6b65 2d64 6173 6861  28\" stroke-dasha\n+000260c0: 7272 6179 3d22 352c 3222 2064 3d22 4d32  rray=\"5,2\" d=\"M2\n+000260d0: 3535 372e 3232 2c2d 3136 382e 3031 4332  557.22,-168.01C2\n+000260e0: 3533 392e 3035 2c2d 3137 362e 3920 3235  539.05,-176.9 25\n+000260f0: 3134 2e35 372c 2d31 3930 2e30 3120 3234  14.57,-190.01 24\n+00026100: 3935 2c2d 3230 342e 3631 2032 3434 392e  95,-204.61 2449.\n+00026110: 3437 2c2d 3233 382e 3537 2032 3435 332e  47,-238.57 2453.\n+00026120: 3931 2c2d 3236 372e 3233 2032 3430 342c  91,-267.23 2404,\n+00026130: 2d32 3934 2e33 3520 3231 3431 2e36 362c  -294.35 2141.66,\n+00026140: 2d34 3336 2e39 3420 3137 3730 2e31 312c  -436.94 1770.11,\n+00026150: 2d34 3632 2e38 3220 3136 3532 2e33 322c  -462.82 1652.32,\n+00026160: 2d34 3637 2e35 222f 3e0a 3c70 6f6c 7967  -467.5\"/>.<polyg\n+00026170: 6f6e 2066 696c 6c3d 2223 3263 6363 3238  on fill=\"#2ccc28\n+00026180: 2220 7374 726f 6b65 3d22 2332 6363 6332  \" stroke=\"#2ccc2\n+00026190: 3822 2070 6f69 6e74 733d 2231 3635 312e  8\" points=\"1651.\n+000261a0: 3931 2c2d 3436 342e 3031 2031 3634 322e  91,-464.01 1642.\n+000261b0: 3035 2c2d 3436 372e 3838 2031 3635 322e  05,-467.88 1652.\n+000261c0: 3137 2c2d 3437 312e 3031 2031 3635 312e  17,-471.01 1651.\n+000261d0: 3931 2c2d 3436 342e 3031 222f 3e0a 3c2f  91,-464.01\"/>.</\n+000261e0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+000261f0: 7263 5f70 726f 6772 616d 735f 6d64 7275  rc_programs_mdru\n+00026200: 6e5f 7465 7374 7326 2334 353b 2667 743b  n_tests&#45;&gt;\n+00026210: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00026220: 6373 5f65 7761 6c64 202d 2d3e 0a3c 6720  cs_ewald -->.<g \n+00026230: 6964 3d22 6564 6765 3238 3322 2063 6c61  id=\"edge283\" cla\n+00026240: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+00026250: 653e 6d6f 6475 6c65 5f73 7263 5f70 726f  e>module_src_pro\n+00026260: 6772 616d 735f 6d64 7275 6e5f 7465 7374  grams_mdrun_test\n+00026270: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+00026280: 5f73 7263 5f67 726f 6d61 6373 5f65 7761  _src_gromacs_ewa\n+00026290: 6c64 3c2f 7469 746c 653e 0a3c 7061 7468  ld</title>.<path\n+000262a0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+000262b0: 6f6b 653d 2223 3263 6363 3238 2220 7374  oke=\"#2ccc28\" st\n+000262c0: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+000262d0: 352c 3222 2064 3d22 4d32 3538 302e 3137  5,2\" d=\"M2580.17\n+000262e0: 2c2d 3136 382e 3634 4332 3536 382e 3637  ,-168.64C2568.67\n+000262f0: 2c2d 3232 302e 3531 2032 3532 362c 2d34  ,-220.51 2526,-4\n+00026300: 3234 2e33 3820 3235 3236 2c2d 3539 342e  24.38 2526,-594.\n+00026310: 3237 2032 3532 362c 2d37 3232 2e30 3120  27 2526,-722.01 \n+00026320: 3235 3236 2c2d 3732 322e 3031 2032 3532  2526,-722.01 252\n+00026330: 362c 2d37 3232 2e30 3120 3235 3236 2c2d  6,-722.01 2526,-\n+00026340: 3933 392e 3534 2037 3338 2e35 372c 2d39  939.54 738.57,-9\n+00026350: 3637 2e39 3520 3435 302e 312c 2d39 3731  67.95 450.1,-971\n+00026360: 2e31 3222 2f3e 0a3c 706f 6c79 676f 6e20  .12\"/>.<polygon \n+00026370: 6669 6c6c 3d22 2332 6363 6332 3822 2073  fill=\"#2ccc28\" s\n+00026380: 7472 6f6b 653d 2223 3263 6363 3238 2220  troke=\"#2ccc28\" \n+00026390: 706f 696e 7473 3d22 3435 302e 3036 2c2d  points=\"450.06,-\n+000263a0: 3936 372e 3632 2034 3430 2e30 392c 2d39  967.62 440.09,-9\n+000263b0: 3731 2e32 3320 3435 302e 3133 2c2d 3937  71.23 450.13,-97\n+000263c0: 342e 3632 2034 3530 2e30 362c 2d39 3637  4.62 450.06,-967\n+000263d0: 2e36 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .62\"/>.</g>.<!--\n+000263e0: 206d 6f64 756c 655f 7372 635f 7072 6f67   module_src_prog\n+000263f0: 7261 6d73 5f6d 6472 756e 5f74 6573 7473  rams_mdrun_tests\n+00026400: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00026410: 7372 635f 6772 6f6d 6163 735f 636f 6d6d  src_gromacs_comm\n+00026420: 616e 646c 696e 6520 2d2d 3e0a 3c67 2069  andline -->.<g i\n+00026430: 643d 2265 6467 6532 3738 2220 636c 6173  d=\"edge278\" clas\n+00026440: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+00026450: 3e6d 6f64 756c 655f 7372 635f 7072 6f67  >module_src_prog\n+00026460: 7261 6d73 5f6d 6472 756e 5f74 6573 7473  rams_mdrun_tests\n+00026470: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00026480: 7372 635f 6772 6f6d 6163 735f 636f 6d6d  src_gromacs_comm\n+00026490: 616e 646c 696e 653c 2f74 6974 6c65 3e0a  andline</title>.\n+000264a0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+000264b0: 2220 7374 726f 6b65 3d22 2332 6363 6332  \" stroke=\"#2ccc2\n+000264c0: 3822 2073 7472 6f6b 652d 6461 7368 6172  8\" stroke-dashar\n+000264d0: 7261 793d 2235 2c32 2220 643d 224d 3235  ray=\"5,2\" d=\"M25\n+000264e0: 3232 2e30 312c 2d31 3435 2e36 3943 3235  22.01,-145.69C25\n+000264f0: 3039 2e31 352c 2d31 3434 2e31 3620 3234  09.15,-144.16 24\n+00026500: 3935 2e36 352c 2d31 3432 2e37 3320 3234  95.65,-142.73 24\n+00026510: 3833 2c2d 3134 312e 3734 2032 3431 302e  83,-141.74 2410.\n+00026520: 3738 2c2d 3133 362e 3039 2031 3332 352e  78,-136.09 1325.\n+00026530: 3832 2c2d 3130 332e 3332 2031 3035 332e  82,-103.32 1053.\n+00026540: 3539 2c2d 3935 2e31 3522 2f3e 0a3c 706f  59,-95.15\"/>.<po\n+00026550: 6c79 676f 6e20 6669 6c6c 3d22 2332 6363  lygon fill=\"#2cc\n+00026560: 6332 3822 2073 7472 6f6b 653d 2223 3263  c28\" stroke=\"#2c\n+00026570: 6363 3238 2220 706f 696e 7473 3d22 3130  cc28\" points=\"10\n+00026580: 3533 2e36 2c2d 3931 2e36 3520 3130 3433  53.6,-91.65 1043\n+00026590: 2e35 2c2d 3934 2e38 3520 3130 3533 2e33  .5,-94.85 1053.3\n+000265a0: 392c 2d39 382e 3634 2031 3035 332e 362c  9,-98.64 1053.6,\n+000265b0: 2d39 312e 3635 222f 3e0a 3c2f 673e 0a3c  -91.65\"/>.</g>.<\n+000265c0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f70  !-- module_src_p\n+000265d0: 726f 6772 616d 735f 6d64 7275 6e5f 7465  rograms_mdrun_te\n+000265e0: 7374 7326 2334 353b 2667 743b 6d6f 6475  sts&#45;&gt;modu\n+000265f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n+00026600: 6f6f 6c73 202d 2d3e 0a3c 6720 6964 3d22  ools -->.<g id=\"\n+00026610: 6564 6765 3238 3222 2063 6c61 7373 3d22  edge282\" class=\"\n+00026620: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00026630: 6475 6c65 5f73 7263 5f70 726f 6772 616d  dule_src_program\n+00026640: 735f 6d64 7275 6e5f 7465 7374 7326 2334  s_mdrun_tests&#4\n+00026650: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00026660: 5f67 726f 6d61 6373 5f74 6f6f 6c73 3c2f  _gromacs_tools</\n+00026670: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00026680: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00026690: 2223 3263 6363 3238 2220 7374 726f 6b65  \"#2ccc28\" stroke\n+000266a0: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+000266b0: 2064 3d22 4d32 3634 382e 3935 2c2d 3136   d=\"M2648.95,-16\n+000266c0: 332e 3843 3237 3136 2e32 382c 2d31 3735  3.8C2716.28,-175\n+000266d0: 2e36 3820 3238 3131 2c2d 3230 352e 3620  .68 2811,-205.6 \n+000266e0: 3238 3131 2c2d 3237 392e 3932 2032 3831  2811,-279.92 281\n+000266f0: 312c 2d38 3437 2e37 3520 3238 3131 2c2d  1,-847.75 2811,-\n+00026700: 3834 372e 3735 2032 3831 312c 2d38 3437  847.75 2811,-847\n+00026710: 2e37 3520 3238 3131 2c2d 3130 3131 2e36  .75 2811,-1011.6\n+00026720: 3720 3237 3638 2e31 332c 2d31 3037 322e  7 2768.13,-1072.\n+00026730: 3239 2032 3634 302c 2d31 3137 342e 3533  29 2640,-1174.53\n+00026740: 2032 3535 342e 3438 2c2d 3132 3432 2e37   2554.48,-1242.7\n+00026750: 3720 3235 3130 2e33 312c 2d31 3232 312e  7 2510.31,-1221.\n+00026760: 3935 2032 3430 322c 2d31 3233 372e 3420  95 2402,-1237.4 \n+00026770: 3232 3037 2e39 382c 2d31 3236 352e 3037  2207.98,-1265.07\n+00026780: 2037 3538 2e38 312c 2d31 3238 322e 3538   758.81,-1282.58\n+00026790: 2035 3037 2e31 392c 2d31 3238 352e 3433   507.19,-1285.43\n+000267a0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+000267b0: 6c3d 2223 3263 6363 3238 2220 7374 726f  l=\"#2ccc28\" stro\n+000267c0: 6b65 3d22 2332 6363 6332 3822 2070 6f69  ke=\"#2ccc28\" poi\n+000267d0: 6e74 733d 2235 3037 2e30 352c 2d31 3238  nts=\"507.05,-128\n+000267e0: 312e 3933 2034 3937 2e30 392c 2d31 3238  1.93 497.09,-128\n+000267f0: 352e 3534 2035 3037 2e31 332c 2d31 3238  5.54 507.13,-128\n+00026800: 382e 3933 2035 3037 2e30 352c 2d31 3238  8.93 507.05,-128\n+00026810: 312e 3933 222f 3e0a 3c2f 673e 0a3c 212d  1.93\"/>.</g>.<!-\n+00026820: 2d20 6d6f 6475 6c65 5f73 7263 5f70 726f  - module_src_pro\n+00026830: 6772 616d 735f 6d64 7275 6e5f 7465 7374  grams_mdrun_test\n+00026840: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+00026850: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n+00026860: 616e 6120 2d2d 3e0a 3c67 2069 643d 2265  ana -->.<g id=\"e\n+00026870: 6467 6532 3739 2220 636c 6173 733d 2265  dge279\" class=\"e\n+00026880: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00026890: 756c 655f 7372 635f 7072 6f67 7261 6d73  ule_src_programs\n+000268a0: 5f6d 6472 756e 5f74 6573 7473 2623 3435  _mdrun_tests&#45\n+000268b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+000268c0: 6772 6f6d 6163 735f 676d 7861 6e61 3c2f  gromacs_gmxana</\n+000268d0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+000268e0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+000268f0: 2223 3263 6363 3238 2220 7374 726f 6b65  \"#2ccc28\" stroke\n+00026900: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+00026910: 2064 3d22 4d32 3631 382e 3634 2c2d 3136   d=\"M2618.64,-16\n+00026920: 372e 3437 4332 3636 332e 3536 2c2d 3138  7.47C2663.56,-18\n+00026930: 342e 3220 3237 3335 2c2d 3232 302e 3220  4.2 2735,-220.2 \n+00026940: 3237 3335 2c2d 3237 392e 3932 2032 3733  2735,-279.92 273\n+00026950: 352c 2d38 3437 2e37 3520 3237 3335 2c2d  5,-847.75 2735,-\n+00026960: 3834 372e 3735 2032 3733 352c 2d38 3437  847.75 2735,-847\n+00026970: 2e37 3520 3237 3335 2c2d 3930 352e 3920  .75 2735,-905.9 \n+00026980: 3236 3737 2e36 322c 2d38 3932 2e37 3320  2677.62,-892.73 \n+00026990: 3236 3238 2c2d 3932 332e 3035 2032 3437  2628,-923.05 247\n+000269a0: 342e 322c 2d31 3031 372e 3033 2032 3433  4.2,-1017.03 243\n+000269b0: 392e 3734 2c2d 3130 3533 2e39 3320 3232  9.74,-1053.93 22\n+000269c0: 3639 2c2d 3131 3131 2e36 3620 3231 3836  69,-1111.66 2186\n+000269d0: 2e38 372c 2d31 3133 392e 3433 2032 3038  .87,-1139.43 208\n+000269e0: 352e 3831 2c2d 3131 3531 2e37 3820 3230  5.81,-1151.78 20\n+000269f0: 3238 2e37 362c 2d31 3135 362e 3837 222f  28.76,-1156.87\"/\n+00026a00: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00026a10: 2223 3263 6363 3238 2220 7374 726f 6b65  \"#2ccc28\" stroke\n+00026a20: 3d22 2332 6363 6332 3822 2070 6f69 6e74  =\"#2ccc28\" point\n+00026a30: 733d 2232 3032 382e 332c 2d31 3135 332e  s=\"2028.3,-1153.\n+00026a40: 3420 3230 3138 2e36 342c 2d31 3135 372e  4 2018.64,-1157.\n+00026a50: 3734 2032 3032 382e 392c 2d31 3136 302e  74 2028.9,-1160.\n+00026a60: 3337 2032 3032 382e 332c 2d31 3135 332e  37 2028.3,-1153.\n+00026a70: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  4\"/>.</g>.<!-- m\n+00026a80: 6f64 756c 655f 7372 635f 7072 6f67 7261  odule_src_progra\n+00026a90: 6d73 5f6d 6472 756e 5f74 6573 7473 2623  ms_mdrun_tests&#\n+00026aa0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00026ab0: 635f 6772 6f6d 6163 735f 6d64 7370 616e  c_gromacs_mdspan\n+00026ac0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+00026ad0: 3237 3622 2063 6c61 7373 3d22 6564 6765  276\" class=\"edge\n+00026ae0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00026af0: 5f73 7263 5f70 726f 6772 616d 735f 6d64  _src_programs_md\n+00026b00: 7275 6e5f 7465 7374 7326 2334 353b 2667  run_tests&#45;&g\n+00026b10: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00026b20: 6d61 6373 5f6d 6473 7061 6e3c 2f74 6974  macs_mdspan</tit\n+00026b30: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00026b40: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265  none\" stroke=\"re\n+00026b50: 6422 2064 3d22 4d32 3532 312e 3436 2c2d  d\" d=\"M2521.46,-\n+00026b60: 3134 352e 3738 4332 3530 382e 3736 2c2d  145.78C2508.76,-\n+00026b70: 3134 342e 3236 2032 3439 352e 3436 2c2d  144.26 2495.46,-\n+00026b80: 3134 322e 3831 2032 3438 332c 2d31 3431  142.81 2483,-141\n+00026b90: 2e37 3420 3231 3135 2e32 342c 2d31 3130  .74 2115.24,-110\n+00026ba0: 2e30 3320 3136 3639 2e36 312c 2d39 372e  .03 1669.61,-97.\n+00026bb0: 3633 2031 3532 372e 3133 2c2d 3934 2e33  63 1527.13,-94.3\n+00026bc0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+00026bd0: 6c3d 2272 6564 2220 7374 726f 6b65 3d22  l=\"red\" stroke=\"\n+00026be0: 7265 6422 2070 6f69 6e74 733d 2231 3532  red\" points=\"152\n+00026bf0: 372e 3039 2c2d 3930 2e38 2031 3531 372e  7.09,-90.8 1517.\n+00026c00: 3031 2c2d 3934 2e30 3620 3135 3236 2e39  01,-94.06 1526.9\n+00026c10: 332c 2d39 372e 3739 2031 3532 372e 3039  3,-97.79 1527.09\n+00026c20: 2c2d 3930 2e38 222f 3e0a 3c2f 673e 0a3c  ,-90.8\"/>.</g>.<\n+00026c30: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f70  !-- module_src_p\n+00026c40: 726f 6772 616d 735f 6d64 7275 6e5f 7465  rograms_mdrun_te\n+00026c50: 7374 7326 2334 353b 2667 743b 6d6f 6475  sts&#45;&gt;modu\n+00026c60: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6f  le_src_gromacs_o\n+00026c70: 6e6c 696e 6568 656c 7020 2d2d 3e0a 3c67  nlinehelp -->.<g\n+00026c80: 2069 643d 2265 6467 6532 3834 2220 636c   id=\"edge284\" cl\n+00026c90: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00026ca0: 6c65 3e6d 6f64 756c 655f 7372 635f 7072  le>module_src_pr\n+00026cb0: 6f67 7261 6d73 5f6d 6472 756e 5f74 6573  ograms_mdrun_tes\n+00026cc0: 7473 2623 3435 3b26 6774 3b6d 6f64 756c  ts&#45;&gt;modul\n+00026cd0: 655f 7372 635f 6772 6f6d 6163 735f 6f6e  e_src_gromacs_on\n+00026ce0: 6c69 6e65 6865 6c70 3c2f 7469 746c 653e  linehelp</title>\n+00026cf0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+00026d00: 6522 2073 7472 6f6b 653d 2223 3263 6363  e\" stroke=\"#2ccc\n+00026d10: 3238 2220 7374 726f 6b65 2d64 6173 6861  28\" stroke-dasha\n+00026d20: 7272 6179 3d22 352c 3222 2064 3d22 4d32  rray=\"5,2\" d=\"M2\n+00026d30: 3532 302e 3634 2c2d 3134 352e 3934 4332  520.64,-145.94C2\n+00026d40: 3530 382e 3138 2c2d 3134 342e 3433 2032  508.18,-144.43 2\n+00026d50: 3439 352e 3139 2c2d 3134 322e 3935 2032  495.19,-142.95 2\n+00026d60: 3438 332c 2d31 3431 2e37 3420 3139 3139  483,-141.74 1919\n+00026d70: 2e36 322c 2d38 352e 3732 2031 3233 332e  .62,-85.72 1233.\n+00026d80: 3932 2c2d 3434 2e33 3620 3130 3433 2e32  92,-44.36 1043.2\n+00026d90: 392c 2d33 332e 3335 222f 3e0a 3c70 6f6c  9,-33.35\"/>.<pol\n+00026da0: 7967 6f6e 2066 696c 6c3d 2223 3263 6363  ygon fill=\"#2ccc\n+00026db0: 3238 2220 7374 726f 6b65 3d22 2332 6363  28\" stroke=\"#2cc\n+00026dc0: 6332 3822 2070 6f69 6e74 733d 2231 3034  c28\" points=\"104\n+00026dd0: 332e 3436 2c2d 3239 2e38 3520 3130 3333  3.46,-29.85 1033\n+00026de0: 2e32 372c 2d33 322e 3737 2031 3034 332e  .27,-32.77 1043.\n+00026df0: 3036 2c2d 3336 2e38 3420 3130 3433 2e34  06,-36.84 1043.4\n+00026e00: 362c 2d32 392e 3835 222f 3e0a 3c2f 673e  6,-29.85\"/>.</g>\n+00026e10: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00026e20: 5f70 726f 6772 616d 735f 6d64 7275 6e5f  _programs_mdrun_\n+00026e30: 7465 7374 7326 2334 353b 2667 743b 6d6f  tests&#45;&gt;mo\n+00026e40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00026e50: 5f67 6d78 7072 6570 726f 6365 7373 202d  _gmxpreprocess -\n+00026e60: 2d3e 0a3c 6720 6964 3d22 6564 6765 3238  ->.<g id=\"edge28\n+00026e70: 3022 2063 6c61 7373 3d22 6564 6765 223e  0\" class=\"edge\">\n+00026e80: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00026e90: 7263 5f70 726f 6772 616d 735f 6d64 7275  rc_programs_mdru\n+00026ea0: 6e5f 7465 7374 7326 2334 353b 2667 743b  n_tests&#45;&gt;\n+00026eb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00026ec0: 6373 5f67 6d78 7072 6570 726f 6365 7373  cs_gmxpreprocess\n+00026ed0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00026ee0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00026ef0: 653d 2223 3263 6363 3238 2220 7374 726f  e=\"#2ccc28\" stro\n+00026f00: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+00026f10: 3222 2064 3d22 4d32 3633 332e 3432 2c2d  2\" d=\"M2633.42,-\n+00026f20: 3136 362e 3136 4332 3638 392e 3731 2c2d  166.16C2689.71,-\n+00026f30: 3138 302e 3538 2032 3737 332c 2d32 3133  180.58 2773,-213\n+00026f40: 2e31 3920 3237 3733 2c2d 3237 392e 3932  .19 2773,-279.92\n+00026f50: 2032 3737 332c 2d38 3437 2e37 3520 3237   2773,-847.75 27\n+00026f60: 3733 2c2d 3834 372e 3735 2032 3737 332c  73,-847.75 2773,\n+00026f70: 2d38 3437 2e37 3520 3237 3733 2c2d 3936  -847.75 2773,-96\n+00026f80: 302e 3234 2032 3630 322c 2d39 3231 2e38  0.24 2602,-921.8\n+00026f90: 3620 3236 3032 2c2d 3130 3334 2e33 3620  6 2602,-1034.36 \n+00026fa0: 3236 3032 2c2d 3130 3939 2e32 3320 3236  2602,-1099.23 26\n+00026fb0: 3032 2c2d 3130 3939 2e32 3320 3236 3032  02,-1099.23 2602\n+00026fc0: 2c2d 3130 3939 2e32 3320 3236 3032 2c2d  ,-1099.23 2602,-\n+00026fd0: 3131 3634 2e30 3820 3235 3338 2e39 312c  1164.08 2538.91,\n+00026fe0: 2d31 3135 352e 3220 3234 3737 2c2d 3131  -1155.2 2477,-11\n+00026ff0: 3734 2e35 3320 3233 3437 2e36 392c 2d31  74.53 2347.69,-1\n+00027000: 3231 342e 3920 3139 3431 2e33 2c2d 3132  214.9 1941.3,-12\n+00027010: 3231 2e37 3120 3137 3737 2e39 372c 2d31  21.71 1777.97,-1\n+00027020: 3232 322e 3739 222f 3e0a 3c70 6f6c 7967  222.79\"/>.<polyg\n+00027030: 6f6e 2066 696c 6c3d 2223 3263 6363 3238  on fill=\"#2ccc28\n+00027040: 2220 7374 726f 6b65 3d22 2332 6363 6332  \" stroke=\"#2ccc2\n+00027050: 3822 2070 6f69 6e74 733d 2231 3737 372e  8\" points=\"1777.\n+00027060: 3535 2c2d 3132 3139 2e32 3920 3137 3637  55,-1219.29 1767\n+00027070: 2e35 372c 2d31 3232 322e 3835 2031 3737  .57,-1222.85 177\n+00027080: 372e 3539 2c2d 3132 3236 2e32 3920 3137  7.59,-1226.29 17\n+00027090: 3737 2e35 352c 2d31 3231 392e 3239 222f  77.55,-1219.29\"/\n+000270a0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+000270b0: 6c65 5f73 7263 5f70 726f 6772 616d 735f  le_src_programs_\n+000270c0: 6d64 7275 6e5f 7465 7374 7326 2334 353b  mdrun_tests&#45;\n+000270d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+000270e0: 726f 6d61 6373 5f74 7261 6a65 6374 6f72  romacs_trajector\n+000270f0: 7920 2d2d 3e0a 3c67 2069 643d 2265 6467  y -->.<g id=\"edg\n+00027100: 6532 3737 2220 636c 6173 733d 2265 6467  e277\" class=\"edg\n+00027110: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00027120: 655f 7372 635f 7072 6f67 7261 6d73 5f6d  e_src_programs_m\n+00027130: 6472 756e 5f74 6573 7473 2623 3435 3b26  drun_tests&#45;&\n+00027140: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00027150: 6f6d 6163 735f 7472 616a 6563 746f 7279  omacs_trajectory\n+00027160: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00027170: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00027180: 653d 2223 3263 6363 3238 2220 7374 726f  e=\"#2ccc28\" stro\n+00027190: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+000271a0: 3222 2064 3d22 4d32 3531 372e 3239 2c2d  2\" d=\"M2517.29,-\n+000271b0: 3136 332e 3831 4332 3530 322e 3431 2c2d  163.81C2502.41,-\n+000271c0: 3136 352e 3437 2032 3438 362e 3637 2c2d  165.47 2486.67,-\n+000271d0: 3136 372e 3135 2032 3437 322c 2d31 3638  167.15 2472,-168\n+000271e0: 2e36 3120 3232 3834 2e30 312c 2d31 3837  .61 2284.01,-187\n+000271f0: 2e32 3820 3230 3630 2e30 342c 2d32 3035  .28 2060.04,-205\n+00027200: 2e34 3620 3139 3632 2e34 392c 2d32 3133  .46 1962.49,-213\n+00027210: 2e31 3822 2f3e 0a3c 706f 6c79 676f 6e20  .18\"/>.<polygon \n+00027220: 6669 6c6c 3d22 2332 6363 6332 3822 2073  fill=\"#2ccc28\" s\n+00027230: 7472 6f6b 653d 2223 3263 6363 3238 2220  troke=\"#2ccc28\" \n+00027240: 706f 696e 7473 3d22 3139 3632 2e30 332c  points=\"1962.03,\n+00027250: 2d32 3039 2e37 2031 3935 322e 3334 2c2d  -209.7 1952.34,-\n+00027260: 3231 332e 3938 2031 3936 322e 3538 2c2d  213.98 1962.58,-\n+00027270: 3231 362e 3638 2031 3936 322e 3033 2c2d  216.68 1962.03,-\n+00027280: 3230 392e 3722 2f3e 0a3c 2f67 3e0a 3c21  209.7\"/>.</g>.<!\n+00027290: 2d2d 206d 6f64 756c 655f 7372 635f 7465  -- module_src_te\n+000272a0: 7374 7574 696c 7326 2334 353b 2667 743b  stutils&#45;&gt;\n+000272b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000272c0: 6373 5f68 6172 6477 6172 6520 2d2d 3e0a  cs_hardware -->.\n+000272d0: 3c67 2069 643d 2265 6467 6532 3635 2220  <g id=\"edge265\" \n+000272e0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+000272f0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00027300: 7465 7374 7574 696c 7326 2334 353b 2667  testutils&#45;&g\n+00027310: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00027320: 6d61 6373 5f68 6172 6477 6172 653c 2f74  macs_hardware</t\n+00027330: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00027340: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00027350: 7265 6422 2064 3d22 4d32 3535 302e 3034  red\" d=\"M2550.04\n+00027360: 2c2d 3930 342e 3131 4332 3532 382c 2d39  ,-904.11C2528,-9\n+00027370: 3031 2e33 2032 3439 382e 3332 2c2d 3839  01.3 2498.32,-89\n+00027380: 372e 3920 3234 3732 2c2d 3839 362e 3138  7.9 2472,-896.18\n+00027390: 2031 3633 322e 3331 2c2d 3834 312e 3238   1632.31,-841.28\n+000273a0: 2031 3431 392e 3039 2c2d 3930 382e 3539   1419.09,-908.59\n+000273b0: 2035 3739 2c2d 3836 302e 3138 2035 3531   579,-860.18 551\n+000273c0: 2e36 382c 2d38 3538 2e36 3120 3532 312e  .68,-858.61 521.\n+000273d0: 322c 2d38 3535 2e37 3220 3439 362e 3733  2,-855.72 496.73\n+000273e0: 2c2d 3835 332e 3133 222f 3e0a 3c70 6f6c  ,-853.13\"/>.<pol\n+000273f0: 7967 6f6e 2066 696c 6c3d 2272 6564 2220  ygon fill=\"red\" \n+00027400: 7374 726f 6b65 3d22 7265 6422 2070 6f69  stroke=\"red\" poi\n+00027410: 6e74 733d 2234 3936 2e39 362c 2d38 3439  nts=\"496.96,-849\n+00027420: 2e36 3320 3438 362e 3634 2c2d 3835 322e  .63 486.64,-852.\n+00027430: 3034 2034 3936 2e32 312c 2d38 3536 2e35  04 496.21,-856.5\n+00027440: 3920 3439 362e 3936 2c2d 3834 392e 3633  9 496.96,-849.63\n+00027450: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+00027460: 6475 6c65 5f73 7263 5f74 6573 7475 7469  dule_src_testuti\n+00027470: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c  ls&#45;&gt;modul\n+00027480: 655f 7372 635f 6772 6f6d 6163 735f 6770  e_src_gromacs_gp\n+00027490: 755f 7574 696c 7320 2d2d 3e0a 3c67 2069  u_utils -->.<g i\n+000274a0: 643d 2265 6467 6532 3634 2220 636c 6173  d=\"edge264\" clas\n+000274b0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+000274c0: 3e6d 6f64 756c 655f 7372 635f 7465 7374  >module_src_test\n+000274d0: 7574 696c 7326 2334 353b 2667 743b 6d6f  utils&#45;&gt;mo\n+000274e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000274f0: 5f67 7075 5f75 7469 6c73 3c2f 7469 746c  _gpu_utils</titl\n+00027500: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+00027510: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n+00027520: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n+00027530: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n+00027540: 4d32 3534 392e 3533 2c2d 3930 342e 3432  M2549.53,-904.42\n+00027550: 4332 3532 372e 3532 2c2d 3930 312e 3737  C2527.52,-901.77\n+00027560: 2032 3439 382e 3038 2c2d 3839 382e 3434   2498.08,-898.44\n+00027570: 2032 3437 322c 2d38 3936 2e31 3820 3137   2472,-896.18 17\n+00027580: 3638 2e33 362c 2d38 3335 2e33 3420 3930  68.36,-835.34 90\n+00027590: 392e 3138 2c2d 3739 362e 3134 2036 3937  9.18,-796.14 697\n+000275a0: 2e30 372c 2d37 3836 2e39 3622 2f3e 0a3c  .07,-786.96\"/>.<\n+000275b0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n+000275c0: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n+000275d0: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n+000275e0: 3639 372e 3032 2c2d 3738 332e 3435 2036  697.02,-783.45 6\n+000275f0: 3836 2e38 382c 2d37 3836 2e35 3220 3639  86.88,-786.52 69\n+00027600: 362e 3732 2c2d 3739 302e 3434 2036 3937  6.72,-790.44 697\n+00027610: 2e30 322c 2d37 3833 2e34 3522 2f3e 0a3c  .02,-783.45\"/>.<\n+00027620: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00027630: 7372 635f 7465 7374 7574 696c 7326 2334  src_testutils&#4\n+00027640: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00027650: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64  _gromacs_command\n+00027660: 6c69 6e65 202d 2d3e 0a3c 6720 6964 3d22  line -->.<g id=\"\n+00027670: 6564 6765 3236 3622 2063 6c61 7373 3d22  edge266\" class=\"\n+00027680: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00027690: 6475 6c65 5f73 7263 5f74 6573 7475 7469  dule_src_testuti\n+000276a0: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c  ls&#45;&gt;modul\n+000276b0: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n+000276c0: 6d6d 616e 646c 696e 653c 2f74 6974 6c65  mmandline</title\n+000276d0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+000276e0: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n+000276f0: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n+00027700: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n+00027710: 3235 3932 2e39 332c 2d38 3936 2e34 3743  2592.93,-896.47C\n+00027720: 3236 3039 2e32 362c 2d38 3735 2e32 3320  2609.26,-875.23 \n+00027730: 3236 3430 2c2d 3832 392e 3334 2032 3634  2640,-829.34 264\n+00027740: 302c 2d37 3834 2e38 3820 3236 3430 2c2d  0,-784.88 2640,-\n+00027750: 3738 342e 3838 2032 3634 302c 2d37 3834  784.88 2640,-784\n+00027760: 2e38 3820 3236 3430 2c2d 3430 352e 3636  .88 2640,-405.66\n+00027770: 2032 3634 302c 2d32 3335 2e39 3320 3235   2640,-235.93 25\n+00027780: 3230 2e33 382c 2d32 3037 2e37 2032 3336  20.38,-207.7 236\n+00027790: 342c 2d31 3431 2e37 3420 3233 3438 2e36  4,-141.74 2348.6\n+000277a0: 392c 2d31 3335 2e32 3820 3133 3138 2e37  9,-135.28 1318.7\n+000277b0: 392c 2d31 3033 2e33 3220 3130 3533 2e36  9,-103.32 1053.6\n+000277c0: 382c 2d39 352e 3139 222f 3e0a 3c70 6f6c  8,-95.19\"/>.<pol\n+000277d0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n+000277e0: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n+000277f0: 6663 6322 2070 6f69 6e74 733d 2231 3035  fcc\" points=\"105\n+00027800: 332e 3537 2c2d 3931 2e36 3820 3130 3433  3.57,-91.68 1043\n+00027810: 2e34 372c 2d39 342e 3838 2031 3035 332e  .47,-94.88 1053.\n+00027820: 3336 2c2d 3938 2e36 3820 3130 3533 2e35  36,-98.68 1053.5\n+00027830: 372c 2d39 312e 3638 222f 3e0a 3c2f 673e  7,-91.68\"/>.</g>\n+00027840: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00027850: 5f74 6573 7475 7469 6c73 2623 3435 3b26  _testutils&#45;&\n+00027860: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00027870: 6f6d 6163 735f 6f6e 6c69 6e65 6865 6c70  omacs_onlinehelp\n+00027880: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+00027890: 3236 3722 2063 6c61 7373 3d22 6564 6765  267\" class=\"edge\n+000278a0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+000278b0: 5f73 7263 5f74 6573 7475 7469 6c73 2623  _src_testutils&#\n+000278c0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+000278d0: 635f 6772 6f6d 6163 735f 6f6e 6c69 6e65  c_gromacs_online\n+000278e0: 6865 6c70 3c2f 7469 746c 653e 0a3c 7061  help</title>.<pa\n+000278f0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+00027900: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+00027910: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n+00027920: 3d22 352c 3222 2064 3d22 4d32 3630 332e  =\"5,2\" d=\"M2603.\n+00027930: 3338 2c2d 3839 382e 3443 3236 3336 2e31  38,-898.4C2636.1\n+00027940: 372c 2d38 3830 2e33 3520 3236 3937 2c2d  7,-880.35 2697,-\n+00027950: 3833 392e 3520 3236 3937 2c2d 3738 342e  839.5 2697,-784.\n+00027960: 3838 2032 3639 372c 2d37 3834 2e38 3820  88 2697,-784.88 \n+00027970: 3236 3937 2c2d 3738 342e 3838 2032 3639  2697,-784.88 269\n+00027980: 372c 2d31 3534 2e31 3820 3236 3937 2c2d  7,-154.18 2697,-\n+00027990: 3639 2e31 3620 3133 3330 2e36 382c 2d33  69.16 1330.68,-3\n+000279a0: 372e 3139 2031 3034 342e 3237 2c2d 3331  7.19 1044.27,-31\n+000279b0: 2e34 3322 2f3e 0a3c 706f 6c79 676f 6e20  .43\"/>.<polygon \n+000279c0: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n+000279d0: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+000279e0: 706f 696e 7473 3d22 3130 3434 2e32 312c  points=\"1044.21,\n+000279f0: 2d32 372e 3932 2031 3033 342e 3135 2c2d  -27.92 1034.15,-\n+00027a00: 3331 2e32 3220 3130 3434 2e30 372c 2d33  31.22 1044.07,-3\n+00027a10: 342e 3932 2031 3034 342e 3231 2c2d 3237  4.92 1044.21,-27\n+00027a20: 2e39 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .92\"/>.</g>.<!--\n+00027a30: 206d 6f64 756c 655f 7372 635f 7465 7374   module_src_test\n+00027a40: 7574 696c 7326 2334 353b 2667 743b 6d6f  utils&#45;&gt;mo\n+00027a50: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00027a60: 5f67 6d78 7072 6570 726f 6365 7373 202d  _gmxpreprocess -\n+00027a70: 2d3e 0a3c 6720 6964 3d22 6564 6765 3236  ->.<g id=\"edge26\n+00027a80: 3322 2063 6c61 7373 3d22 6564 6765 223e  3\" class=\"edge\">\n+00027a90: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00027aa0: 7263 5f74 6573 7475 7469 6c73 2623 3435  rc_testutils&#45\n+00027ab0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00027ac0: 6772 6f6d 6163 735f 676d 7870 7265 7072  gromacs_gmxprepr\n+00027ad0: 6f63 6573 733c 2f74 6974 6c65 3e0a 3c70  ocess</title>.<p\n+00027ae0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00027af0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00027b00: 2064 3d22 4d32 3539 322e 3933 2c2d 3932   d=\"M2592.93,-92\n+00027b10: 322e 3736 4332 3630 392e 3236 2c2d 3934  2.76C2609.26,-94\n+00027b20: 3420 3236 3430 2c2d 3938 392e 3839 2032  4 2640,-989.89 2\n+00027b30: 3634 302c 2d31 3033 342e 3336 2032 3634  640,-1034.36 264\n+00027b40: 302c 2d31 3039 392e 3233 2032 3634 302c  0,-1099.23 2640,\n+00027b50: 2d31 3039 392e 3233 2032 3634 302c 2d31  -1099.23 2640,-1\n+00027b60: 3039 392e 3233 2032 3634 302c 2d31 3133  099.23 2640,-113\n+00027b70: 342e 3335 2032 3634 332e 382c 2d31 3135  4.35 2643.8,-115\n+00027b80: 332e 3035 2032 3631 362c 2d31 3137 342e  3.05 2616,-1174.\n+00027b90: 3533 2032 3538 322e 3932 2c2d 3132 3030  53 2582.92,-1200\n+00027ba0: 2e30 3820 3139 3832 2e33 362c 2d31 3231  .08 1982.36,-121\n+00027bb0: 362e 3534 2031 3737 372e 3131 2c2d 3132  6.54 1777.11,-12\n+00027bc0: 3231 2e34 3322 2f3e 0a3c 706f 6c79 676f  21.43\"/>.<polygo\n+00027bd0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n+00027be0: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+00027bf0: 2220 706f 696e 7473 3d22 3137 3736 2e39  \" points=\"1776.9\n+00027c00: 372c 2d31 3231 372e 3934 2031 3736 372e  7,-1217.94 1767.\n+00027c10: 3036 2c2d 3132 3231 2e36 3720 3137 3737  06,-1221.67 1777\n+00027c20: 2e31 342c 2d31 3232 342e 3933 2031 3737  .14,-1224.93 177\n+00027c30: 362e 3937 2c2d 3132 3137 2e39 3422 2f3e  6.97,-1217.94\"/>\n+00027c40: 0a3c 2f67 3e0a 3c2f 673e 0a3c 2f73 7667  .</g>.</g>.</svg\n+00027c50: 3e0a                                     >.\n"}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/page_modulegraph.xhtml", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/page_modulegraph.xhtml", "unified_diff": "@@ -74,15 +74,15 @@\n </div><!-- top -->\n <div><div class=\"header\">\n   <div class=\"headertitle\"><div class=\"title\">Module dependency graph</div></div>\n </div><!--header-->\n <div class=\"contents\">\n <div class=\"textblock\"><p>The graph below shows the dependencies between the source code modules, computed from include statements in the code. For documented modules (those that do not have a gray background), clicking on the module takes you to the module documentation. Legend for the graph can be found below the graph.</p>\n <div class=\"dotgraph\">\n-<iframe scrolling=\"no\" frameborder=\"0\" src=\"dot_module-deps.svg\" width=\"3744\" height=\"1712\"><p><b>This browser is not able to show SVG: try Firefox, Chrome, Safari, or Opera instead.</b></p></iframe></div>\n+<iframe scrolling=\"no\" frameborder=\"0\" src=\"dot_module-deps.svg\" width=\"3759\" height=\"1796\"><p><b>This browser is not able to show SVG: try Firefox, Chrome, Safari, or Opera instead.</b></p></iframe></div>\n  <h1><a class=\"anchor\" id=\"autotoc_md49\"></a>\n Legend</h1>\n <p>The graph below annotates the colors and line styles used in the module dependency graph above. More detailed textual annotation is below the graph.</p>\n <div class=\"dotgraph\">\n <iframe scrolling=\"no\" frameborder=\"0\" src=\"dot_inline_dotgraph_2.svg\" width=\"440\" height=\"407\"><p><b>This browser is not able to show SVG: try Firefox, Chrome, Safari, or Opera instead.</b></p></iframe></div>\n <p>Node colors: </p><dl>\n <dt>gray background </dt>\n"}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_10.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_10.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -250,35 +250,35 @@\n     ['matches_155', ['matches', ['../structanonymous__namespace_02sm__keywords_8cpp_03_1_1t__methoddata__kwstr.xhtml#a48e93adae942c05a1cb87c10c8477345', 1, 'anonymous_namespace{sm_keywords.cpp}::t_methoddata_kwstr']]],\n     ['matchfullconfiguration_156', ['matchFullConfiguration', ['../classgmx_1_1test_1_1ConfMatch.xhtml#a539cc5f873f38eab1e92c7254eb4fe93', 1, 'gmx::test::ConfMatch']]],\n     ['matchtype_157', ['matchType', ['../structanonymous__namespace_02sm__keywords_8cpp_03_1_1t__methoddata__kwstr.xhtml#ae70c598952362cd86ea5a0ec0cfe9cf2', 1, 'anonymous_namespace{sm_keywords.cpp}::t_methoddata_kwstr']]],\n     ['math_20library_158', ['The SIMD math library', ['../page_simd.xhtml#autotoc_md70', 1, '']]],\n     ['matio_2ecpp_159', ['matio.cpp', ['../tests_2matio_8cpp.xhtml', 1, '']]],\n     ['matlam_160', ['matlam', ['../classgmx_1_1Lincs.xhtml#a3da2ad9c2aa9800de6a5a83868e90d92', 1, 'gmx::Lincs']]],\n     ['matrix_161', ['matrix', ['../structt__matrix.xhtml#a1a09d637a51e9e5b526ae840a182d9ee', 1, 't_matrix']]],\n-    ['matrix_2ecpp_162', ['matrix.cpp', ['../math_2tests_2matrix_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../math_2matrix_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['matrix_2ecpp_162', ['matrix.cpp', ['../math_2matrix_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../math_2tests_2matrix_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['matrix_2eh_163', ['matrix.h', ['../math_2include_2gromacs_2math_2matrix_8h.xhtml', 1, '']]],\n     ['matrix3x3_164', ['matrix3x3', ['../namespacegmx_1_1test.xhtml#abe16d8d44b085b584568a1f5b2e57f2f', 1, 'gmx::test::Matrix3x3'],\n         ['../namespacegmx.xhtml#a8065c9cfb460c40c3c2699c728ecd3f4', 1, 'gmx::Matrix3x3']\n     ]],\n     ['matrix3x3constspan_165', ['Matrix3x3ConstSpan', ['../namespacegmx.xhtml#a589179a4042893247bfe78e630ee381f', 1, 'gmx']]],\n     ['matrix3x3span_166', ['Matrix3x3Span', ['../namespacegmx.xhtml#a42b7945e249b8dd5a00cd733e679c2a9', 1, 'gmx']]],\n     ['matrix3x3tostring_167', ['Matrix3x3ToString', ['../structgmx_1_1test_1_1anonymous__namespace_02parrinellorahman_8cpp_03_1_1Matrix3x3ToString.xhtml', 1, 'gmx::test::anonymous_namespace{parrinellorahman.cpp}']]],\n     ['matrix_5f_168', ['matrix_', ['../structgmx_1_1MrcDensitySkewData.xhtml#a8341d52116450b5e201979b68356df03', 1, 'gmx::MrcDensitySkewData']]],\n     ['matrix_5fconvert_169', ['matrix_convert', ['../pbc_8cpp.xhtml#aec6c71950b4b9e1c90429eff68ea4168', 1, 'pbc.cpp']]],\n     ['matrixvectormultiply_170', ['matrixVectorMultiply', ['../namespacegmx.xhtml#a2f6cbfad1dad185c82ec9bee081833c5', 1, 'gmx']]],\n-    ['max_171', ['max', ['../classgmx_1_1ExponentialDistribution.xhtml#a5db77b73c9d84977cd6a1e93427abb6b', 1, 'gmx::ExponentialDistribution::max()'],\n+    ['max_171', ['max', ['../classgmx_1_1GammaDistribution.xhtml#af043df37641bf3c31adc4b46164ef94c', 1, 'gmx::GammaDistribution::max()'],\n         ['../structgmx_1_1BoundingBox_1_1Corner.xhtml#a41d9f565256e2af79951232a328ce054', 1, 'gmx::BoundingBox::Corner::max()'],\n-        ['../classgmx_1_1TabulatedNormalDistribution.xhtml#a445e2fab20c2f008fd972f5e96cd8b68', 1, 'gmx::TabulatedNormalDistribution::max()'],\n-        ['../classgmx_1_1GammaDistribution.xhtml#af043df37641bf3c31adc4b46164ef94c', 1, 'gmx::GammaDistribution::max()'],\n+        ['../classgmx_1_1ExponentialDistribution.xhtml#a5db77b73c9d84977cd6a1e93427abb6b', 1, 'gmx::ExponentialDistribution::max()'],\n+        ['../group__module__simd.xhtml#ga4edeef3c458f5c77cf3ceb80532a57ff', 1, 'gmx::max()'],\n         ['../classgmx_1_1NormalDistribution.xhtml#aba294339d0eec4d12a1019d24848f0b9', 1, 'gmx::NormalDistribution::max()'],\n+        ['../classgmx_1_1TabulatedNormalDistribution.xhtml#a445e2fab20c2f008fd972f5e96cd8b68', 1, 'gmx::TabulatedNormalDistribution::max()'],\n         ['../namespacegmx.xhtml#a16f6bf4a20b14262f28168596d5bb8b9', 1, 'gmx::max(double a, double b)'],\n         ['../namespacegmx.xhtml#a35c7b010fbd32f5424afa0de0c70db6f', 1, 'gmx::max(float a, float b)'],\n-        ['../group__module__simd.xhtml#ga4edeef3c458f5c77cf3ceb80532a57ff', 1, 'gmx::max(SimdFloat a, SimdFloat b)'],\n         ['../group__module__simd.xhtml#gaceb279f0a831efc0d8e6be7d96c9e6d2', 1, 'gmx::max(SimdDouble a, SimdDouble b)'],\n         ['../group__module__simd.xhtml#ga3c66081dde9666200461f364725a4085', 1, 'gmx::max(Simd4Float a, Simd4Float b)'],\n         ['../classgmx_1_1ThreeFry2x64General.xhtml#a747866a072cff89a20b8f58621ae4bc5', 1, 'gmx::ThreeFry2x64General::max()'],\n         ['../group__module__simd.xhtml#ga68bbfb58d0ab7d2362d0efde15c14ca3', 1, 'gmx::max(Simd4Double a, Simd4Double b)'],\n         ['../namespacegmx.xhtml#aa8475501c67be44a07c58f4aa43eed23', 1, 'gmx::max(const gmx::BasicVector&lt; float &gt; &amp;v1, const gmx::BasicVector&lt; float &gt; &amp;v2)'],\n         ['../classgmx_1_1UniformIntDistribution.xhtml#af3bf0caf1c448e8f298a0d2b60b34733', 1, 'gmx::UniformIntDistribution::max()'],\n         ['../classgmx_1_1UniformRealDistribution.xhtml#abf888030231e57e8c412cecd63f70f78', 1, 'gmx::UniformRealDistribution::max()']\n@@ -771,16 +771,16 @@\n     ['mrcdatamode_481', ['MrcDataMode', ['../namespacegmx.xhtml#a4355a7e0f393d42cbb5b2a47aefea966', 1, 'gmx']]],\n     ['mrcdatastatistics_482', ['MrcDataStatistics', ['../structgmx_1_1MrcDataStatistics.xhtml', 1, 'gmx']]],\n     ['mrcdensitymap_2ecpp_483', ['mrcdensitymap.cpp', ['../tests_2mrcdensitymap_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../mrcdensitymap_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['mrcdensitymap_2eh_484', ['mrcdensitymap.h', ['../mrcdensitymap_8h.xhtml', 1, '']]],\n     ['mrcdensitymapheader_485', ['MrcDensityMapHeader', ['../structgmx_1_1MrcDensityMapHeader.xhtml', 1, 'gmx']]],\n-    ['mrcdensitymapheader_2ecpp_486', ['mrcdensitymapheader.cpp', ['../tests_2mrcdensitymapheader_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../mrcdensitymapheader_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['mrcdensitymapheader_2ecpp_486', ['mrcdensitymapheader.cpp', ['../mrcdensitymapheader_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2mrcdensitymapheader_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['mrcdensitymapheader_2eh_487', ['mrcdensitymapheader.h', ['../mrcdensitymapheader_8h.xhtml', 1, '']]],\n     ['mrcdensitymapoffloatfromfilereader_488', ['mrcdensitymapoffloatfromfilereader', ['../classgmx_1_1MrcDensityMapOfFloatFromFileReader.xhtml#a5e4d0693919c91334eed2bd9942470bc', 1, 'gmx::MrcDensityMapOfFloatFromFileReader::MrcDensityMapOfFloatFromFileReader()'],\n         ['../classgmx_1_1MrcDensityMapOfFloatFromFileReader.xhtml', 1, 'gmx::MrcDensityMapOfFloatFromFileReader']\n     ]],\n     ['mrcdensitymapoffloatreader_489', ['mrcdensitymapoffloatreader', ['../classgmx_1_1MrcDensityMapOfFloatReader.xhtml#aa968d4e30f192514e635552e9492aad8', 1, 'gmx::MrcDensityMapOfFloatReader::MrcDensityMapOfFloatReader()'],\n         ['../classgmx_1_1MrcDensityMapOfFloatReader.xhtml', 1, 'gmx::MrcDensityMapOfFloatReader']\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_11.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_11.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -335,19 +335,19 @@\n     ['newhistogramsize_222', ['newHistogramSize', ['../classgmx_1_1HistogramSize.xhtml#a0841126e946757a56510a5412548efa3', 1, 'gmx::HistogramSize']]],\n     ['newsimulation_223', ['NewSimulation', ['../namespacegmx.xhtml#acae779a4433c059b8816709407cd27b3a346169ead23d39c22768fa2c3510aaea', 1, 'gmx']]],\n     ['newsystemcenter_224', ['NewSystemCenter', ['../group__module__coordinateio.xhtml#ggae520b2721d9d5166e7c015b2654bd1d9a8094e4520894dd8af304ba04684cd6b7', 1, 'gmx']]],\n     ['newx_225', ['newx', ['../structMoleculePatch.xhtml#ab1a814fc2f62b8d5680f35c4d6ad1dd9', 1, 'MoleculePatch']]],\n     ['nex_226', ['nex', ['../structgmx__repl__ex.xhtml#ab5c0bdf0ec427dd6f3423b400d5dc4c4', 1, 'gmx_repl_ex']]],\n     ['nexchange_227', ['nexchange', ['../structgmx__repl__ex.xhtml#a446715d4e598142c737560359e6cf405', 1, 'gmx_repl_ex']]],\n     ['nexpsel_228', ['nexpsel', ['../structgmx__sel__lexer__t.xhtml#a5695b1b723a0613de0aed182033788bf', 1, 'gmx_sel_lexer_t']]],\n-    ['next_229', ['next', ['../structgmx__fft__fftpack.xhtml#a17ec9a27f31d3ba60a14e930f20ca280', 1, 'gmx_fft_fftpack::next'],\n-        ['../structgmx_1_1detail_1_1extents__analyse_3_01R_00_01E0_00_01StaticExtents_8_8_8_01_4.xhtml#a9af19753b4749ebb287aecd5141df0d1', 1, 'gmx::detail::extents_analyse&lt; R, E0, StaticExtents... &gt;::next'],\n+    ['next_229', ['next', ['../structgmx_1_1detail_1_1extents__analyse_3_01R_00_01E0_00_01StaticExtents_8_8_8_01_4.xhtml#a9af19753b4749ebb287aecd5141df0d1', 1, 'gmx::detail::extents_analyse&lt; R, E0, StaticExtents... &gt;::next'],\n         ['../structgmx_1_1detail_1_1extents__analyse_3_01R_00_01dynamic__extent_00_01StaticExtents_8_8_8_01_4.xhtml#a1bad4b0bda364b2dc302abe4607512a0', 1, 'gmx::detail::extents_analyse&lt; R, dynamic_extent, StaticExtents... &gt;::next'],\n         ['../structgmx__ana__poscalc__t.xhtml#a5f3be05793cf0ea48f549894f8fe6fa6', 1, 'gmx_ana_poscalc_t::next'],\n         ['../classgmx_1_1SelectionTreeElement.xhtml#a9fdde6f3d324aebbb90c4e12e9645485', 1, 'gmx::SelectionTreeElement::next'],\n+        ['../structgmx__fft__fftpack.xhtml#a17ec9a27f31d3ba60a14e930f20ca280', 1, 'gmx_fft_fftpack::next'],\n         ['../structt__symbuf.xhtml#ab0c492ccab37bb7c8315b7430b7aaa27', 1, 't_symbuf::next']\n     ]],\n     ['next_5fextents_5fanalyse_230', ['next_extents_analyse', ['../structgmx_1_1detail_1_1extents__analyse_3_01R_00_01E0_00_01StaticExtents_8_8_8_01_4.xhtml#a7e57e8e7bd9b182d5ff296e8fb9b7cf8', 1, 'gmx::detail::extents_analyse&lt; R, E0, StaticExtents... &gt;::next_extents_analyse'],\n         ['../structgmx_1_1detail_1_1extents__analyse_3_01R_00_01dynamic__extent_00_01StaticExtents_8_8_8_01_4.xhtml#ab70f7a0a4920340f3f09f9e8eb3d5c29', 1, 'gmx::detail::extents_analyse&lt; R, dynamic_extent, StaticExtents... &gt;::next_extents_analyse']\n     ]],\n     ['next_5fgroup_5findex_231', ['next_group_index', ['../group__module__selection.xhtml#ga721068c6fc50538dc245b27a8c6cf958', 1, 'indexutil.cpp']]],\n     ['next_5ftype_232', ['next_type', ['../structgmx_1_1BuildMDModulesNotifier_3_01CurrentCallParameter_00_01CallParameter_8_8_8_01_4.xhtml#a0555d4d7fc3b4b54776a84f962bacef7', 1, 'gmx::BuildMDModulesNotifier&lt; CurrentCallParameter, CallParameter... &gt;']]],\n@@ -365,28 +365,28 @@\n     ['nfile_244', ['NFILE', ['../gmx__wham_8cpp.xhtml#a8485f4e81de2537e6a0935626167a775', 1, 'gmx_wham.cpp']]],\n     ['nfile_5f_245', ['nFile_', ['../classgmx_1_1LegacySimulatorData.xhtml#aa52febb5287e6fc6e872816c13efbd3f', 1, 'gmx::LegacySimulatorData']]],\n     ['nforces_246', ['nforces', ['../classgmx_1_1ImdSession_1_1Impl.xhtml#ab24e67665d5044ffe1cb14fbd9dcfb56', 1, 'gmx::ImdSession::Impl']]],\n     ['nfp_5fffn_247', ['nfp_ffn', ['../expfit_8cpp.xhtml#a0381a3f406e1b936be009fb50c833804', 1, 'expfit.cpp']]],\n     ['ngrids_248', ['ngrids', ['../structPmeShared.xhtml#a7ec2b0b4a29f93f872dfc8744ebbcca5', 1, 'PmeShared']]],\n     ['ngroup_249', ['ngroup', ['../structt__pullcoord.xhtml#a833f7309760f611835ffa1e255bf82ec', 1, 't_pullcoord']]],\n     ['ngrp_250', ['ngrp', ['../structt__swap.xhtml#a2d99dab548bfeee6abab00b39559a779', 1, 't_swap']]],\n-    ['ngtc_251', ['ngtc', ['../structCheckpointHeaderContents.xhtml#af6ace003545922285e2a3384dd377cc2', 1, 'CheckpointHeaderContents::ngtc'],\n+    ['ngtc_251', ['ngtc', ['../structTpxFileHeader.xhtml#ac07dd4af0bce2c2f18a936069fd8628e', 1, 'TpxFileHeader::ngtc'],\n         ['../classt__state.xhtml#ade0c0efd154b1336530f2f049782f12b', 1, 't_state::ngtc'],\n-        ['../structTpxFileHeader.xhtml#ac07dd4af0bce2c2f18a936069fd8628e', 1, 'TpxFileHeader::ngtc']\n+        ['../structCheckpointHeaderContents.xhtml#af6ace003545922285e2a3384dd377cc2', 1, 'CheckpointHeaderContents::ngtc']\n     ]],\n     ['nhack_252', ['nhack', ['../structMoleculePatchDatabase.xhtml#a37eec684265604eb63c24e9cfa5bd2fb', 1, 'MoleculePatchDatabase']]],\n     ['nhchainlength_253', ['nhchainlength', ['../classt__state.xhtml#a62aa2af58d908ef31d7c2cccfb481ee1', 1, 't_state::nhchainlength'],\n         ['../structCheckpointHeaderContents.xhtml#a088d5470c6f8108623a673b796c823d9', 1, 'CheckpointHeaderContents::nhchainlength']\n     ]],\n     ['nhcusage_254', ['NhcUsage', ['../namespacegmx.xhtml#ac8f59b82a88d690750974cad2ecb2d4d', 1, 'gmx']]],\n-    ['nhpres_5fvxi_255', ['nhpres_vxi', ['../classt__state.xhtml#aad9a0d825da2388a15eaef5addeba9ad', 1, 't_state::nhpres_vxi'],\n-        ['../structgmx_1_1PTCouplingArrays.xhtml#a0e8319265b9eb8226594a7bd6492a676', 1, 'gmx::PTCouplingArrays::nhpres_vxi']\n+    ['nhpres_5fvxi_255', ['nhpres_vxi', ['../structgmx_1_1PTCouplingArrays.xhtml#a0e8319265b9eb8226594a7bd6492a676', 1, 'gmx::PTCouplingArrays::nhpres_vxi'],\n+        ['../classt__state.xhtml#aad9a0d825da2388a15eaef5addeba9ad', 1, 't_state::nhpres_vxi']\n     ]],\n-    ['nhpres_5fxi_256', ['nhpres_xi', ['../structgmx_1_1PTCouplingArrays.xhtml#a62b4ab2b4bc6e4eb572ac6a9f3d9b48a', 1, 'gmx::PTCouplingArrays::nhpres_xi'],\n-        ['../classt__state.xhtml#aad70ff9fb16e28b424c2b817618409d0', 1, 't_state::nhpres_xi']\n+    ['nhpres_5fxi_256', ['nhpres_xi', ['../classt__state.xhtml#aad70ff9fb16e28b424c2b817618409d0', 1, 't_state::nhpres_xi'],\n+        ['../structgmx_1_1PTCouplingArrays.xhtml#a62b4ab2b4bc6e4eb572ac6a9f3d9b48a', 1, 'gmx::PTCouplingArrays::nhpres_xi']\n     ]],\n     ['nhx_257', ['nhx', ['../structt__bb.xhtml#a21cae00a89fd32fdfbaf293490545373', 1, 't_bb']]],\n     ['nhydrogens_258', ['nHydrogens', ['../structVirtualSiteConfiguration.xhtml#a1bb9b56fb2933b0895d9e5c836434fe4', 1, 'VirtualSiteConfiguration']]],\n     ['niceheader_259', ['niceHeader', ['../namespacegmx.xhtml#a7ffeb99198d2e37e902971b17a673a47', 1, 'gmx']]],\n     ['niceheader_2ecpp_260', ['niceheader.cpp', ['../niceheader_8cpp.xhtml', 1, '']]],\n     ['niceheader_2eh_261', ['niceheader.h', ['../niceheader_8h.xhtml', 1, '']]],\n     ['nicelevel_262', ['niceLevel', ['../classgmx_1_1CommandLineCommonOptionsHolder.xhtml#ae401a78d576830753b20012c99eee3af', 1, 'gmx::CommandLineCommonOptionsHolder']]],\n@@ -408,29 +408,29 @@\n     ['nmolpast_272', ['nMolPast', ['../structswap__compartment.xhtml#ae7d83b4eb0caa3600d29b02c66018c75', 1, 'swap_compartment']]],\n     ['nmolreq_273', ['nMolReq', ['../structswap__compartment.xhtml#a7a969f28baf7c47c1a1c585efb67d042', 1, 'swap_compartment']]],\n     ['nmoves_274', ['nmoves', ['../structgmx__repl__ex.xhtml#ac8dd9c7860121f300cbe0e223a6be35c', 1, 'gmx_repl_ex']]],\n     ['nmtomrcunits_275', ['nmToMrcUnits', ['../namespacegmx_1_1anonymous__namespace_02mrcserializer_8cpp_03.xhtml#a526bc78791409ce07ebfe4efc7623802', 1, 'gmx::anonymous_namespace{mrcserializer.cpp}']]],\n     ['nn_276', ['nn', ['../structPmeShared.xhtml#af90553b49f49f598835c9681c8746a8d', 1, 'PmeShared']]],\n     ['nname_277', ['nname', ['../structMoleculePatch.xhtml#a242596f9e718d07894ab32198720544d', 1, 'MoleculePatch']]],\n     ['nnext_278', ['Nnext', ['../structt__bb.xhtml#ad223cd6a59d5e077cc565766f6f237f5', 1, 't_bb']]],\n-    ['nnhpres_279', ['nnhpres', ['../structCheckpointHeaderContents.xhtml#adc4e78ec35c4403710adac94141a33fa', 1, 'CheckpointHeaderContents::nnhpres'],\n-        ['../classt__state.xhtml#a554d8189a9b63e016efb91957509e623', 1, 't_state::nnhpres']\n+    ['nnhpres_279', ['nnhpres', ['../classt__state.xhtml#a554d8189a9b63e016efb91957509e623', 1, 't_state::nnhpres'],\n+        ['../structCheckpointHeaderContents.xhtml#adc4e78ec35c4403710adac94141a33fa', 1, 'CheckpointHeaderContents::nnhpres']\n     ]],\n-    ['nnodes_280', ['nnodes', ['../structCheckpointHeaderContents.xhtml#a6b8fa08267c339a937cb223d6b59f22f', 1, 'CheckpointHeaderContents::nnodes'],\n-        ['../structPmeShared.xhtml#a9a07e823867d654212cdf520e2538121', 1, 'PmeShared::nnodes']\n+    ['nnodes_280', ['nnodes', ['../structPmeShared.xhtml#a9a07e823867d654212cdf520e2538121', 1, 'PmeShared::nnodes'],\n+        ['../structCheckpointHeaderContents.xhtml#a6b8fa08267c339a937cb223d6b59f22f', 1, 'CheckpointHeaderContents::nnodes']\n     ]],\n     ['nnodesx_281', ['nnodesX', ['../structPmeShared.xhtml#a8452479239784ced7afff1e051830952', 1, 'PmeShared']]],\n     ['nnodesy_282', ['nnodesY', ['../structPmeShared.xhtml#a37add1a0f09eb17756daf2c246a87cb8', 1, 'PmeShared']]],\n-    ['nnpot_2ecpp_283', ['nnpot.cpp', ['../nnpot_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2nnpot_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['nnpot_2ecpp_283', ['nnpot.cpp', ['../tests_2nnpot_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../nnpot_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['nnpot_2eh_284', ['nnpot.h', ['../nnpot_8h.xhtml', 1, '']]],\n     ['nnpotforceprovider_285', ['NNPotForceProvider', ['../classgmx_1_1NNPotForceProvider.xhtml', 1, 'gmx']]],\n-    ['nnpotforceprovider_2ecpp_286', ['nnpotforceprovider.cpp', ['../tests_2nnpotforceprovider_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../nnpotforceprovider_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['nnpotforceprovider_2ecpp_286', ['nnpotforceprovider.cpp', ['../nnpotforceprovider_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2nnpotforceprovider_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['nnpotforceprovider_2eh_287', ['nnpotforceprovider.h', ['../nnpotforceprovider_8h.xhtml', 1, '']]],\n     ['nnpotforceprovider_5fstub_2ecpp_288', ['nnpotforceprovider_stub.cpp', ['../nnpotforceprovider__stub_8cpp.xhtml', 1, '']]],\n     ['nnpotmdmodule_289', ['NNPotMDModule', ['../classgmx_1_1anonymous__namespace_02nnpot_8cpp_03_1_1NNPotMDModule.xhtml', 1, 'gmx::anonymous_namespace{nnpot.cpp}']]],\n     ['nnpotmdptransformfromstring_290', ['NNPotMdpTransformFromString', ['../namespacegmx.xhtml#a965719fa61deaf0dcfcf8903463e243d', 1, 'gmx']]],\n     ['nnpotmodel_2eh_291', ['nnpotmodel.h', ['../nnpotmodel_8h.xhtml', 1, '']]],\n     ['nnpotmoduleinfo_292', ['NNPotModuleInfo', ['../structgmx_1_1NNPotModuleInfo.xhtml', 1, 'gmx']]],\n@@ -438,32 +438,32 @@\n         ['../tests_2nnpotoptions_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['nnpotoptions_2eh_294', ['nnpotoptions.h', ['../nnpotoptions_8h.xhtml', 1, '']]],\n     ['nnpotparameters_295', ['NNPotParameters', ['../structgmx_1_1NNPotParameters.xhtml', 1, 'gmx']]],\n     ['nnpottopologypreprocessor_296', ['nnpottopologypreprocessor', ['../classgmx_1_1NNPotTopologyPreprocessor.xhtml#afb131c39ea21535f2f145444d8dbfc5e', 1, 'gmx::NNPotTopologyPreprocessor::NNPotTopologyPreprocessor()'],\n         ['../classgmx_1_1NNPotTopologyPreprocessor.xhtml', 1, 'gmx::NNPotTopologyPreprocessor']\n     ]],\n-    ['nnpottopologypreprocessor_2ecpp_297', ['nnpottopologypreprocessor.cpp', ['../tests_2nnpottopologypreprocessor_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../nnpottopologypreprocessor_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['nnpottopologypreprocessor_2ecpp_297', ['nnpottopologypreprocessor.cpp', ['../nnpottopologypreprocessor_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2nnpottopologypreprocessor_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['nnpottopologypreprocessor_2eh_298', ['nnpottopologypreprocessor.h', ['../nnpottopologypreprocessor_8h.xhtml', 1, '']]],\n     ['nnpottopologypreprocessortest_299', ['NNPotTopologyPreprocessorTest', ['../classgmx_1_1test_1_1NNPotTopologyPreprocessorTest.xhtml', 1, 'gmx::test']]],\n     ['nnstl_300', ['NNSTL', ['../pairlist__tuning_8cpp.xhtml#aa7bb25f96f0e989b4b7c45d407a1b63c', 1, 'pairlist_tuning.cpp']]],\n-    ['no_301', ['no', ['../dlbtiming_8h.xhtml#a4c394e83d3a1d89ac14e90553e54dff4a7fa3b767c460b54a2be4d49030b349c7', 1, 'no:&#160;dlbtiming.h'],\n-        ['../namespacegmx.xhtml#a65a4da1c9de2e9bed752f8b8a3f9f536abafd7322c6e97d25b6299b5d6fe8920b', 1, 'gmx::No'],\n-        ['../group__module__modularsimulator.xhtml#gga5c5a9708579f420d64688aaea88c2885abafd7322c6e97d25b6299b5d6fe8920b', 1, 'gmx::No'],\n-        ['../namespacegmx.xhtml#ab1684f724061fbe3bfdd1efde3e715e7abafd7322c6e97d25b6299b5d6fe8920b', 1, 'gmx::No'],\n-        ['../namespacegmx.xhtml#abb4f062823c006fc233c4b4bcb0119ecabafd7322c6e97d25b6299b5d6fe8920b', 1, 'gmx::No'],\n-        ['../md__enums_8h.xhtml#ab1fce6aba35ca024e1ac818bdf1d5d15abafd7322c6e97d25b6299b5d6fe8920b', 1, 'No:&#160;md_enums.h'],\n+    ['no_301', ['no', ['../md__enums_8h.xhtml#ab1fce6aba35ca024e1ac818bdf1d5d15abafd7322c6e97d25b6299b5d6fe8920b', 1, 'No:&#160;md_enums.h'],\n         ['../md__enums_8h.xhtml#a4434e158af47f6a5cbc228465ade1511abafd7322c6e97d25b6299b5d6fe8920b', 1, 'No:&#160;md_enums.h'],\n         ['../md__enums_8h.xhtml#a07be3f2d86a9b6337ff8c4853a0fb8b8abafd7322c6e97d25b6299b5d6fe8920b', 1, 'No:&#160;md_enums.h'],\n         ['../md__enums_8h.xhtml#a7f23540ff5222f8735be151f3cbd1b2fabafd7322c6e97d25b6299b5d6fe8920b', 1, 'No:&#160;md_enums.h'],\n         ['../md__enums_8h.xhtml#a1df3eedfba9424ae3e518284a453d95cabafd7322c6e97d25b6299b5d6fe8920b', 1, 'No:&#160;md_enums.h'],\n+        ['../dlbtiming_8h.xhtml#a4c394e83d3a1d89ac14e90553e54dff4a7fa3b767c460b54a2be4d49030b349c7', 1, 'no:&#160;dlbtiming.h'],\n         ['../dlbtiming_8h.xhtml#a187697058dfa34f355e4ee2e8fcf1dc1a7fa3b767c460b54a2be4d49030b349c7', 1, 'no:&#160;dlbtiming.h'],\n         ['../namespacegmx.xhtml#af2ca01657023e02580baaaf0c011a60ca7fa3b767c460b54a2be4d49030b349c7', 1, 'gmx::no'],\n+        ['../namespacegmx.xhtml#abb4f062823c006fc233c4b4bcb0119ecabafd7322c6e97d25b6299b5d6fe8920b', 1, 'gmx::No'],\n+        ['../namespacegmx.xhtml#ab1684f724061fbe3bfdd1efde3e715e7abafd7322c6e97d25b6299b5d6fe8920b', 1, 'gmx::No'],\n+        ['../group__module__modularsimulator.xhtml#gga5c5a9708579f420d64688aaea88c2885abafd7322c6e97d25b6299b5d6fe8920b', 1, 'gmx::No'],\n+        ['../namespacegmx.xhtml#a65a4da1c9de2e9bed752f8b8a3f9f536abafd7322c6e97d25b6299b5d6fe8920b', 1, 'gmx::No'],\n         ['../classgmx_1_1Bias.xhtml#aa82610508a501aa57b8b5be5054920f2abafd7322c6e97d25b6299b5d6fe8920b', 1, 'gmx::Bias::No'],\n         ['../classgmx_1_1BiasParams.xhtml#a6e4efe51c269090a20241639f64bcb03a7fa3b767c460b54a2be4d49030b349c7', 1, 'gmx::BiasParams::no']\n     ]],\n     ['no_5fdelete_302', ['no_delete', ['../structgmx_1_1no__delete.xhtml', 1, 'gmx']]],\n     ['no_5fvalue_303', ['NO_VALUE', ['../selvalue_8h.xhtml#a70b42b87d434580bf1493591857b8beca4d694119ce83b62d74ff06b5e017dca8', 1, 'selvalue.h']]],\n     ['noappending_304', ['NoAppending', ['../namespacegmx.xhtml#afd6f3326407d61e4364f4bfeeebe5f03a95924eff082d0bc6529c77794edce7c8', 1, 'gmx']]],\n     ['nocallparameter_305', ['NoCallParameter', ['../classgmx_1_1BuildMDModulesNotifier_3_4_1_1NoCallParameter.xhtml', 1, 'gmx::BuildMDModulesNotifier&lt;&gt;']]],\n@@ -474,54 +474,54 @@\n     ['nodelete_2eh_310', ['nodelete.h', ['../nodelete_8h.xhtml', 1, '']]],\n     ['nodes_311', ['nodes', ['../structgmx_1_1HardwareTopology_1_1Numa.xhtml#a09d015a6bc89da23f7152cbc5495a460', 1, 'gmx::HardwareTopology::Numa']]],\n     ['noguarantee_312', ['NoGuarantee', ['../group__module__coordinateio.xhtml#ggae520b2721d9d5166e7c015b2654bd1d9ab1f3d3b15c2fba228004f1fbda97ad53', 1, 'gmx']]],\n     ['non_20bonded_20algorithm_313', ['The NxM atom-cluster non-bonded algorithm', ['../page_nbnxm.xhtml', 1, 'index']]],\n     ['non_20bonded_20interaction_20module_314', ['Short-range non-bonded interaction module', ['../group______module__nbnxm.xhtml', 1, '']]],\n     ['non_20bonded_20pair_20interactions_315', ['Non-bonded pair interactions', ['../group__module__nbnxm.xhtml', 1, '']]],\n     ['non_20mdp_20option_20module_20parameters_316', ['Storing non-mdp option module parameters', ['../page_mdmodules.xhtml#autotoc_md7', 1, '']]],\n-    ['nonbonded_317', ['nonbonded', ['../namespacegmx.xhtml#a6efc2e8f104eb3699bc82c2b8984cedba661e23745453f323614a6316657bcbde', 1, 'gmx::Nonbonded'],\n-        ['../namespacegmx.xhtml#ad4174b02d2bfb10e8538d4844ecc6f81a661e23745453f323614a6316657bcbde', 1, 'gmx::Nonbonded']\n+    ['nonbonded_317', ['nonbonded', ['../namespacegmx.xhtml#ad4174b02d2bfb10e8538d4844ecc6f81a661e23745453f323614a6316657bcbde', 1, 'gmx::Nonbonded'],\n+        ['../namespacegmx.xhtml#a6efc2e8f104eb3699bc82c2b8984cedba661e23745453f323614a6316657bcbde', 1, 'gmx::Nonbonded']\n     ]],\n-    ['nonbonded_5fbench_2ecpp_318', ['nonbonded_bench.cpp', ['../tests_2nonbonded__bench_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../nonbonded__bench_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['nonbonded_5fbench_2ecpp_318', ['nonbonded_bench.cpp', ['../nonbonded__bench_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2nonbonded__bench_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['nonbonded_5fbench_2eh_319', ['nonbonded_bench.h', ['../nonbonded__bench_8h.xhtml', 1, '']]],\n     ['nonbonded_5fverlet_5ft_320', ['nonbonded_verlet_t', ['../structgmx_1_1nonbonded__verlet__t.xhtml#ab52ad7395380f5bd86727743c6d916a5', 1, 'gmx::nonbonded_verlet_t::nonbonded_verlet_t(std::unique_ptr&lt; PairlistSets &gt; pairlistSets, std::unique_ptr&lt; PairSearch &gt; pairSearch, std::unique_ptr&lt; nbnxn_atomdata_t &gt; nbat, const NbnxmKernelSetup &amp;kernelSetup, std::unique_ptr&lt; ExclusionChecker &gt; exclusionChecker, NbnxmGpu *gpu_nbv, gmx_wallcycle *wcycle)'],\n         ['../structgmx_1_1nonbonded__verlet__t.xhtml#a674a2426156a932ffe11dea93d5d70bf', 1, 'gmx::nonbonded_verlet_t::nonbonded_verlet_t(std::unique_ptr&lt; PairlistSets &gt; pairlistSets, std::unique_ptr&lt; PairSearch &gt; pairSearch, std::unique_ptr&lt; nbnxn_atomdata_t &gt; nbat, const NbnxmKernelSetup &amp;kernelSetup, NbnxmGpu *gpu_nbv)'],\n         ['../structgmx_1_1nonbonded__verlet__t.xhtml', 1, 'gmx::nonbonded_verlet_t']\n     ]],\n     ['nonbondedbenchmarkinfo_321', ['NonbondedBenchmarkInfo', ['../classgmx_1_1NonbondedBenchmarkInfo.xhtml', 1, 'gmx']]],\n     ['nonbondedlocal_322', ['NonBondedLocal', ['../namespacegmx.xhtml#a90e1f148d98685136b343e0a20d3c2e5a3ea7f7004c07ba95687a12c5fde296db', 1, 'gmx']]],\n     ['nonbondedmtsfactor_323', ['nonbondedMtsFactor', ['../namespacegmx.xhtml#a8b1859c2d84c94adb221d405d7f26e54', 1, 'gmx']]],\n     ['nonbondednonlocal_324', ['NonBondedNonLocal', ['../namespacegmx.xhtml#a90e1f148d98685136b343e0a20d3c2e5a514d9d9bc74e877370a078b25d966bc0', 1, 'gmx']]],\n     ['nonbondedparameters_325', ['nonbondedparameters', ['../structgmx_1_1BenchmarkSystem.xhtml#ad4da57348255f1295f97f81d0837cb1b', 1, 'gmx::BenchmarkSystem::nonbondedParameters'],\n         ['../structgmx_1_1test_1_1TestSystem.xhtml#a57bbbdd0b8f33b25e420c00d03ee7c22', 1, 'gmx::test::TestSystem::nonbondedParameters']\n     ]],\n     ['nonbondedresource_326', ['NonbondedResource', ['../namespacegmx.xhtml#a79c63f3fd301eadebd70b9067aa95b39', 1, 'gmx']]],\n-    ['none_327', ['none', ['../classgmx_1_1CpuInfo.xhtml#a07f2b126c9ee81ac1577b49b18b0bed6a6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::CpuInfo::None'],\n-        ['../classgmx_1_1HardwareTopology.xhtml#aa94ffc2c936d76ba16f1938f449cfaa8a6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::HardwareTopology::None'],\n-        ['../classgmx_1_1VirtualSitesHandler.xhtml#a9bc9f8f9c0f9558d09bf4b5ed0273e3ba6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::VirtualSitesHandler::None'],\n+    ['none_327', ['none', ['../group__module__modularsimulator.xhtml#gga5e92a2f6b08c68771eee6ce70555360aa6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::None'],\n         ['../namespacegmx.xhtml#aab37976982b986b87613d521381fcb6aa334c4a4c42fdb79d7ebc3e73b517e6f8', 1, 'gmx::none'],\n-        ['../classgmx_1_1PositionCalculationCollection.xhtml#ab93a6e3b6536da328578b42a5cec1f53a6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::PositionCalculationCollection::None'],\n-        ['../classgmx_1_1SelectionCollection_1_1Impl.xhtml#a2b56c1edc3a7dd352db9cf7bc94673d7a6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::SelectionCollection::Impl::None'],\n+        ['../namespacegmx.xhtml#af1f7daca823e181e6a313739b0860e71a6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::None'],\n         ['../namespacegmx.xhtml#aaaed6baed6b584b4f61ce887ea41ea3da6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::None'],\n+        ['../classgmx_1_1SelectionCollection_1_1Impl.xhtml#a2b56c1edc3a7dd352db9cf7bc94673d7a6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::SelectionCollection::Impl::None'],\n+        ['../classgmx_1_1PositionCalculationCollection.xhtml#ab93a6e3b6536da328578b42a5cec1f53a6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::PositionCalculationCollection::None'],\n+        ['../classgmx_1_1VirtualSitesHandler.xhtml#a9bc9f8f9c0f9558d09bf4b5ed0273e3ba6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::VirtualSitesHandler::None'],\n+        ['../classgmx_1_1HardwareTopology.xhtml#aa94ffc2c936d76ba16f1938f449cfaa8a6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::HardwareTopology::None'],\n+        ['../classgmx_1_1CpuInfo.xhtml#a07f2b126c9ee81ac1577b49b18b0bed6a6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::CpuInfo::None'],\n         ['../namespacegmx.xhtml#a35a656f58d79c7258c8b6e0141bd440ba6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::None'],\n-        ['../namespacegmx.xhtml#af1f7daca823e181e6a313739b0860e71a6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::None'],\n+        ['../group__module__modularsimulator.xhtml#gga7c3572ad84e8f86df4c131e95518c058a6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::None'],\n         ['../namespaceanonymous__namespace_02edsam_8cpp_03.xhtml#aa2d5ea43ccd104c8b0f1f2e7b8cad0c4a6adf97f83acf6453d4a6a4b1070f3754', 1, 'anonymous_namespace{edsam.cpp}::None'],\n         ['../pme_8h.xhtml#adc082ed1af9a4868af13352373ed3791a6adf97f83acf6453d4a6a4b1070f3754', 1, 'None:&#160;pme.h'],\n         ['../namespacegmx.xhtml#aa9e7df55e017bd726d027d65551bbd0ca6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::None'],\n         ['../namespacegmx.xhtml#abab20f57d9df210c6b3f6384c54f7212a6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::None'],\n-        ['../namespacegmx.xhtml#a63cf11bdf7c50436e7a754d50689f362a6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::None'],\n-        ['../group__module__modularsimulator.xhtml#gga7c3572ad84e8f86df4c131e95518c058a6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::None'],\n-        ['../group__module__modularsimulator.xhtml#gga5e92a2f6b08c68771eee6ce70555360aa6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::None']\n+        ['../namespacegmx.xhtml#a63cf11bdf7c50436e7a754d50689f362a6adf97f83acf6453d4a6a4b1070f3754', 1, 'gmx::None']\n     ]],\n     ['nonexistent_328', ['Nonexistent', ['../device__information_8h.xhtml#a0b85af2bfbb9599409b639e98717c888a4ae5e9809862b352a35922a5bcb1bdf3', 1, 'device_information.h']]],\n     ['nonfunctional_329', ['NonFunctional', ['../device__information_8h.xhtml#a0b85af2bfbb9599409b639e98717c888a836c1376187303303ffb10b26f2a4422', 1, 'device_information.h']]],\n-    ['nonlinear_330', ['nonlinear', ['../classgmx_1_1VirtualSitesHandler.xhtml#a9bc9f8f9c0f9558d09bf4b5ed0273e3ba47e3d35ab4249db25f1467971d8aba21', 1, 'gmx::VirtualSitesHandler::NonLinear'],\n-        ['../namespacegmx.xhtml#a63cf11bdf7c50436e7a754d50689f362a47e3d35ab4249db25f1467971d8aba21', 1, 'gmx::NonLinear']\n+    ['nonlinear_330', ['nonlinear', ['../namespacegmx.xhtml#a63cf11bdf7c50436e7a754d50689f362a47e3d35ab4249db25f1467971d8aba21', 1, 'gmx::NonLinear'],\n+        ['../classgmx_1_1VirtualSitesHandler.xhtml#a9bc9f8f9c0f9558d09bf4b5ed0273e3ba47e3d35ab4249db25f1467971d8aba21', 1, 'gmx::VirtualSitesHandler::NonLinear']\n     ]],\n     ['nonlocal_331', ['nonlocal', ['../namespacegmx.xhtml#a84de1dccdfb142b80c42b0b19f8c6548aedf6f2af1e5ce85c8f9ff667192169d0', 1, 'gmx::NonLocal'],\n         ['../namespacegmx.xhtml#a8593d10460a38e0d418692d63f962521aedf6f2af1e5ce85c8f9ff667192169d0', 1, 'gmx::NonLocal']\n     ]],\n     ['nonlocal_5fdone_332', ['nonlocal_done', ['../structgmx_1_1NbnxmGpu.xhtml#a7f52cddc739847d1f0177e5200e8ab22', 1, 'gmx::NbnxmGpu']]],\n     ['nooptionaloutput_333', ['NoOptionalOutput', ['../classgmx_1_1test_1_1NoOptionalOutput.xhtml', 1, 'gmx::test']]],\n     ['nopbcjumps_334', ['NoPBCJumps', ['../group__module__coordinateio.xhtml#ggae520b2721d9d5166e7c015b2654bd1d9a3c9450d09d1b92477398f1a26bbb11bf', 1, 'gmx']]],\n@@ -548,16 +548,16 @@\n         ['../namespacegmx.xhtml#a35a656f58d79c7258c8b6e0141bd440b', 1, 'gmx::Normalization']\n     ]],\n     ['normalizationtype_5f_344', ['normalizationType_', ['../classgmx_1_1AwhEnergyBlock.xhtml#a13a7cdfa3b51a59d927b3a6dc101bb48', 1, 'gmx::AwhEnergyBlock']]],\n     ['normalizationvalue_5f_345', ['normalizationValue_', ['../classgmx_1_1AwhEnergyBlock.xhtml#ad7c3727d885b1c8276f38bcb8d770dd4', 1, 'gmx::AwhEnergyBlock']]],\n     ['normalize_5facf_346', ['normalize_acf', ['../autocorr_8cpp.xhtml#a415d5aa1ec90e0366c9754df28f3e180', 1, 'autocorr.cpp']]],\n     ['normalizeblock_347', ['normalizeBlock', ['../namespacegmx.xhtml#a70bac9d01a06d35dc45d86a6bdba4f06', 1, 'gmx']]],\n     ['normalizedensities_5f_348', ['normalizeDensities_', ['../structgmx_1_1DensityFittingParameters.xhtml#a108b0f7f69ade1010f60a941430e1434', 1, 'gmx::DensityFittingParameters']]],\n-    ['normalizefreeenergyandpmfsum_349', ['normalizefreeenergyandpmfsum', ['../namespacegmx.xhtml#ac1a9213632dd1a11d0ad5eb64eb211cc', 1, 'gmx::normalizeFreeEnergyAndPmfSum()'],\n-        ['../classgmx_1_1PointState.xhtml#a9734176eb05174d67c84c4f6c1d44a6d', 1, 'gmx::PointState::normalizeFreeEnergyAndPmfSum()']\n+    ['normalizefreeenergyandpmfsum_349', ['normalizefreeenergyandpmfsum', ['../classgmx_1_1PointState.xhtml#a9734176eb05174d67c84c4f6c1d44a6d', 1, 'gmx::PointState::normalizeFreeEnergyAndPmfSum()'],\n+        ['../namespacegmx.xhtml#ac1a9213632dd1a11d0ad5eb64eb211cc', 1, 'gmx::normalizeFreeEnergyAndPmfSum()']\n     ]],\n     ['normalizeprobability_350', ['normalizeProbability', ['../classgmx_1_1AbstractAverageHistogram.xhtml#abc1ff464523654b5de9dd88ee7c036b4', 1, 'gmx::AbstractAverageHistogram']]],\n     ['normalizereferencedensity_351', ['normalizeReferenceDensity', ['../classgmx_1_1anonymous__namespace_02densityfitting_8cpp_03_1_1DensityFittingSimulationParameterSetup.xhtml#aba089e24c17d4a809955ccb7fbcadd74', 1, 'gmx::anonymous_namespace{densityfitting.cpp}::DensityFittingSimulationParameterSetup']]],\n     ['normalizesumpositivevaluestounity_352', ['normalizeSumPositiveValuesToUnity', ['../namespacegmx.xhtml#a327f10cbb6dad34a7a108b93d3f5d4e1', 1, 'gmx']]],\n     ['normalizevalue_353', ['normalizevalue', ['../classgmx_1_1EnumOptionStorage.xhtml#a714ef64c0797beedd1ffe8193b7b35a8', 1, 'gmx::EnumOptionStorage::normalizeValue()'],\n         ['../classgmx_1_1OptionStorageTemplateSimple.xhtml#a7b800b3a96308ce591b6ae34cf5817b6', 1, 'gmx::OptionStorageTemplateSimple::normalizeValue()']\n     ]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_12.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_12.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -414,18 +414,18 @@\n         ['../classgmx_1_1ExponentialDistribution.xhtml#a861d380456f3de070590091bcfa9c450', 1, 'gmx::ExponentialDistribution::operator==()'],\n         ['../classAtomIterator.xhtml#a131019b7785b19c5441332d1db5b53c1', 1, 'AtomIterator::operator==()'],\n         ['../classgmx_1_1GammaDistribution.xhtml#a8c16fff1f566e551eed4c120796d1b4d', 1, 'gmx::GammaDistribution::operator==()'],\n         ['../classgmx_1_1NormalDistribution_1_1param__type.xhtml#adce250aa91a8e661eeb251cd870bc721', 1, 'gmx::NormalDistribution::param_type::operator==()'],\n         ['../classgmx_1_1NormalDistribution.xhtml#aaa3b31154447ead4f82a4f703cbbb72e', 1, 'gmx::NormalDistribution::operator==()'],\n         ['../classgmx_1_1TabulatedNormalDistribution.xhtml#ab4eceef543b7c7870a20aa540c4ee14f', 1, 'gmx::TabulatedNormalDistribution::operator==()'],\n         ['../classgmx_1_1ThreeFry2x64General.xhtml#abdd84b4ad2be63bab6281d334a52b8f4', 1, 'gmx::ThreeFry2x64General::operator==()'],\n-        ['../classgmx_1_1UniformRealDistribution.xhtml#a8e84daaa940cc3848999e435e69a5c25', 1, 'gmx::UniformRealDistribution::operator==()'],\n-        ['../classgmx_1_1UniformRealDistribution_1_1param__type.xhtml#a51e148261d27165d5999d24b1efa7d29', 1, 'gmx::UniformRealDistribution::param_type::operator==()'],\n-        ['../classgmx_1_1UniformIntDistribution.xhtml#ad4fcfc7ee9414785a066f05c6592d20e', 1, 'gmx::UniformIntDistribution::operator==()'],\n         ['../classgmx_1_1UniformIntDistribution_1_1param__type.xhtml#a9326cd205dd093e9d6fc22aa590348d3', 1, 'gmx::UniformIntDistribution::param_type::operator==()'],\n+        ['../classgmx_1_1UniformIntDistribution.xhtml#ad4fcfc7ee9414785a066f05c6592d20e', 1, 'gmx::UniformIntDistribution::operator==()'],\n+        ['../classgmx_1_1UniformRealDistribution_1_1param__type.xhtml#a51e148261d27165d5999d24b1efa7d29', 1, 'gmx::UniformRealDistribution::param_type::operator==()'],\n+        ['../classgmx_1_1UniformRealDistribution.xhtml#a8e84daaa940cc3848999e435e69a5c25', 1, 'gmx::UniformRealDistribution::operator==()'],\n         ['../classgmx_1_1SelectionParserSymbolIterator.xhtml#a59e459feab609adf418f245fe3306fe3', 1, 'gmx::SelectionParserSymbolIterator::operator==()']\n     ]],\n     ['operator_5b_5d_133', ['operator[]', ['../classgmx_1_1FixedCapacityVector.xhtml#ac695b3695422899aa106a748f2242166', 1, 'gmx::FixedCapacityVector::operator[]()'],\n         ['../classgmx_1_1ListOfLists.xhtml#acd74b039aaea684b78fc368d2b0bb289', 1, 'gmx::ListOfLists::operator[]()'],\n         ['../structgmx_1_1EnumerationArray.xhtml#a19f0ee284d558c5158a392189af41237', 1, 'gmx::EnumerationArray::operator[]()'],\n         ['../classgmx_1_1ArrayRef.xhtml#ae5992e7e6c407d5f8fb0c08dd314b303', 1, 'gmx::ArrayRef::operator[]()'],\n         ['../classStringTable.xhtml#ad323be1b121601515ed9af457ec5ddcc', 1, 'StringTable::operator[]()'],\n@@ -453,20 +453,20 @@\n         ['../group__module__simd.xhtml#ga72cbfbcd5395b355e242f2ef4284f5c5', 1, 'gmx::operator|(SimdDouble a, SimdDouble b)'],\n         ['../group__module__simd.xhtml#ga65d3eb9cd43b33b4665dfe676c0e79d2', 1, 'gmx::operator|(SimdDInt32 a, SimdDInt32 b)'],\n         ['../classgmx_1_1FlagsTemplate.xhtml#a3320b083043b67b957a2a0f0d7afc331', 1, 'gmx::FlagsTemplate::operator|()'],\n         ['../group__module__simd.xhtml#ga69973d1808eb0e8e60715d3abf01cd22', 1, 'gmx::operator|(SimdFloat a, SimdFloat b)'],\n         ['../group__module__simd.xhtml#gaf6f2042babc63e1b20b08ed61d859f74', 1, 'gmx::operator|(SimdFInt32 a, SimdFInt32 b)']\n     ]],\n     ['operator_7c_3d_136', ['operator|=', ['../classgmx_1_1FlagsTemplate.xhtml#ae042cf7992ac906cf26a15a08708b779', 1, 'gmx::FlagsTemplate']]],\n-    ['operator_7c_7c_137', ['operator||', ['../group__module__simd.xhtml#gab7b197309edc60323a129fa9620a7400', 1, 'gmx::operator||(SimdFIBool a, SimdFIBool b)'],\n-        ['../group__module__simd.xhtml#ga5d5483d15fe15e3c3eaf1e4e90e53f90', 1, 'gmx::operator||(Simd4DBool a, Simd4DBool b)'],\n+    ['operator_7c_7c_137', ['operator||', ['../group__module__simd.xhtml#ga5d5483d15fe15e3c3eaf1e4e90e53f90', 1, 'gmx::operator||(Simd4DBool a, Simd4DBool b)'],\n         ['../group__module__simd.xhtml#gaf2ab4b4f3d3e7f6e9a012df64c1d9f3c', 1, 'gmx::operator||(Simd4FBool a, Simd4FBool b)'],\n         ['../group__module__simd.xhtml#gad1da27c5bc4fd40afe78810c7b6e0730', 1, 'gmx::operator||(SimdDBool a, SimdDBool b)'],\n         ['../group__module__simd.xhtml#ga2382ca9a262a0503bb5dcfcec09df671', 1, 'gmx::operator||(SimdDIBool a, SimdDIBool b)'],\n-        ['../group__module__simd.xhtml#ga5595db8a2c813f0ae078285a1b6b8bd3', 1, 'gmx::operator||(SimdFBool a, SimdFBool b)']\n+        ['../group__module__simd.xhtml#ga5595db8a2c813f0ae078285a1b6b8bd3', 1, 'gmx::operator||(SimdFBool a, SimdFBool b)'],\n+        ['../group__module__simd.xhtml#gab7b197309edc60323a129fa9620a7400', 1, 'gmx::operator||(SimdFIBool a, SimdFIBool b)']\n     ]],\n     ['operator_7e_138', ['operator~', ['../classgmx_1_1FlagsTemplate.xhtml#a38267207d85020c70e257cd26f526077', 1, 'gmx::FlagsTemplate']]],\n     ['opt_139', ['opt', ['../structt__filenm.xhtml#ae5882b5fc5beeb495f11a2e9307c64aa', 1, 't_filenm']]],\n     ['opt2bset_140', ['opt2bset', ['../group__module__commandline.xhtml#gaeeff60cfe846f34b5f2c29d786bf125c', 1, 'opt2bSet(const char *opt, int nfile, const t_filenm fnm[]):&#160;filenm.cpp'],\n         ['../group__module__commandline.xhtml#gaeeff60cfe846f34b5f2c29d786bf125c', 1, 'opt2bSet(const char *opt, int nfile, const t_filenm fnm[]):&#160;filenm.cpp']\n     ]],\n     ['opt2file_141', ['opt2FILE', ['../group__module__commandline.xhtml#gab26cf759c91577b19db7e87b2922d1b9', 1, 'filenm.h']]],\n@@ -500,61 +500,61 @@\n     ['opt2parg_5fstr_151', ['opt2parg_str', ['../group__module__commandline.xhtml#ga80e94dc67a2b2b515f6bce576875e7e9', 1, 'opt2parg_str(const char *option, int nparg, t_pargs pa[]):&#160;pargs.cpp'],\n         ['../group__module__commandline.xhtml#ga80e94dc67a2b2b515f6bce576875e7e9', 1, 'opt2parg_str(const char *option, int nparg, t_pargs pa[]):&#160;pargs.cpp']\n     ]],\n     ['opt2path_5foptional_152', ['opt2path_optional', ['../group__module__commandline.xhtml#ga47f278a4dee5951644434ceab8ef7092', 1, 'opt2path_optional(const char *opt, int nfile, const t_filenm fnm[]):&#160;filenm.cpp'],\n         ['../group__module__commandline.xhtml#ga47f278a4dee5951644434ceab8ef7092', 1, 'opt2path_optional(const char *opt, int nfile, const t_filenm fnm[]):&#160;filenm.cpp']\n     ]],\n     ['optimisationresult_153', ['OptimisationResult', ['../structgmx_1_1OptimisationResult.xhtml', 1, 'gmx']]],\n-    ['optimization_2ecpp_154', ['optimization.cpp', ['../tests_2optimization_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../optimization_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['optimization_2ecpp_154', ['optimization.cpp', ['../optimization_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2optimization_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['optimization_2eh_155', ['optimization.h', ['../optimization_8h.xhtml', 1, '']]],\n     ['optimize_5farithmetic_5fexpressions_156', ['optimize_arithmetic_expressions', ['../compiler_8cpp.xhtml#aa22e901f96e3edaa72c2e222ed75bd01', 1, 'compiler.cpp']]],\n     ['optimize_5fboolean_5fexpressions_157', ['optimize_boolean_expressions', ['../compiler_8cpp.xhtml#aaf983339164e05e4e7319e88683ca6d6', 1, 'compiler.cpp']]],\n     ['optimize_5fsurface_5fpoints_158', ['optimize_surface_points', ['../sm__insolidangle_8cpp.xhtml#aadef1b206fd479d83a526a388faa275e', 1, 'sm_insolidangle.cpp']]],\n     ['optimizeddcells_159', ['optimizeDDCells', ['../domdec__setup_8cpp.xhtml#a0116fb195a0ff21854f683c3d8676b5a', 1, 'domdec_setup.cpp']]],\n-    ['option_160', ['option', ['../structt__pargs.xhtml#a11d53770ae18dbb0a0320c925b4ebc35', 1, 't_pargs::option'],\n-        ['../classgmx_1_1OptionInfo.xhtml#a1ec4a05fce3bfa125c320dd8e0cfc604', 1, 'gmx::OptionInfo::option()'],\n-        ['../classgmx_1_1OptionInfo.xhtml#adc99ae3c6896ed469ae9a4aff7423cd9', 1, 'gmx::OptionInfo::option() const']\n+    ['option_160', ['option', ['../classgmx_1_1OptionInfo.xhtml#adc99ae3c6896ed469ae9a4aff7423cd9', 1, 'gmx::OptionInfo::option()'],\n+        ['../structt__pargs.xhtml#a11d53770ae18dbb0a0320c925b4ebc35', 1, 't_pargs::option'],\n+        ['../classgmx_1_1OptionInfo.xhtml#a1ec4a05fce3bfa125c320dd8e0cfc604', 1, 'gmx::OptionInfo::option()']\n     ]],\n     ['option_20module_20parameters_161', ['Storing non-mdp option module parameters', ['../page_mdmodules.xhtml#autotoc_md7', 1, '']]],\n     ['option_2ecpp_162', ['option.cpp', ['../option_8cpp.xhtml', 1, '']]],\n     ['optionfiletype_163', ['OptionFileType', ['../group__module__options.xhtml#ga322a6d38e527f46b273c08583a31665d', 1, 'gmx']]],\n     ['optionfiletype_2eh_164', ['optionfiletype.h', ['../optionfiletype_8h.xhtml', 1, '']]],\n     ['optionflag_165', ['OptionFlag', ['../namespacegmx.xhtml#ad86fc7354045be1e1456c019b8f97c25', 1, 'gmx']]],\n     ['optionflags_166', ['OptionFlags', ['../namespacegmx.xhtml#a0b60cc84dcdf372e00a5084712630993', 1, 'gmx']]],\n     ['optionflags_2eh_167', ['optionflags.h', ['../optionflags_8h.xhtml', 1, '']]],\n-    ['optioninfo_168', ['optioninfo', ['../classgmx_1_1test_1_1anonymous__namespace_02abstractoptionstorage_8cpp_03_1_1MockOptionStorage.xhtml#a7d87e123198297afec33a2f9e047afea', 1, 'gmx::test::anonymous_namespace{abstractoptionstorage.cpp}::MockOptionStorage::optionInfo()'],\n+    ['optioninfo_168', ['optioninfo', ['../classgmx_1_1FileNameOptionStorage.xhtml#ac565fab34f14163b1e8591c73b13179b', 1, 'gmx::FileNameOptionStorage::optionInfo()'],\n+        ['../classgmx_1_1FloatOptionStorage.xhtml#a22c2a72cd49b6566794868f635f363fb', 1, 'gmx::FloatOptionStorage::optionInfo()'],\n+        ['../classgmx_1_1StringOptionStorage.xhtml#adfec3df516810853d338d2a19f3082cb', 1, 'gmx::StringOptionStorage::optionInfo()'],\n+        ['../classgmx_1_1EnumOptionStorage.xhtml#adbdf1a9b814e0e4ce1d33726c51c3527', 1, 'gmx::EnumOptionStorage::optionInfo()'],\n         ['../classgmx_1_1SelectionOptionStorage.xhtml#a92005e65992f933cee89ac8e73364c26', 1, 'gmx::SelectionOptionStorage::optionInfo()'],\n         ['../classgmx_1_1SelectionFileOptionStorage.xhtml#ae7e23ab9895809f8529112419a0d6868', 1, 'gmx::SelectionFileOptionStorage::optionInfo()'],\n-        ['../classgmx_1_1FileNameOptionStorage.xhtml#ac565fab34f14163b1e8591c73b13179b', 1, 'gmx::FileNameOptionStorage::optionInfo()'],\n-        ['../classgmx_1_1EnumOptionStorage.xhtml#adbdf1a9b814e0e4ce1d33726c51c3527', 1, 'gmx::EnumOptionStorage::optionInfo()'],\n-        ['../classgmx_1_1StringOptionStorage.xhtml#adfec3df516810853d338d2a19f3082cb', 1, 'gmx::StringOptionStorage::optionInfo()'],\n-        ['../classgmx_1_1FloatOptionStorage.xhtml#a22c2a72cd49b6566794868f635f363fb', 1, 'gmx::FloatOptionStorage::optionInfo()'],\n+        ['../classgmx_1_1test_1_1anonymous__namespace_02abstractoptionstorage_8cpp_03_1_1MockOptionStorage.xhtml#a7d87e123198297afec33a2f9e047afea', 1, 'gmx::test::anonymous_namespace{abstractoptionstorage.cpp}::MockOptionStorage::optionInfo()'],\n         ['../classgmx_1_1Int64OptionStorage.xhtml#a3b575c5b59217bd0f94ff8a44aa1c9b5', 1, 'gmx::Int64OptionStorage::optionInfo()'],\n         ['../classgmx_1_1OptionInfo.xhtml', 1, 'gmx::OptionInfo'],\n         ['../classgmx_1_1OptionInfo.xhtml#a28702d9e5916402f81fe48c541a260bc', 1, 'gmx::OptionInfo::OptionInfo()'],\n         ['../classgmx_1_1AbstractOptionStorage.xhtml#a14a9360077f79b7c0f768260fa807796', 1, 'gmx::AbstractOptionStorage::optionInfo()'],\n-        ['../classgmx_1_1DoubleOptionStorage.xhtml#a6a468029afea3a69795399893e9c9e61', 1, 'gmx::DoubleOptionStorage::optionInfo()'],\n+        ['../classgmx_1_1BooleanOptionStorage.xhtml#a6dcd9cecae230e1d8f9551d329fb6fbc', 1, 'gmx::BooleanOptionStorage::optionInfo()'],\n         ['../classgmx_1_1IntegerOptionStorage.xhtml#a51929f25babbe05a1b8829acd081702a', 1, 'gmx::IntegerOptionStorage::optionInfo()'],\n-        ['../classgmx_1_1BooleanOptionStorage.xhtml#a6dcd9cecae230e1d8f9551d329fb6fbc', 1, 'gmx::BooleanOptionStorage::optionInfo()']\n+        ['../classgmx_1_1DoubleOptionStorage.xhtml#a6a468029afea3a69795399893e9c9e61', 1, 'gmx::DoubleOptionStorage::optionInfo()']\n     ]],\n-    ['optionlist_169', ['optionlist', ['../classgmx_1_1internal_1_1OptionSectionImpl_1_1Group.xhtml#abd2f04d3b754c9be06639ee28a16e0e7', 1, 'gmx::internal::OptionSectionImpl::Group::OptionList'],\n-        ['../classgmx_1_1SelectionOptionManager_1_1Impl.xhtml#a9bcab8534a29f710047bfcccba220da1', 1, 'gmx::SelectionOptionManager::Impl::OptionList']\n+    ['optionlist_169', ['optionlist', ['../classgmx_1_1SelectionOptionManager_1_1Impl.xhtml#a9bcab8534a29f710047bfcccba220da1', 1, 'gmx::SelectionOptionManager::Impl::OptionList'],\n+        ['../classgmx_1_1internal_1_1OptionSectionImpl_1_1Group.xhtml#abd2f04d3b754c9be06639ee28a16e0e7', 1, 'gmx::internal::OptionSectionImpl::Group::OptionList']\n     ]],\n     ['optionmanagercontainer_170', ['OptionManagerContainer', ['../classgmx_1_1OptionManagerContainer.xhtml', 1, 'gmx']]],\n     ['optionmanagercontainer_2eh_171', ['optionmanagercontainer.h', ['../optionmanagercontainer_8h.xhtml', 1, '']]],\n     ['optionmap_172', ['OptionMap', ['../classgmx_1_1internal_1_1OptionSectionImpl.xhtml#aa8de9d9b14647ede508a45dfb7ebbd22', 1, 'gmx::internal::OptionSectionImpl']]],\n     ['optionmap_5f_173', ['optionMap_', ['../classgmx_1_1internal_1_1OptionSectionImpl.xhtml#aec29c46247eccc69f7ffa3f5c9cebed4', 1, 'gmx::internal::OptionSectionImpl']]],\n-    ['options_174', ['options', ['../page_energyanalysisframework.xhtml#section_energyanalysisframework_options', 1, 'Input options'],\n+    ['options_174', ['options', ['../page_trajectoryanalysisframework.xhtml#section_trajectoryanalysisframework_options', 1, 'Input options'],\n+        ['../page_energyanalysisframework.xhtml#section_energyanalysisframework_options', 1, 'Input options'],\n         ['../page_analysistemplate.xhtml#autotoc_md83', 1, 'Input options'],\n-        ['../page_trajectoryanalysisframework.xhtml#section_trajectoryanalysisframework_options', 1, 'Input options'],\n         ['../classgmx_1_1Options.xhtml#a488515445eb8fd101a43b1903e64bdbf', 1, 'gmx::Options::Options()'],\n-        ['../classgmx_1_1CommandLineCommonOptionsHolder.xhtml#af6fe6e0a4bd11c13b7f64e60dfe59c2b', 1, 'gmx::CommandLineCommonOptionsHolder::options()'],\n         ['../classgmx_1_1Options.xhtml', 1, 'gmx::Options'],\n+        ['../classgmx_1_1CommandLineCommonOptionsHolder.xhtml#af6fe6e0a4bd11c13b7f64e60dfe59c2b', 1, 'gmx::CommandLineCommonOptionsHolder::options()'],\n         ['../classgmx__reverse__top__t.xhtml#a1784e4b777f6805ec9e792f04fa2b78a', 1, 'gmx_reverse_top_t::options()']\n     ]],\n     ['options_20options_175', ['Extensible Handling of Options (options)', ['../group__module__options.xhtml', 1, '']]],\n     ['options_2ecpp_176', ['options.cpp', ['../options_8cpp.xhtml', 1, '']]],\n     ['options_2eh_177', ['options.h', ['../src_2gromacs_2domdec_2options_8h.xhtml', 1, '(Global Namespace)'],\n         ['../api_2legacy_2include_2gromacs_2options_2options_8h.xhtml', 1, '(Global Namespace)']\n     ]],\n@@ -562,89 +562,89 @@\n         ['../classgmx_1_1test_1_1FlagTest.xhtml#af80844cb3a58c500effbefef505aab8b', 1, 'gmx::test::FlagTest::options_'],\n         ['../classgmx_1_1DomainDecompositionBuilder_1_1Impl.xhtml#a461bcb33bd4d0aed73b9a02f46963ba4', 1, 'gmx::DomainDecompositionBuilder::Impl::options_'],\n         ['../classgmx_1_1internal_1_1OptionSectionImpl_1_1Group.xhtml#aa0b581c60a66865d20e59c0b7734729c', 1, 'gmx::internal::OptionSectionImpl::Group::options_'],\n         ['../classgmx_1_1OptionsAssigner_1_1Impl.xhtml#a292a0c6cfed7148f01a99b95d8f8d7f4', 1, 'gmx::OptionsAssigner::Impl::options_'],\n         ['../classgmx_1_1SelectionOptionManager_1_1Impl.xhtml#a82e46f05bb9b7b80b013b6c614089228', 1, 'gmx::SelectionOptionManager::Impl::options_']\n     ]],\n     ['options_5fimpl_2eh_179', ['options_impl.h', ['../options__impl_8h.xhtml', 1, '']]],\n-    ['optionsadapter_180', ['optionsadapter', ['../classgmx_1_1anonymous__namespace_02pargs_8cpp_03_1_1OptionsAdapter.xhtml', 1, 'gmx::anonymous_namespace{pargs.cpp}::OptionsAdapter'],\n-        ['../classgmx_1_1anonymous__namespace_02pargs_8cpp_03_1_1OptionsAdapter.xhtml#a1f9a304d7b9fb1e0ecf1e1241be78a04', 1, 'gmx::anonymous_namespace{pargs.cpp}::OptionsAdapter::OptionsAdapter()']\n+    ['optionsadapter_180', ['optionsadapter', ['../classgmx_1_1anonymous__namespace_02pargs_8cpp_03_1_1OptionsAdapter.xhtml#a1f9a304d7b9fb1e0ecf1e1241be78a04', 1, 'gmx::anonymous_namespace{pargs.cpp}::OptionsAdapter::OptionsAdapter()'],\n+        ['../classgmx_1_1anonymous__namespace_02pargs_8cpp_03_1_1OptionsAdapter.xhtml', 1, 'gmx::anonymous_namespace{pargs.cpp}::OptionsAdapter']\n     ]],\n-    ['optionsassigner_181', ['optionsassigner', ['../classgmx_1_1OptionsAssigner.xhtml', 1, 'gmx::OptionsAssigner'],\n-        ['../classgmx_1_1Options.xhtml#a597cdff9412b378552b0419beb08fb2f', 1, 'gmx::Options::OptionsAssigner'],\n-        ['../classgmx_1_1OptionsAssigner.xhtml#a1ec73dc8457bd1a10e4542b0617aac2c', 1, 'gmx::OptionsAssigner::OptionsAssigner()']\n+    ['optionsassigner_181', ['optionsassigner', ['../classgmx_1_1Options.xhtml#a597cdff9412b378552b0419beb08fb2f', 1, 'gmx::Options::OptionsAssigner'],\n+        ['../classgmx_1_1OptionsAssigner.xhtml#a1ec73dc8457bd1a10e4542b0617aac2c', 1, 'gmx::OptionsAssigner::OptionsAssigner()'],\n+        ['../classgmx_1_1OptionsAssigner.xhtml', 1, 'gmx::OptionsAssigner']\n     ]],\n-    ['optionsassigner_2ecpp_182', ['optionsassigner.cpp', ['../tests_2optionsassigner_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../optionsassigner_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['optionsassigner_2ecpp_182', ['optionsassigner.cpp', ['../optionsassigner_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2optionsassigner_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['optionsassigner_2eh_183', ['optionsassigner.h', ['../optionsassigner_8h.xhtml', 1, '']]],\n-    ['optionsbehaviorcollection_184', ['optionsbehaviorcollection', ['../classgmx_1_1OptionsBehaviorCollection.xhtml#a74526a586cd629ef3cf99fea463e57f1', 1, 'gmx::OptionsBehaviorCollection::OptionsBehaviorCollection()'],\n-        ['../classgmx_1_1OptionsBehaviorCollection.xhtml', 1, 'gmx::OptionsBehaviorCollection']\n+    ['optionsbehaviorcollection_184', ['optionsbehaviorcollection', ['../classgmx_1_1OptionsBehaviorCollection.xhtml', 1, 'gmx::OptionsBehaviorCollection'],\n+        ['../classgmx_1_1OptionsBehaviorCollection.xhtml#a74526a586cd629ef3cf99fea463e57f1', 1, 'gmx::OptionsBehaviorCollection::OptionsBehaviorCollection()']\n     ]],\n     ['optionsbehaviorpointer_185', ['OptionsBehaviorPointer', ['../namespacegmx.xhtml#a059233e5e29d17f821d7f56ef3faa7e4', 1, 'gmx']]],\n     ['optionsection_186', ['optionsection', ['../classgmx_1_1OptionSection.xhtml#a74841a5d684ddb79e48ced3904fc87c2', 1, 'gmx::OptionSection::OptionSection()'],\n         ['../classgmx_1_1OptionSection.xhtml', 1, 'gmx::OptionSection']\n     ]],\n     ['optionsection_2eh_187', ['optionsection.h', ['../optionsection_8h.xhtml', 1, '']]],\n-    ['optionsectionhandle_188', ['optionsectionhandle', ['../classgmx_1_1OptionSectionHandle.xhtml', 1, 'gmx::OptionSectionHandle'],\n-        ['../classgmx_1_1OptionSectionHandle.xhtml#a45e7721f3ce03848210e7ca441a14aac', 1, 'gmx::OptionSectionHandle::OptionSectionHandle()']\n+    ['optionsectionhandle_188', ['optionsectionhandle', ['../classgmx_1_1OptionSectionHandle.xhtml#a45e7721f3ce03848210e7ca441a14aac', 1, 'gmx::OptionSectionHandle::OptionSectionHandle()'],\n+        ['../classgmx_1_1OptionSectionHandle.xhtml', 1, 'gmx::OptionSectionHandle']\n     ]],\n     ['optionsectionimpl_189', ['optionsectionimpl', ['../classgmx_1_1internal_1_1OptionSectionImpl.xhtml#ad732e164448081e172643b2e192e1d68', 1, 'gmx::internal::OptionSectionImpl::OptionSectionImpl()'],\n         ['../classgmx_1_1internal_1_1OptionSectionImpl.xhtml', 1, 'gmx::internal::OptionSectionImpl']\n     ]],\n     ['optionsfilter_190', ['optionsfilter', ['../classgmx_1_1anonymous__namespace_02cmdlinehelpwriter_8cpp_03_1_1OptionsFilter.xhtml', 1, 'gmx::anonymous_namespace{cmdlinehelpwriter.cpp}::OptionsFilter'],\n         ['../classgmx_1_1anonymous__namespace_02cmdlinehelpwriter_8cpp_03_1_1OptionsFilter.xhtml#aacaefce8572e2ffc40493686194daf32', 1, 'gmx::anonymous_namespace{cmdlinehelpwriter.cpp}::OptionsFilter::OptionsFilter()']\n     ]],\n-    ['optionsfinished_191', ['optionsfinished', ['../group__module__trajectoryanalysis.xhtml#gad6e3bdf7096e4c88b9ff8cf4e1ad9739', 1, 'gmx::analysismodules::anonymous_namespace{rdf.cpp}::Rdf::optionsFinished()'],\n+    ['optionsfinished_191', ['optionsfinished', ['../classgmx_1_1SelectionOptionBehavior.xhtml#ac18e2436bac7d70a0a973166150b3683', 1, 'gmx::SelectionOptionBehavior::optionsFinished()'],\n         ['../classgmx_1_1TrajectoryAnalysisModule.xhtml#afa3457cc922f1d16c4c19cec740e0442', 1, 'gmx::TrajectoryAnalysisModule::optionsFinished()'],\n-        ['../classgmx_1_1SelectionOptionBehavior.xhtml#ac18e2436bac7d70a0a973166150b3683', 1, 'gmx::SelectionOptionBehavior::optionsFinished()'],\n         ['../classgmx_1_1TimeUnitBehavior.xhtml#a39dbf3ae0c6cd27e41260525cdc81934', 1, 'gmx::TimeUnitBehavior::optionsFinished()'],\n         ['../classgmx_1_1IOptionsBehavior.xhtml#a0e51c68861417e488fcb2a61b425887a', 1, 'gmx::IOptionsBehavior::optionsFinished()'],\n         ['../classgmx_1_1TrajectoryAnalysisRunnerCommon.xhtml#a03b3e6895e314ca7ea90359ed0a3fedd', 1, 'gmx::TrajectoryAnalysisRunnerCommon::optionsFinished()'],\n         ['../classgmx_1_1analysismodules_1_1Msd.xhtml#a0b40f3faf4d88711bbabac660aa3f597', 1, 'gmx::analysismodules::Msd::optionsFinished()'],\n         ['../classgmx_1_1OptionsBehaviorCollection.xhtml#a96e859a1f8ceb6bd4c430944a4f3faaa', 1, 'gmx::OptionsBehaviorCollection::optionsFinished()'],\n-        ['../classgmx_1_1ICommandLineOptionsModule.xhtml#ace80320e3379cc01c79e52c2a51e4e56', 1, 'gmx::ICommandLineOptionsModule::optionsFinished()']\n+        ['../classgmx_1_1ICommandLineOptionsModule.xhtml#ace80320e3379cc01c79e52c2a51e4e56', 1, 'gmx::ICommandLineOptionsModule::optionsFinished()'],\n+        ['../group__module__trajectoryanalysis.xhtml#gad6e3bdf7096e4c88b9ff8cf4e1ad9739', 1, 'gmx::analysismodules::anonymous_namespace{rdf.cpp}::Rdf::optionsFinished()']\n     ]],\n-    ['optionsfinishing_192', ['optionsfinishing', ['../classgmx_1_1IOptionsBehavior.xhtml#a2d687df65d56514816478fcda042c3b1', 1, 'gmx::IOptionsBehavior::optionsFinishing()'],\n+    ['optionsfinishing_192', ['optionsfinishing', ['../classgmx_1_1OptionsBehaviorCollection.xhtml#a677d18d5dc8e7656783ca21b486055d2', 1, 'gmx::OptionsBehaviorCollection::optionsFinishing()'],\n+        ['../classgmx_1_1IOptionsBehavior.xhtml#a2d687df65d56514816478fcda042c3b1', 1, 'gmx::IOptionsBehavior::optionsFinishing()'],\n         ['../classgmx_1_1TimeUnitBehavior.xhtml#a40693bc93fd435e9fb88c14f68dc709f', 1, 'gmx::TimeUnitBehavior::optionsFinishing()'],\n-        ['../classgmx_1_1OptionsBehaviorCollection.xhtml#a677d18d5dc8e7656783ca21b486055d2', 1, 'gmx::OptionsBehaviorCollection::optionsFinishing()'],\n         ['../classgmx_1_1SelectionOptionBehavior.xhtml#ab968390f8410e64d43021d5d7455154b', 1, 'gmx::SelectionOptionBehavior::optionsFinishing()']\n     ]],\n     ['optionsimpl_193', ['OptionsImpl', ['../classgmx_1_1internal_1_1OptionsImpl.xhtml', 1, 'gmx::internal']]],\n-    ['optionsiterator_194', ['optionsiterator', ['../classgmx_1_1OptionsIterator.xhtml#a85a4bbdac8294e17f46c19b869ec18ad', 1, 'gmx::OptionsIterator::OptionsIterator()'],\n-        ['../classgmx_1_1OptionsIterator.xhtml', 1, 'gmx::OptionsIterator'],\n-        ['../classgmx_1_1OptionsIterator.xhtml#a04e208ff7282fa44bcf65172bf5ec6bc', 1, 'gmx::OptionsIterator::OptionsIterator()']\n-    ]],\n-    ['optionslistformatter_195', ['optionslistformatter', ['../group__module__commandline.xhtml#gae57df389ee654625f4f37889feb0d1af', 1, 'gmx::anonymous_namespace{cmdlinehelpwriter.cpp}::OptionsListFormatter::OptionsListFormatter()'],\n-        ['../classgmx_1_1anonymous__namespace_02cmdlinehelpwriter_8cpp_03_1_1OptionsListFormatter.xhtml', 1, 'gmx::anonymous_namespace{cmdlinehelpwriter.cpp}::OptionsListFormatter']\n-    ]],\n-    ['optionsmodifyingiterator_196', ['optionsmodifyingiterator', ['../classgmx_1_1OptionsModifyingIterator.xhtml#af187e7362d387745eb6f6484f6468305', 1, 'gmx::OptionsModifyingIterator::OptionsModifyingIterator(Options *options)'],\n-        ['../classgmx_1_1OptionsModifyingIterator.xhtml#aaa68f5b4806f54f03162b53b4b0a6965', 1, 'gmx::OptionsModifyingIterator::OptionsModifyingIterator(OptionSectionInfo *section)'],\n-        ['../classgmx_1_1OptionsModifyingIterator.xhtml', 1, 'gmx::OptionsModifyingIterator']\n+    ['optionsiterator_194', ['optionsiterator', ['../classgmx_1_1OptionsIterator.xhtml', 1, 'gmx::OptionsIterator'],\n+        ['../classgmx_1_1OptionsIterator.xhtml#a04e208ff7282fa44bcf65172bf5ec6bc', 1, 'gmx::OptionsIterator::OptionsIterator(const OptionSectionInfo &amp;section)'],\n+        ['../classgmx_1_1OptionsIterator.xhtml#a85a4bbdac8294e17f46c19b869ec18ad', 1, 'gmx::OptionsIterator::OptionsIterator(const Options &amp;options)']\n+    ]],\n+    ['optionslistformatter_195', ['optionslistformatter', ['../classgmx_1_1anonymous__namespace_02cmdlinehelpwriter_8cpp_03_1_1OptionsListFormatter.xhtml', 1, 'gmx::anonymous_namespace{cmdlinehelpwriter.cpp}::OptionsListFormatter'],\n+        ['../group__module__commandline.xhtml#gae57df389ee654625f4f37889feb0d1af', 1, 'gmx::anonymous_namespace{cmdlinehelpwriter.cpp}::OptionsListFormatter::OptionsListFormatter()']\n+    ]],\n+    ['optionsmodifyingiterator_196', ['optionsmodifyingiterator', ['../classgmx_1_1OptionsModifyingIterator.xhtml', 1, 'gmx::OptionsModifyingIterator'],\n+        ['../classgmx_1_1OptionsModifyingIterator.xhtml#af187e7362d387745eb6f6484f6468305', 1, 'gmx::OptionsModifyingIterator::OptionsModifyingIterator(Options *options)'],\n+        ['../classgmx_1_1OptionsModifyingIterator.xhtml#aaa68f5b4806f54f03162b53b4b0a6965', 1, 'gmx::OptionsModifyingIterator::OptionsModifyingIterator(OptionSectionInfo *section)']\n     ]],\n     ['optionsmodifyingtypevisitor_197', ['OptionsModifyingTypeVisitor', ['../classgmx_1_1OptionsModifyingTypeVisitor.xhtml', 1, 'gmx']]],\n     ['optionsmodifyingtypevisitor_3c_20floatingpointoptioninfo_20_3e_198', ['OptionsModifyingTypeVisitor&lt; FloatingPointOptionInfo &gt;', ['../classgmx_1_1OptionsModifyingTypeVisitor.xhtml', 1, 'gmx']]],\n     ['optionsmodifyingvisitor_199', ['OptionsModifyingVisitor', ['../classgmx_1_1OptionsModifyingVisitor.xhtml', 1, 'gmx']]],\n     ['optionsmodulesettings_5f_200', ['optionsModuleSettings_', ['../classgmx_1_1TrajectoryAnalysisSettings_1_1Impl.xhtml#aa30802598cfbc0bfa82a65579e47651a', 1, 'gmx::TrajectoryAnalysisSettings::Impl']]],\n-    ['optionstoragetemplate_201', ['optionstoragetemplate', ['../classgmx_1_1OptionStorageTemplate.xhtml#a979a7a8f2176df65f7ba26e52e67da6e', 1, 'gmx::OptionStorageTemplate::OptionStorageTemplate()'],\n-        ['../classgmx_1_1OptionStorageTemplate.xhtml', 1, 'gmx::OptionStorageTemplate&lt; T &gt;'],\n-        ['../classgmx_1_1OptionStorageTemplate.xhtml#a141155fc18064e65d14e23f2c26f8b6e', 1, 'gmx::OptionStorageTemplate::OptionStorageTemplate()']\n+    ['optionstoragetemplate_201', ['optionstoragetemplate', ['../classgmx_1_1OptionStorageTemplate.xhtml#a979a7a8f2176df65f7ba26e52e67da6e', 1, 'gmx::OptionStorageTemplate::OptionStorageTemplate(const OptionTemplate&lt; T, U &gt; &amp;settings, OptionFlags staticFlags=OptionFlags())'],\n+        ['../classgmx_1_1OptionStorageTemplate.xhtml#a141155fc18064e65d14e23f2c26f8b6e', 1, 'gmx::OptionStorageTemplate::OptionStorageTemplate(const AbstractOption &amp;settings, StorePointer store)'],\n+        ['../classgmx_1_1OptionStorageTemplate.xhtml', 1, 'gmx::OptionStorageTemplate&lt; T &gt;']\n     ]],\n     ['optionstoragetemplate_2eh_202', ['optionstoragetemplate.h', ['../optionstoragetemplate_8h.xhtml', 1, '']]],\n     ['optionstoragetemplate_3c_20bool_20_3e_203', ['OptionStorageTemplate&lt; bool &gt;', ['../classgmx_1_1OptionStorageTemplate.xhtml', 1, 'gmx']]],\n     ['optionstoragetemplate_3c_20double_20_3e_204', ['OptionStorageTemplate&lt; double &gt;', ['../classgmx_1_1OptionStorageTemplate.xhtml', 1, 'gmx']]],\n     ['optionstoragetemplate_3c_20float_20_3e_205', ['OptionStorageTemplate&lt; float &gt;', ['../classgmx_1_1OptionStorageTemplate.xhtml', 1, 'gmx']]],\n     ['optionstoragetemplate_3c_20int_20_3e_206', ['OptionStorageTemplate&lt; int &gt;', ['../classgmx_1_1OptionStorageTemplate.xhtml', 1, 'gmx']]],\n     ['optionstoragetemplate_3c_20int64_5ft_20_3e_207', ['OptionStorageTemplate&lt; int64_t &gt;', ['../classgmx_1_1OptionStorageTemplate.xhtml', 1, 'gmx']]],\n     ['optionstoragetemplate_3c_20selection_20_3e_208', ['OptionStorageTemplate&lt; Selection &gt;', ['../classgmx_1_1OptionStorageTemplate.xhtml', 1, 'gmx']]],\n     ['optionstoragetemplate_3c_20std_3a_3astring_20_3e_209', ['OptionStorageTemplate&lt; std::string &gt;', ['../classgmx_1_1OptionStorageTemplate.xhtml', 1, 'gmx']]],\n     ['optionstoragetemplate_3c_20t_20_3e_210', ['OptionStorageTemplate&lt; T &gt;', ['../classgmx_1_1OptionTemplate.xhtml#ab80c7870f0ebd9ae3616c058e6dbbefb', 1, 'gmx::OptionTemplate']]],\n-    ['optionstoragetemplatesimple_211', ['optionstoragetemplatesimple', ['../classgmx_1_1OptionStorageTemplateSimple.xhtml#a2b67619b759d98066288d538f16c9dcf', 1, 'gmx::OptionStorageTemplateSimple::OptionStorageTemplateSimple(const OptionTemplate&lt; T, U &gt; &amp;settings, OptionFlags staticFlags=OptionFlags())'],\n-        ['../classgmx_1_1OptionStorageTemplateSimple.xhtml#a6f7e8357206372a4b1ab3de686b4ee72', 1, 'gmx::OptionStorageTemplateSimple::OptionStorageTemplateSimple(const AbstractOption &amp;settings, typename OptionStorageTemplate&lt; T &gt;::StorePointer store)'],\n-        ['../classgmx_1_1OptionStorageTemplateSimple.xhtml', 1, 'gmx::OptionStorageTemplateSimple&lt; T &gt;']\n+    ['optionstoragetemplatesimple_211', ['optionstoragetemplatesimple', ['../classgmx_1_1OptionStorageTemplateSimple.xhtml', 1, 'gmx::OptionStorageTemplateSimple&lt; T &gt;'],\n+        ['../classgmx_1_1OptionStorageTemplateSimple.xhtml#a2b67619b759d98066288d538f16c9dcf', 1, 'gmx::OptionStorageTemplateSimple::OptionStorageTemplateSimple(const OptionTemplate&lt; T, U &gt; &amp;settings, OptionFlags staticFlags=OptionFlags())'],\n+        ['../classgmx_1_1OptionStorageTemplateSimple.xhtml#a6f7e8357206372a4b1ab3de686b4ee72', 1, 'gmx::OptionStorageTemplateSimple::OptionStorageTemplateSimple(const AbstractOption &amp;settings, typename OptionStorageTemplate&lt; T &gt;::StorePointer store)']\n     ]],\n     ['optionstoragetemplatesimple_3c_20bool_20_3e_212', ['OptionStorageTemplateSimple&lt; bool &gt;', ['../classgmx_1_1OptionStorageTemplateSimple.xhtml', 1, 'gmx']]],\n     ['optionstoragetemplatesimple_3c_20double_20_3e_213', ['OptionStorageTemplateSimple&lt; double &gt;', ['../classgmx_1_1OptionStorageTemplateSimple.xhtml', 1, 'gmx']]],\n     ['optionstoragetemplatesimple_3c_20float_20_3e_214', ['OptionStorageTemplateSimple&lt; float &gt;', ['../classgmx_1_1OptionStorageTemplateSimple.xhtml', 1, 'gmx']]],\n     ['optionstoragetemplatesimple_3c_20int_20_3e_215', ['OptionStorageTemplateSimple&lt; int &gt;', ['../classgmx_1_1OptionStorageTemplateSimple.xhtml', 1, 'gmx']]],\n     ['optionstoragetemplatesimple_3c_20int64_5ft_20_3e_216', ['OptionStorageTemplateSimple&lt; int64_t &gt;', ['../classgmx_1_1OptionStorageTemplateSimple.xhtml', 1, 'gmx']]],\n     ['optionstoragetemplatesimple_3c_20std_3a_3astring_20_3e_217', ['OptionStorageTemplateSimple&lt; std::string &gt;', ['../classgmx_1_1OptionStorageTemplateSimple.xhtml', 1, 'gmx']]],\n@@ -675,17 +675,17 @@\n     ['optionvalueconvertersimple_3c_20std_3a_3astring_20_3e_240', ['OptionValueConverterSimple&lt; std::string &gt;', ['../classgmx_1_1OptionValueConverterSimple.xhtml', 1, 'gmx']]],\n     ['optionvalueconvertersimple_3c_20t_20_3e_241', ['OptionValueConverterSimple&lt; T &gt;', ['../classgmx_1_1OptionValueConverterSimple.xhtml', 1, 'gmx']]],\n     ['optionvaluestorenull_242', ['OptionValueStoreNull', ['../classgmx_1_1OptionValueStoreNull.xhtml', 1, 'gmx']]],\n     ['oracle_243', ['Oracle', ['../classgmx_1_1CpuInfo.xhtml#acd7ff27553f3ff9fd1037c30c21a24f1a30162ed78b6c10f731411f2fc440c24f', 1, 'gmx::CpuInfo']]],\n     ['order_244', ['Order', ['../pme__gpu__constants_8h.xhtml#a3906f1a6891bba7e415ad2b7d3c4cef0aa240fa27925a635b08dc28c9e4f9216d', 1, 'pme_gpu_constants.h']]],\n     ['ordersquared_245', ['OrderSquared', ['../pme__gpu__constants_8h.xhtml#a3906f1a6891bba7e415ad2b7d3c4cef0a3d710f4169b9fe35b6d53ef728db2bf6', 1, 'pme_gpu_constants.h']]],\n     ['ordertensors_246', ['orderTensors', ['../structt__oriresdata.xhtml#a7bcf5d4b19c3f7dff0f62066056a76e0', 1, 't_oriresdata']]],\n-    ['ordervector_247', ['ordervector', ['../partition_8cpp.xhtml#a62dabb329c6aed5f62c3293a4482de77', 1, 'orderVector(gmx::ArrayRef&lt; const gmx_cgsort_t &gt; sort, gmx::ArrayRef&lt; T &gt; dataToSort, const T fillerValue, gmx::ArrayRef&lt; T &gt; sortBuffer):&#160;partition.cpp'],\n+    ['ordervector_247', ['ordervector', ['../partition_8cpp.xhtml#af81b8dd487eb827d0d44a3c08a6bd581', 1, 'orderVector(gmx::ArrayRef&lt; const gmx_cgsort_t &gt; sort, gmx::ArrayRef&lt; T &gt; vectorToSort, const T &amp;fillerValue, gmx::FastVector&lt; T &gt; *workVector):&#160;partition.cpp'],\n         ['../partition_8cpp.xhtml#abbd68a7388ff560860dec6df7b128bb4', 1, 'orderVector(gmx::ArrayRef&lt; const gmx_cgsort_t &gt; sort, gmx::ArrayRef&lt; T &gt; dataToSort, gmx::ArrayRef&lt; T &gt; sortBuffer):&#160;partition.cpp'],\n-        ['../partition_8cpp.xhtml#af81b8dd487eb827d0d44a3c08a6bd581', 1, 'orderVector(gmx::ArrayRef&lt; const gmx_cgsort_t &gt; sort, gmx::ArrayRef&lt; T &gt; vectorToSort, const T &amp;fillerValue, gmx::FastVector&lt; T &gt; *workVector):&#160;partition.cpp']\n+        ['../partition_8cpp.xhtml#a62dabb329c6aed5f62c3293a4482de77', 1, 'orderVector(gmx::ArrayRef&lt; const gmx_cgsort_t &gt; sort, gmx::ArrayRef&lt; T &gt; dataToSort, const T fillerValue, gmx::ArrayRef&lt; T &gt; sortBuffer):&#160;partition.cpp']\n     ]],\n     ['organization_248', ['organization', ['../page_simd.xhtml#autotoc_md58', 1, 'File organization'],\n         ['../page_refdata.xhtml#autotoc_md52', 1, 'Reference data organization']\n     ]],\n     ['organizemdpfile_249', ['organizemdpfile', ['../namespacegmx_1_1test.xhtml#a95d29a9c1a3348aea0efde31261482f4', 1, 'gmx::test::organizeMdpFile()'],\n         ['../classgmx_1_1test_1_1MultiSimTest.xhtml#aa343a83ca442cb66ced3c1daa04f1ee1', 1, 'gmx::test::MultiSimTest::organizeMdpFile()']\n     ]],\n@@ -724,67 +724,67 @@\n     ['outf_274', ['outf', ['../classgmx_1_1ImdSession_1_1Impl.xhtml#a418bdf83009d84dc28c7ccc0b9591bb1', 1, 'gmx::ImdSession::Impl']]],\n     ['outinit_275', ['outinit', ['../structgmx__ana__selmethod__t.xhtml#ab6f368546e7a0605669f6ffa9a4e1184', 1, 'gmx_ana_selmethod_t']]],\n     ['output_276', ['output', ['../page_trajectoryanalysisframework.xhtml#autotoc_md101', 1, 'Coordinate data output'],\n         ['../page_analysistemplate.xhtml#autotoc_md86', 1, 'Output']\n     ]],\n     ['output_20data_20analysisdata_277', ['Parallelizable Handling of Output Data (analysisdata)', ['../group__module__analysisdata.xhtml', 1, '']]],\n     ['output_20data_20handling_278', ['output data handling', ['../page_analysisdata.xhtml', 1, 'Analysis output data handling'],\n-        ['../page_energyanalysisframework.xhtml#autotoc_md90', 1, 'Output data handling'],\n-        ['../page_trajectoryanalysisframework.xhtml#autotoc_md100', 1, 'Output data handling']\n+        ['../page_trajectoryanalysisframework.xhtml#autotoc_md100', 1, 'Output data handling'],\n+        ['../page_energyanalysisframework.xhtml#autotoc_md90', 1, 'Output data handling']\n     ]],\n     ['output_2eh_279', ['output.h', ['../output_8h.xhtml', 1, '']]],\n-    ['outputadaptercontainer_280', ['outputadaptercontainer', ['../classgmx_1_1OutputAdapterContainer.xhtml#a24e4389e62ce62e3e170fd0293112ddf', 1, 'gmx::OutputAdapterContainer::OutputAdapterContainer()'],\n-        ['../classgmx_1_1OutputAdapterContainer.xhtml', 1, 'gmx::OutputAdapterContainer'],\n-        ['../classgmx_1_1OutputAdapterContainer.xhtml#aaf6aa8b1a9e26274a1184a78b28daf68', 1, 'gmx::OutputAdapterContainer::OutputAdapterContainer()']\n+    ['outputadaptercontainer_280', ['outputadaptercontainer', ['../classgmx_1_1OutputAdapterContainer.xhtml#aaf6aa8b1a9e26274a1184a78b28daf68', 1, 'gmx::OutputAdapterContainer::OutputAdapterContainer(CoordinateFileFlags abilities)'],\n+        ['../classgmx_1_1OutputAdapterContainer.xhtml#a24e4389e62ce62e3e170fd0293112ddf', 1, 'gmx::OutputAdapterContainer::OutputAdapterContainer(unsigned long abilities)'],\n+        ['../classgmx_1_1OutputAdapterContainer.xhtml', 1, 'gmx::OutputAdapterContainer']\n     ]],\n     ['outputadaptercontainer_2ecpp_281', ['outputadaptercontainer.cpp', ['../tests_2outputadaptercontainer_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../outputadaptercontainer_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['outputadaptercontainer_2eh_282', ['outputadaptercontainer.h', ['../outputadaptercontainer_8h.xhtml', 1, '']]],\n     ['outputadapterpointer_283', ['OutputAdapterPointer', ['../namespacegmx.xhtml#a931d7c3f10f668b68f3307c9a23aac82', 1, 'gmx']]],\n     ['outputadapters_2ecpp_284', ['outputadapters.cpp', ['../outputadapters_8cpp.xhtml', 1, '']]],\n-    ['outputadapters_2eh_285', ['outputadapters.h', ['../tests_2outputadapters_8h.xhtml', 1, '(Global Namespace)'],\n-        ['../outputadapters_8h.xhtml', 1, '(Global Namespace)']\n+    ['outputadapters_2eh_285', ['outputadapters.h', ['../outputadapters_8h.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2outputadapters_8h.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['outputbuffer_286', ['outputbuffer', ['../structgmx_1_1nbnxn__atomdata__t.xhtml#a6bde4c4dc88ba22650ae13cb977bfffd', 1, 'gmx::nbnxn_atomdata_t::outputBuffer(int thread)'],\n         ['../structgmx_1_1nbnxn__atomdata__t.xhtml#a844a4b89e2ec0a9150dd46960e998744', 1, 'gmx::nbnxn_atomdata_t::outputBuffer(int thread) const']\n     ]],\n     ['outputbuffers_287', ['outputBuffers', ['../structgmx_1_1nbnxn__atomdata__t.xhtml#a13e67345005e7b132821c867340d881d', 1, 'gmx::nbnxn_atomdata_t']]],\n     ['outputenv_5f_288', ['outputEnv_', ['../classgmx_1_1SimulatorEnv.xhtml#aa1aa20355975f59f3a92ff3e3b6926e3', 1, 'gmx::SimulatorEnv']]],\n-    ['outputfile_289', ['outputfile', ['../classgmx_1_1FileNameOption.xhtml#a80e635f1f2b0eac13821b49a09a16936', 1, 'gmx::FileNameOption::outputFile()'],\n+    ['outputfile_289', ['outputfile', ['../classOutputFile.xhtml', 1, 'OutputFile'],\n         ['../structgmx_1_1NbnxmKernelBenchOptions.xhtml#ac25520de7a467ddeec04197c1b5396c9', 1, 'gmx::NbnxmKernelBenchOptions::outputFile'],\n         ['../classOutputFile.xhtml#ac7a960d433c068b45d1a4d69db2afab4', 1, 'OutputFile::OutputFile()'],\n+        ['../classgmx_1_1TrajectoryFileOpener.xhtml#a95a59e0ec86cab7744c655097d17b211', 1, 'gmx::TrajectoryFileOpener::outputFile()'],\n         ['../classgmx_1_1HelpWriterContext.xhtml#a655c0f595a738d56078de302e756840d', 1, 'gmx::HelpWriterContext::outputFile()'],\n-        ['../classOutputFile.xhtml', 1, 'OutputFile'],\n-        ['../classgmx_1_1TrajectoryFileOpener.xhtml#a95a59e0ec86cab7744c655097d17b211', 1, 'gmx::TrajectoryFileOpener::outputFile()']\n+        ['../classgmx_1_1FileNameOption.xhtml#a80e635f1f2b0eac13821b49a09a16936', 1, 'gmx::FileNameOption::outputFile()']\n     ]],\n     ['outputfiles_290', ['outputFiles', ['../classgmx_1_1anonymous__namespace_02handlerestart_8cpp_03_1_1StartingBehaviorHandler.xhtml#a9e9db68654dfa6a3ab2e55fc02a5457f', 1, 'gmx::anonymous_namespace{handlerestart.cpp}::StartingBehaviorHandler']]],\n     ['outputfiles_2ecpp_291', ['outputfiles.cpp', ['../outputfiles_8cpp.xhtml', 1, '']]],\n     ['outputfilestestparams_292', ['OutputFilesTestParams', ['../namespacegmx_1_1test_1_1anonymous__namespace_02outputfiles_8cpp_03.xhtml#a8a8f20526e2ec669992bc40c061b1045', 1, 'gmx::test::anonymous_namespace{outputfiles.cpp}']]],\n     ['outputfiletype_293', ['OutputFileType', ['../namespaceanonymous__namespace_02gmx__awh_8cpp_03.xhtml#a0d9fdb0da3e9c99ad58a3e02bcd01fbc', 1, 'anonymous_namespace{gmx_awh.cpp}']]],\n     ['outputforces_294', ['outputForces', ['../classgmx_1_1ImdSession_1_1Impl.xhtml#a52c053d2f484872840df51fd76eb07d1', 1, 'gmx::ImdSession::Impl']]],\n     ['outputformat_295', ['outputFormat', ['../classgmx_1_1HelpWriterContext.xhtml#a6a6f292ac89470c9070141d96ce46213', 1, 'gmx::HelpWriterContext']]],\n     ['outputparametergeneratorfunction_296', ['OutputParameterGeneratorFunction', ['../namespacegmx_1_1test.xhtml#a4d3f74cfb6fe86190ac6944586d98cc2', 1, 'gmx::test']]],\n     ['outputparameters_297', ['outputParameters', ['../namespacegmx_1_1test.xhtml#af69e1aa96a402756bc085f8c0e4a6e3e', 1, 'gmx::test']]],\n-    ['outputprovider_298', ['outputprovider', ['../classgmx_1_1MDModules.xhtml#a72cb582ed6d59671da41c5f022338668', 1, 'gmx::MDModules::outputProvider()'],\n+    ['outputprovider_298', ['outputprovider', ['../classgmx_1_1anonymous__namespace_02densityfitting_8cpp_03_1_1DensityFitting.xhtml#ac11d6a709c42d71c5d21c183274c2305', 1, 'gmx::anonymous_namespace{densityfitting.cpp}::DensityFitting::outputProvider()'],\n+        ['../classgmx_1_1RestraintMDModule.xhtml#afe126d08665a6d3ccd32c3f569476d52', 1, 'gmx::RestraintMDModule::outputProvider()'],\n+        ['../classgmx_1_1IMDModule.xhtml#a489c0cac9c871a0f1cc0a95f7a52bc0b', 1, 'gmx::IMDModule::outputProvider()'],\n+        ['../classgmx_1_1MDModules.xhtml#a72cb582ed6d59671da41c5f022338668', 1, 'gmx::MDModules::outputProvider()'],\n         ['../classgmx_1_1anonymous__namespace_02qmmm_8cpp_03_1_1QMMM.xhtml#afbe4b4f15f2fb51dec87524400c3679b', 1, 'gmx::anonymous_namespace{qmmm.cpp}::QMMM::outputProvider()'],\n         ['../classgmx_1_1anonymous__namespace_02plumedMDModule__stub_8cpp_03_1_1PlumedMDModule.xhtml#a6b9f0c069a221b101096f9f68f29c803', 1, 'gmx::anonymous_namespace{plumedMDModule_stub.cpp}::PlumedMDModule::outputProvider()'],\n         ['../classgmx_1_1anonymous__namespace_02plumedMDModule_8cpp_03_1_1PlumedMDModule.xhtml#ad55fe10b4200308446752ca7e9ff43c9', 1, 'gmx::anonymous_namespace{plumedMDModule.cpp}::PlumedMDModule::outputProvider()'],\n         ['../classgmx_1_1anonymous__namespace_02nnpot_8cpp_03_1_1NNPotMDModule.xhtml#a60708733d18b2a18c189f54be32b3d1f', 1, 'gmx::anonymous_namespace{nnpot.cpp}::NNPotMDModule::outputProvider()'],\n         ['../classgmx_1_1anonymous__namespace_02electricfield_8cpp_03_1_1ElectricField.xhtml#a8626e0c00a59d28fb747cd2fee362be1', 1, 'gmx::anonymous_namespace{electricfield.cpp}::ElectricField::outputProvider()'],\n-        ['../classgmx_1_1anonymous__namespace_02densityfitting_8cpp_03_1_1DensityFitting.xhtml#ac11d6a709c42d71c5d21c183274c2305', 1, 'gmx::anonymous_namespace{densityfitting.cpp}::DensityFitting::outputProvider()'],\n         ['../classgmx_1_1anonymous__namespace_02colvarsMDModule__stub_8cpp_03_1_1ColvarsMDModule.xhtml#a7dfc4b65e317135bf9116ae6a82e1417', 1, 'gmx::anonymous_namespace{colvarsMDModule_stub.cpp}::ColvarsMDModule::outputProvider()'],\n-        ['../classgmx_1_1IMDModule.xhtml#a489c0cac9c871a0f1cc0a95f7a52bc0b', 1, 'gmx::IMDModule::outputProvider()'],\n-        ['../classgmx_1_1RestraintMDModule.xhtml#afe126d08665a6d3ccd32c3f569476d52', 1, 'gmx::RestraintMDModule::outputProvider()'],\n         ['../classgmx_1_1anonymous__namespace_02colvarsMDModule_8cpp_03_1_1ColvarsMDModule.xhtml#a62758ceddf7643d6d4ff2f29a53daae4', 1, 'gmx::anonymous_namespace{colvarsMDModule.cpp}::ColvarsMDModule::outputProvider()']\n     ]],\n     ['outputprovider_5f_299', ['outputProvider_', ['../classgmx_1_1LegacySimulatorData.xhtml#a189bb18d1e119b20ee50a8573240c1a6', 1, 'gmx::LegacySimulatorData']]],\n-    ['outputquantities_300', ['outputquantities', ['../structgmx_1_1test_1_1anonymous__namespace_02pairs_8cpp_03_1_1OutputQuantities.xhtml', 1, 'gmx::test::anonymous_namespace{pairs.cpp}::OutputQuantities'],\n-        ['../structgmx_1_1test_1_1anonymous__namespace_02bonded_8cpp_03_1_1OutputQuantities.xhtml', 1, 'gmx::test::anonymous_namespace{bonded.cpp}::OutputQuantities'],\n-        ['../structgmx_1_1test_1_1anonymous__namespace_02nb__free__energy_8cpp_03_1_1OutputQuantities.xhtml', 1, 'gmx::test::anonymous_namespace{nb_free_energy.cpp}::OutputQuantities']\n+    ['outputquantities_300', ['outputquantities', ['../structgmx_1_1test_1_1anonymous__namespace_02nb__free__energy_8cpp_03_1_1OutputQuantities.xhtml', 1, 'gmx::test::anonymous_namespace{nb_free_energy.cpp}::OutputQuantities'],\n+        ['../structgmx_1_1test_1_1anonymous__namespace_02pairs_8cpp_03_1_1OutputQuantities.xhtml', 1, 'gmx::test::anonymous_namespace{pairs.cpp}::OutputQuantities'],\n+        ['../structgmx_1_1test_1_1anonymous__namespace_02bonded_8cpp_03_1_1OutputQuantities.xhtml', 1, 'gmx::test::anonymous_namespace{bonded.cpp}::OutputQuantities']\n     ]],\n     ['outputrequirementoptiondirector_301', ['OutputRequirementOptionDirector', ['../classgmx_1_1OutputRequirementOptionDirector.xhtml', 1, 'gmx']]],\n     ['outputrequirements_302', ['OutputRequirements', ['../structgmx_1_1OutputRequirements.xhtml', 1, 'gmx']]],\n     ['outputrootentry_5f_303', ['outputrootentry_', ['../classgmx_1_1test_1_1internal_1_1TestReferenceDataImpl.xhtml#a4e8eac53ae3b582467529619b38399a8', 1, 'gmx::test::internal::TestReferenceDataImpl::outputRootEntry_'],\n         ['../classgmx_1_1test_1_1TestReferenceChecker_1_1Impl.xhtml#a0a3b479f7489afaa61e604660a15ae19', 1, 'gmx::test::TestReferenceChecker::Impl::outputRootEntry_']\n     ]],\n     ['outputselector_304', ['outputselector', ['../classgmx_1_1OutputSelector.xhtml', 1, 'gmx::OutputSelector'],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_13.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_13.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -26,41 +26,41 @@\n     ['paddedconstarrayref_16', ['paddedConstArrayRef', ['../classgmx_1_1ArrayRefWithPadding.xhtml#a3b87c53ddcde85eccd59b62fafc2fec3', 1, 'gmx::ArrayRefWithPadding']]],\n     ['paddedhostvector_17', ['paddedhostvector', ['../namespacegmx.xhtml#a5ec47a61b30ffcc249cc27ae5ea47da8', 1, 'gmx::PaddedHostVector'],\n         ['../state_8h.xhtml#ac8c51716c19f5f58463e856c19b39acb', 1, 'PaddedHostVector:&#160;state.h']\n     ]],\n     ['paddednumatomsincolumn_18', ['paddedNumAtomsInColumn', ['../classgmx_1_1Grid.xhtml#a637b80833171b976e901a62e23fb80a2', 1, 'gmx::Grid']]],\n     ['paddedsize_19', ['paddedSize', ['../classgmx_1_1PaddedVector.xhtml#aa3d1b552af6106d1bb61426b4605add3', 1, 'gmx::PaddedVector']]],\n     ['paddedvector_20', ['paddedvector', ['../classgmx_1_1PaddedVector.xhtml#ac090f26229cc0e5ca4cf4f70d500dd9e', 1, 'gmx::PaddedVector::PaddedVector(size_type count, value_type const &amp;v, const allocator_type &amp;allocator=Allocator())'],\n+        ['../classgmx_1_1PaddedVector.xhtml#a8a5f5975b2207677f1e956060b02c1d2', 1, 'gmx::PaddedVector::PaddedVector(allocator_type const &amp;allocator)'],\n         ['../classgmx_1_1PaddedVector.xhtml#aae517037a7e2a04806a72deffe661437', 1, 'gmx::PaddedVector::PaddedVector(std::initializer_list&lt; value_type &gt; const &amp;il)'],\n         ['../classgmx_1_1PaddedVector.xhtml#af634e58ae15af112df64a6e9f42a5460', 1, 'gmx::PaddedVector::PaddedVector(PaddedVector &amp;&amp;o, const Allocator &amp;alloc) noexcept'],\n-        ['../classgmx_1_1PaddedVector.xhtml#a99f036b6e7ea821ab24604474748c8f6', 1, 'gmx::PaddedVector::PaddedVector(PaddedVector &amp;&amp;o) noexcept'],\n         ['../classgmx_1_1PaddedVector.xhtml#ae8d292225db685d912d5be8f26d32d2d', 1, 'gmx::PaddedVector::PaddedVector(size_type count, const allocator_type &amp;allocator=Allocator())'],\n-        ['../classgmx_1_1PaddedVector.xhtml#a8a5f5975b2207677f1e956060b02c1d2', 1, 'gmx::PaddedVector::PaddedVector(allocator_type const &amp;allocator)'],\n         ['../classgmx_1_1PaddedVector.xhtml#a1455b09f0cb0dd2b5f6ff5b092ecea08', 1, 'gmx::PaddedVector::PaddedVector(PaddedVector const &amp;o)'],\n+        ['../classgmx_1_1PaddedVector.xhtml#a99f036b6e7ea821ab24604474748c8f6', 1, 'gmx::PaddedVector::PaddedVector(PaddedVector &amp;&amp;o) noexcept'],\n         ['../classgmx_1_1PaddedVector.xhtml', 1, 'gmx::PaddedVector&lt; T, Allocator &gt;']\n     ]],\n     ['paddedvector_2ecpp_21', ['paddedvector.cpp', ['../paddedvector_8cpp.xhtml', 1, '']]],\n     ['paddedvector_2eh_22', ['paddedvector.h', ['../paddedvector_8h.xhtml', 1, '']]],\n     ['paddedvector_3c_20gmx_3a_3abasicvector_20_3e_23', ['PaddedVector&lt; gmx::BasicVector &gt;', ['../classgmx_1_1PaddedVector.xhtml', 1, 'gmx']]],\n     ['paddedvector_3c_20real_20_3e_24', ['PaddedVector&lt; real &gt;', ['../classgmx_1_1PaddedVector.xhtml', 1, 'gmx']]],\n     ['paddedvector_3c_20rvec_20_3e_25', ['PaddedVector&lt; RVec &gt;', ['../classgmx_1_1PaddedVector.xhtml', 1, 'gmx']]],\n     ['paddedvectortest_26', ['PaddedVectorTest', ['../classgmx_1_1test_1_1PaddedVectorTest.xhtml', 1, 'gmx::test']]],\n     ['padding_27', ['padding', ['../structgmx_1_1BoundingBox_1_1Corner.xhtml#a74a1c9cb3020fc75e8a7afe9c7047d7b', 1, 'gmx::BoundingBox::Corner']]],\n     ['paddingtraits_28', ['PaddingTraits', ['../structgmx_1_1detail_1_1PaddingTraits.xhtml', 1, 'gmx::detail']]],\n     ['pagealignedallocationpolicy_29', ['PageAlignedAllocationPolicy', ['../classgmx_1_1PageAlignedAllocationPolicy.xhtml', 1, 'gmx']]],\n     ['pagealignedallocator_30', ['PageAlignedAllocator', ['../namespacegmx.xhtml#af01c69345463ebb433d1fedfd356b74a', 1, 'gmx']]],\n     ['pagesize_31', ['pageSize', ['../namespacegmx.xhtml#a41f63c30185ee31c10a30e46b7d53f9d', 1, 'gmx']]],\n-    ['pair_32', ['pair', ['../namespacegmx.xhtml#ad4174b02d2bfb10e8538d4844ecc6f81ad0bd662806a73209a1c6fbe55591fbff', 1, 'gmx::Pair'],\n-        ['../structgmx_1_1anonymous__namespace_02domainpaircomm_8cpp_03_1_1DistancesSquared.xhtml#af1e781c15cbc8b00f520c621ef583b1a', 1, 'gmx::anonymous_namespace{domainpaircomm.cpp}::DistancesSquared::pair'],\n-        ['../structgmx_1_1nbnxn__excl__t.xhtml#a6a392653c71a1a8e133e2855d5cab556', 1, 'gmx::nbnxn_excl_t::pair']\n+    ['pair_32', ['pair', ['../structgmx_1_1anonymous__namespace_02domainpaircomm_8cpp_03_1_1DistancesSquared.xhtml#af1e781c15cbc8b00f520c621ef583b1a', 1, 'gmx::anonymous_namespace{domainpaircomm.cpp}::DistancesSquared::pair'],\n+        ['../structgmx_1_1nbnxn__excl__t.xhtml#a6a392653c71a1a8e133e2855d5cab556', 1, 'gmx::nbnxn_excl_t::pair'],\n+        ['../namespacegmx.xhtml#ad4174b02d2bfb10e8538d4844ecc6f81ad0bd662806a73209a1c6fbe55591fbff', 1, 'gmx::Pair']\n     ]],\n     ['pair_20interactions_33', ['Non-bonded pair interactions', ['../group__module__nbnxm.xhtml', 1, '']]],\n     ['paircountwithincutoff_34', ['pairCountWithinCutoff', ['../namespacegmx.xhtml#a246c6fa4555b021df975ad1b7f7697c2', 1, 'gmx']]],\n-    ['pairdist_2ecpp_35', ['pairdist.cpp', ['../tests_2pairdist_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../modules_2pairdist_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['pairdist_2ecpp_35', ['pairdist.cpp', ['../modules_2pairdist_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2pairdist_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['pairdist_2eh_36', ['pairdist.h', ['../pairdist_8h.xhtml', 1, '']]],\n     ['pairdistance_37', ['PairDistance', ['../classgmx_1_1analysismodules_1_1anonymous__namespace_02pairdist_8cpp_03_1_1PairDistance.xhtml', 1, 'gmx::analysismodules::anonymous_namespace{pairdist.cpp}']]],\n     ['pairdistancemoduledata_38', ['pairdistancemoduledata', ['../classgmx_1_1analysismodules_1_1anonymous__namespace_02pairdist_8cpp_03_1_1PairDistanceModuleData.xhtml#aee31955e41d398a1738d90c17b9448d7', 1, 'gmx::analysismodules::anonymous_namespace{pairdist.cpp}::PairDistanceModuleData::PairDistanceModuleData()'],\n         ['../classgmx_1_1analysismodules_1_1anonymous__namespace_02pairdist_8cpp_03_1_1PairDistanceModuleData.xhtml', 1, 'gmx::analysismodules::anonymous_namespace{pairdist.cpp}::PairDistanceModuleData']\n     ]],\n     ['pairdistancemoduletest_39', ['PairDistanceModuleTest', ['../namespacegmx_1_1test_1_1anonymous__namespace_02pairdist_8cpp_03.xhtml#a3af93fde09ff573ac749dad72cae4b39', 1, 'gmx::test::anonymous_namespace{pairdist.cpp}']]],\n@@ -68,49 +68,49 @@\n     ['pairhash_41', ['pairHash', ['../structgmx_1_1pairHash.xhtml', 1, 'gmx']]],\n     ['pairlist_2ecpp_42', ['pairlist.cpp', ['../tests_2pairlist_8cpp.xhtml', 1, '']]],\n     ['pairlist_5fimask_2eh_43', ['pairlist_imask.h', ['../pairlist__imask_8h.xhtml', 1, '']]],\n     ['pairlist_5fsimd_5fkernel_2ecpp_44', ['pairlist_simd_kernel.cpp', ['../pairlist__simd__kernel_8cpp.xhtml', 1, '']]],\n     ['pairlist_5fsimd_5fkernel_2eh_45', ['pairlist_simd_kernel.h', ['../pairlist__simd__kernel_8h.xhtml', 1, '']]],\n     ['pairlist_5ftuning_2ecpp_46', ['pairlist_tuning.cpp', ['../pairlist__tuning_8cpp.xhtml', 1, '']]],\n     ['pairlist_5ftuning_2eh_47', ['pairlist_tuning.h', ['../pairlist__tuning_8h.xhtml', 1, '']]],\n-    ['pairlistcutoff_48', ['pairlistcutoff', ['../structgmx_1_1NbnxmKernelBenchOptions.xhtml#a2023ee62d6b1a45f5cc8bce187330699', 1, 'gmx::NbnxmKernelBenchOptions::pairlistCutoff'],\n-        ['../structgmx_1_1test_1_1anonymous__namespace_02kernel__test_8cpp_03_1_1KernelOptions.xhtml#a99a1005d4246403b05b8dee487944485', 1, 'gmx::test::anonymous_namespace{kernel_test.cpp}::KernelOptions::pairlistCutoff']\n+    ['pairlistcutoff_48', ['pairlistcutoff', ['../structgmx_1_1test_1_1anonymous__namespace_02kernel__test_8cpp_03_1_1KernelOptions.xhtml#a99a1005d4246403b05b8dee487944485', 1, 'gmx::test::anonymous_namespace{kernel_test.cpp}::KernelOptions::pairlistCutoff'],\n+        ['../structgmx_1_1NbnxmKernelBenchOptions.xhtml#a2023ee62d6b1a45f5cc8bce187330699', 1, 'gmx::NbnxmKernelBenchOptions::pairlistCutoff']\n     ]],\n     ['pairlistinnerradius_49', ['pairlistInnerRadius', ['../structgmx_1_1nonbonded__verlet__t.xhtml#a51c4a118964f4b5213facfd765f76243', 1, 'gmx::nonbonded_verlet_t']]],\n     ['pairlistissimple_50', ['pairlistIsSimple', ['../structgmx_1_1nonbonded__verlet__t.xhtml#a26c1965627a134ffaf8dc77448ae7f43', 1, 'gmx::nonbonded_verlet_t']]],\n     ['pairlistouterradius_51', ['pairlistOuterRadius', ['../structgmx_1_1nonbonded__verlet__t.xhtml#a6d5f189da301555a408b19e4b782eb15', 1, 'gmx::nonbonded_verlet_t']]],\n-    ['pairlistparams_52', ['pairlistparams', ['../structgmx_1_1PairlistParams.xhtml', 1, 'gmx::PairlistParams'],\n-        ['../structgmx_1_1PairlistParams.xhtml#a5e50f9cb2a367fff511bb6fceb102545', 1, 'gmx::PairlistParams::PairlistParams()']\n+    ['pairlistparams_52', ['pairlistparams', ['../structgmx_1_1PairlistParams.xhtml#a5e50f9cb2a367fff511bb6fceb102545', 1, 'gmx::PairlistParams::PairlistParams()'],\n+        ['../structgmx_1_1PairlistParams.xhtml', 1, 'gmx::PairlistParams']\n     ]],\n     ['pairlistparams_2ecpp_53', ['pairlistparams.cpp', ['../pairlistparams_8cpp.xhtml', 1, '']]],\n     ['pairlistparams_2eh_54', ['pairlistparams.h', ['../pairlistparams_8h.xhtml', 1, '']]],\n-    ['pairlistset_55', ['pairlistset', ['../classgmx_1_1PairlistSets.xhtml#a0f73ad8dba4b6b59d20f9488611e1efc', 1, 'gmx::PairlistSets::pairlistSet()'],\n-        ['../classgmx_1_1PairlistSet.xhtml#ae43d2e1d2818c66c47426aa57f40c09b', 1, 'gmx::PairlistSet::PairlistSet()'],\n-        ['../classgmx_1_1PairlistSet.xhtml', 1, 'gmx::PairlistSet']\n+    ['pairlistset_55', ['pairlistset', ['../classgmx_1_1PairlistSet.xhtml', 1, 'gmx::PairlistSet'],\n+        ['../classgmx_1_1PairlistSets.xhtml#a0f73ad8dba4b6b59d20f9488611e1efc', 1, 'gmx::PairlistSets::pairlistSet()'],\n+        ['../classgmx_1_1PairlistSet.xhtml#ae43d2e1d2818c66c47426aa57f40c09b', 1, 'gmx::PairlistSet::PairlistSet()']\n     ]],\n     ['pairlistset_2ecpp_56', ['pairlistset.cpp', ['../pairlistset_8cpp.xhtml', 1, '']]],\n     ['pairlistset_2eh_57', ['pairlistset.h', ['../pairlistset_8h.xhtml', 1, '']]],\n-    ['pairlistsets_58', ['pairlistsets', ['../classgmx_1_1PairlistSets.xhtml', 1, 'gmx::PairlistSets'],\n-        ['../structgmx_1_1nonbonded__verlet__t.xhtml#aeb0b1a81cdebaac68841abd89635e084', 1, 'gmx::nonbonded_verlet_t::pairlistSets()'],\n-        ['../classgmx_1_1PairlistSets.xhtml#a9375364a83138eae955b23cd199fd891', 1, 'gmx::PairlistSets::PairlistSets()']\n+    ['pairlistsets_58', ['pairlistsets', ['../structgmx_1_1nonbonded__verlet__t.xhtml#aeb0b1a81cdebaac68841abd89635e084', 1, 'gmx::nonbonded_verlet_t::pairlistSets()'],\n+        ['../classgmx_1_1PairlistSets.xhtml#a9375364a83138eae955b23cd199fd891', 1, 'gmx::PairlistSets::PairlistSets()'],\n+        ['../classgmx_1_1PairlistSets.xhtml', 1, 'gmx::PairlistSets']\n     ]],\n     ['pairlistsets_2eh_59', ['pairlistsets.h', ['../pairlistsets_8h.xhtml', 1, '']]],\n-    ['pairlisttype_60', ['pairlisttype', ['../namespacegmx.xhtml#a988b986d35cacb4d435767ea6c57a0b5', 1, 'gmx::PairlistType'],\n-        ['../structgmx_1_1PairlistParams.xhtml#a2c83e42e8b3694d16f22bf12c5d9f7e2', 1, 'gmx::PairlistParams::pairlistType']\n+    ['pairlisttype_60', ['pairlisttype', ['../structgmx_1_1PairlistParams.xhtml#a2c83e42e8b3694d16f22bf12c5d9f7e2', 1, 'gmx::PairlistParams::pairlistType'],\n+        ['../namespacegmx.xhtml#a988b986d35cacb4d435767ea6c57a0b5', 1, 'gmx::PairlistType']\n     ]],\n     ['pairlisttype_5f_61', ['pairlistType_', ['../structgmx_1_1Grid_1_1Geometry.xhtml#a8ded14d0f33cf006304ac9a707cbef4a', 1, 'gmx::Grid::Geometry']]],\n     ['pairlistwork_2ecpp_62', ['pairlistwork.cpp', ['../pairlistwork_8cpp.xhtml', 1, '']]],\n     ['pairlistwork_2eh_63', ['pairlistwork.h', ['../pairlistwork_8h.xhtml', 1, '']]],\n     ['pairs_64', ['Pairs', ['../classListedForces.xhtml#a73e4fa54dfd332da42036d5ae893da47aa07a589a90362b3346324844a3ad87ff', 1, 'ListedForces']]],\n     ['pairs_2ecpp_65', ['pairs.cpp', ['../tests_2pairs_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../pairs_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['pairs_2eh_66', ['pairs.h', ['../pairs_8h.xhtml', 1, '']]],\n-    ['pairsearch_67', ['pairsearch', ['../classgmx_1_1PairSearch.xhtml', 1, 'gmx::PairSearch'],\n-        ['../classgmx_1_1PairSearch.xhtml#ac9f08e8fa6d40c6761e97e8b2839e23e', 1, 'gmx::PairSearch::PairSearch()']\n+    ['pairsearch_67', ['pairsearch', ['../classgmx_1_1PairSearch.xhtml#ac9f08e8fa6d40c6761e97e8b2839e23e', 1, 'gmx::PairSearch::PairSearch()'],\n+        ['../classgmx_1_1PairSearch.xhtml', 1, 'gmx::PairSearch']\n     ]],\n     ['pairsearch_2ecpp_68', ['pairsearch.cpp', ['../pairsearch_8cpp.xhtml', 1, '']]],\n     ['pairsearch_2eh_69', ['pairsearch.h', ['../pairsearch_8h.xhtml', 1, '']]],\n     ['pairsearchcoordinates_70', ['pairSearchCoordinates', ['../classanonymous__namespace_02minimize_8cpp_03_1_1EnergyEvaluator.xhtml#af18643a5c0d8729b32e688d45fd7f8ca', 1, 'anonymous_namespace{minimize.cpp}::EnergyEvaluator']]],\n     ['pairsearchwork_71', ['PairsearchWork', ['../structgmx_1_1PairsearchWork.xhtml', 1, 'gmx']]],\n     ['paragraphbreak_72', ['paragraphBreak', ['../classgmx_1_1HelpWriterContext.xhtml#a6c24ca1470b3addda69ae236a6ea66b2', 1, 'gmx::HelpWriterContext']]],\n     ['parallel_5f3dfft_5fexecute_5fgpu_5fwrapper_73', ['parallel_3dfft_execute_gpu_wrapper', ['../pme__gpu_8cpp.xhtml#a13b15b5d3a7003ff0dfdba02aadbc97e', 1, 'pme_gpu.cpp']]],\n@@ -128,33 +128,33 @@\n     ['parallelization_20over_20mpi_78', ['Spatial domain decomposition (for parallelization over MPI)', ['../group__module__domdec.xhtml', 1, '']]],\n     ['parallelizationfactor_79', ['parallelizationFactor', ['../classgmx_1_1AnalysisDataParallelOptions.xhtml#ad581353e29513839c7ab04f429f50b61', 1, 'gmx::AnalysisDataParallelOptions']]],\n     ['paralleloptions_2eh_80', ['paralleloptions.h', ['../paralleloptions_8h.xhtml', 1, '']]],\n     ['parallelselection_81', ['parallelSelection', ['../classgmx_1_1TrajectoryAnalysisModuleData.xhtml#a4e23dbf4cfd2554ac011664b49c1c7e0', 1, 'gmx::TrajectoryAnalysisModuleData']]],\n     ['parallelselections_82', ['parallelSelections', ['../classgmx_1_1TrajectoryAnalysisModuleData.xhtml#a4ffe3dec6ef34ae7e6af7a46b9fc7d0b', 1, 'gmx::TrajectoryAnalysisModuleData']]],\n     ['param_83', ['param', ['../classgmx_1_1TabulatedNormalDistribution.xhtml#ace6c727298fe514a14a114f41d00e206', 1, 'gmx::TabulatedNormalDistribution::param()'],\n         ['../classgmx_1_1UniformRealDistribution.xhtml#a267faab6d4cd2e017603fe0f73500c38', 1, 'gmx::UniformRealDistribution::param()'],\n+        ['../classgmx_1_1UniformIntDistribution.xhtml#a843c35d5997b5075c35125a57cd6b937', 1, 'gmx::UniformIntDistribution::param()'],\n         ['../classgmx_1_1NormalDistribution.xhtml#adaa8c7d5f4803f33e80d1811aa0af1f8', 1, 'gmx::NormalDistribution::param()'],\n         ['../classgmx_1_1SelectionTreeElement.xhtml#a0b4956164b6ed61094a550099fa90d3b', 1, 'gmx::SelectionTreeElement::param'],\n-        ['../structgmx__ana__selmethod__t.xhtml#afd48ccc940b2c37d46c65bbeb5fb7ff3', 1, 'gmx_ana_selmethod_t::param'],\n-        ['../classgmx_1_1ExponentialDistribution.xhtml#ac5071065401d78716721b2d8512b9f75', 1, 'gmx::ExponentialDistribution::param()'],\n         ['../classgmx_1_1GammaDistribution.xhtml#a35f0e16a9da71056786953c5095ae334', 1, 'gmx::GammaDistribution::param()'],\n-        ['../classgmx_1_1UniformIntDistribution.xhtml#a843c35d5997b5075c35125a57cd6b937', 1, 'gmx::UniformIntDistribution::param()']\n+        ['../classgmx_1_1ExponentialDistribution.xhtml#ac5071065401d78716721b2d8512b9f75', 1, 'gmx::ExponentialDistribution::param()'],\n+        ['../structgmx__ana__selmethod__t.xhtml#afd48ccc940b2c37d46c65bbeb5fb7ff3', 1, 'gmx_ana_selmethod_t::param']\n     ]],\n-    ['param_5ftype_84', ['param_type', ['../classgmx_1_1GammaDistribution_1_1param__type.xhtml#a945429fd633cd59c2850bf7cd70d88d5', 1, 'gmx::GammaDistribution::param_type::param_type()'],\n-        ['../classgmx_1_1NormalDistribution_1_1param__type.xhtml#a479bbfe6aea453e1b93fb6c46b2a586a', 1, 'gmx::NormalDistribution::param_type::param_type()'],\n-        ['../classgmx_1_1TabulatedNormalDistribution_1_1param__type.xhtml#a6aa16740324937c7444c04eb52ed1a2a', 1, 'gmx::TabulatedNormalDistribution::param_type::param_type()'],\n-        ['../classgmx_1_1UniformIntDistribution_1_1param__type.xhtml#a3c7af41da301591eda86b7f17f68d5e2', 1, 'gmx::UniformIntDistribution::param_type::param_type()'],\n-        ['../classgmx_1_1UniformRealDistribution_1_1param__type.xhtml#a075c414de6d852b230fcf3090828c0ae', 1, 'gmx::UniformRealDistribution::param_type::param_type()'],\n-        ['../classgmx_1_1TabulatedNormalDistribution_1_1param__type.xhtml', 1, 'gmx::TabulatedNormalDistribution&lt; RealType, tableBits &gt;::param_type'],\n-        ['../classgmx_1_1ExponentialDistribution_1_1param__type.xhtml#a9da3288cf64135c00f1d8b4f9886e6bc', 1, 'gmx::ExponentialDistribution::param_type::param_type()'],\n-        ['../classgmx_1_1NormalDistribution_1_1param__type.xhtml', 1, 'gmx::NormalDistribution&lt; RealType &gt;::param_type'],\n+    ['param_5ftype_84', ['param_type', ['../classgmx_1_1ExponentialDistribution_1_1param__type.xhtml#a9da3288cf64135c00f1d8b4f9886e6bc', 1, 'gmx::ExponentialDistribution::param_type::param_type()'],\n+        ['../classgmx_1_1UniformRealDistribution_1_1param__type.xhtml', 1, 'gmx::UniformRealDistribution&lt; RealType &gt;::param_type'],\n         ['../classgmx_1_1UniformIntDistribution_1_1param__type.xhtml', 1, 'gmx::UniformIntDistribution&lt; IntType &gt;::param_type'],\n-        ['../classgmx_1_1GammaDistribution_1_1param__type.xhtml', 1, 'gmx::GammaDistribution&lt; RealType &gt;::param_type'],\n         ['../classgmx_1_1ExponentialDistribution_1_1param__type.xhtml', 1, 'gmx::ExponentialDistribution&lt; RealType &gt;::param_type'],\n-        ['../classgmx_1_1UniformRealDistribution_1_1param__type.xhtml', 1, 'gmx::UniformRealDistribution&lt; RealType &gt;::param_type']\n+        ['../classgmx_1_1GammaDistribution_1_1param__type.xhtml', 1, 'gmx::GammaDistribution&lt; RealType &gt;::param_type'],\n+        ['../classgmx_1_1NormalDistribution_1_1param__type.xhtml', 1, 'gmx::NormalDistribution&lt; RealType &gt;::param_type'],\n+        ['../classgmx_1_1TabulatedNormalDistribution_1_1param__type.xhtml', 1, 'gmx::TabulatedNormalDistribution&lt; RealType, tableBits &gt;::param_type'],\n+        ['../classgmx_1_1UniformRealDistribution_1_1param__type.xhtml#a075c414de6d852b230fcf3090828c0ae', 1, 'gmx::UniformRealDistribution::param_type::param_type()'],\n+        ['../classgmx_1_1UniformIntDistribution_1_1param__type.xhtml#a3c7af41da301591eda86b7f17f68d5e2', 1, 'gmx::UniformIntDistribution::param_type::param_type()'],\n+        ['../classgmx_1_1TabulatedNormalDistribution_1_1param__type.xhtml#a6aa16740324937c7444c04eb52ed1a2a', 1, 'gmx::TabulatedNormalDistribution::param_type::param_type()'],\n+        ['../classgmx_1_1NormalDistribution_1_1param__type.xhtml#a479bbfe6aea453e1b93fb6c46b2a586a', 1, 'gmx::NormalDistribution::param_type::param_type()'],\n+        ['../classgmx_1_1GammaDistribution_1_1param__type.xhtml#a945429fd633cd59c2850bf7cd70d88d5', 1, 'gmx::GammaDistribution::param_type::param_type()']\n     ]],\n     ['parameterizedmdruntestfixture_85', ['ParameterizedMdrunTestFixture', ['../classgmx_1_1test_1_1ParameterizedMdrunTestFixture.xhtml', 1, 'gmx::test']]],\n     ['parameters_86', ['parameters', ['../page_module_selection_custom.xhtml#selmethods_params', 1, 'Defining parameters'],\n         ['../namespacegmx_1_1test_1_1anonymous__namespace_02pull__rotation_8cpp_03.xhtml#af94b35600673f3744fbf6caec27ac27c', 1, 'gmx::test::anonymous_namespace{pull_rotation.cpp}::Parameters'],\n         ['../classgmx_1_1QMMMOptions.xhtml#a087e8b86cad35f25abf237869a360434', 1, 'gmx::QMMMOptions::parameters()'],\n         ['../structgmx_1_1test_1_1anonymous__namespace_02virtualsites_8cpp_03_1_1VirtualSiteTest_1_1VirtualSite.xhtml#adf8f8c60fbcbe9df7463a22e5180056e', 1, 'gmx::test::anonymous_namespace{virtualsites.cpp}::VirtualSiteTest::VirtualSite::parameters'],\n         ['../page_mdmodules.xhtml#autotoc_md7', 1, 'Storing non-mdp option module parameters']\n@@ -425,31 +425,31 @@\n         ['../classgmx_1_1anonymous__namespace_02plumedMDModule__stub_8cpp_03_1_1PlumedMDModule.xhtml', 1, 'gmx::anonymous_namespace{plumedMDModule_stub.cpp}::PlumedMDModule'],\n         ['../classgmx_1_1anonymous__namespace_02plumedMDModule_8cpp_03_1_1PlumedMDModule.xhtml', 1, 'gmx::anonymous_namespace{plumedMDModule.cpp}::PlumedMDModule']\n     ]],\n     ['plumedmdmodule_2ecpp_260', ['plumedMDModule.cpp', ['../plumedMDModule_8cpp.xhtml', 1, '']]],\n     ['plumedmdmodule_2eh_261', ['plumedMDModule.h', ['../plumedMDModule_8h.xhtml', 1, '']]],\n     ['plumedmdmodule_5fstub_2ecpp_262', ['plumedMDModule_stub.cpp', ['../plumedMDModule__stub_8cpp.xhtml', 1, '']]],\n     ['plumedmoduleinfo_263', ['PlumedModuleInfo', ['../structgmx_1_1PlumedModuleInfo.xhtml', 1, 'gmx']]],\n-    ['plumedoptions_2ecpp_264', ['plumedoptions.cpp', ['../tests_2plumedOptions_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../plumedOptions_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['plumedoptions_2ecpp_264', ['plumedoptions.cpp', ['../plumedOptions_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2plumedOptions_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['plumedoptions_2eh_265', ['plumedOptions.h', ['../plumedOptions_8h.xhtml', 1, '']]],\n-    ['pmalloc_266', ['pmalloc', ['../pmalloc__sycl_8cpp.xhtml#a3600a3a1589d7849f5b2f5ee1b54a017', 1, 'pmalloc(void **h_ptr, size_t nbytes, const DeviceContext *deviceContext):&#160;pmalloc_sycl.cpp'],\n+    ['pmalloc_266', ['pmalloc', ['../pmalloc_8cpp.xhtml#ae10570df1df68fca44040ee4a3d1a95a', 1, 'pmalloc(void **h_ptr, size_t nbytes, const DeviceContext *):&#160;pmalloc.cpp'],\n         ['../pmalloc__hip_8cpp.xhtml#ae10570df1df68fca44040ee4a3d1a95a', 1, 'pmalloc(void **h_ptr, size_t nbytes, const DeviceContext *):&#160;pmalloc_hip.cpp'],\n-        ['../pmalloc_8cpp.xhtml#ae10570df1df68fca44040ee4a3d1a95a', 1, 'pmalloc(void **h_ptr, size_t nbytes, const DeviceContext *):&#160;pmalloc.cpp']\n+        ['../pmalloc__sycl_8cpp.xhtml#a3600a3a1589d7849f5b2f5ee1b54a017', 1, 'pmalloc(void **h_ptr, size_t nbytes, const DeviceContext *deviceContext):&#160;pmalloc_sycl.cpp']\n     ]],\n     ['pmalloc_2ecpp_267', ['pmalloc.cpp', ['../pmalloc_8cpp.xhtml', 1, '']]],\n     ['pmalloc_2eh_268', ['pmalloc.h', ['../pmalloc_8h.xhtml', 1, '']]],\n     ['pmalloc_5fhip_2ecpp_269', ['pmalloc_hip.cpp', ['../pmalloc__hip_8cpp.xhtml', 1, '']]],\n     ['pmalloc_5fsycl_2ecpp_270', ['pmalloc_sycl.cpp', ['../pmalloc__sycl_8cpp.xhtml', 1, '']]],\n-    ['pme_271', ['pme', ['../namespacegmx.xhtml#a6efc2e8f104eb3699bc82c2b8984cedba4792b2e853b980eb284e82db5ad5f4d5', 1, 'gmx::Pme'],\n-        ['../namespacegmx.xhtml#a90e1f148d98685136b343e0a20d3c2e5a4792b2e853b980eb284e82db5ad5f4d5', 1, 'gmx::Pme']\n+    ['pme_271', ['pme', ['../namespacegmx.xhtml#a90e1f148d98685136b343e0a20d3c2e5a4792b2e853b980eb284e82db5ad5f4d5', 1, 'gmx::Pme'],\n+        ['../namespacegmx.xhtml#a6efc2e8f104eb3699bc82c2b8984cedba4792b2e853b980eb284e82db5ad5f4d5', 1, 'gmx::Pme']\n     ]],\n-    ['pme_2ecpp_272', ['pme.cpp', ['../pme_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2pme_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['pme_2ecpp_272', ['pme.cpp', ['../tests_2pme_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../pme_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['pme_2eh_273', ['pme.h', ['../pme_8h.xhtml', 1, '']]],\n     ['pme_5fcalc_5fpidx_274', ['pme_calc_pidx', ['../pme__redistribute_8cpp.xhtml#a7ecc9aef79380a045871dc5e00190695', 1, 'pme_redistribute.cpp']]],\n     ['pme_5fcalc_5fpidx_5fwrapper_275', ['pme_calc_pidx_wrapper', ['../pme__redistribute_8cpp.xhtml#a91aacccf9c8906e7a5d4e26131820302', 1, 'pme_redistribute.cpp']]],\n     ['pme_5fcoordinate_5freceiver_5fgpu_2eh_276', ['pme_coordinate_receiver_gpu.h', ['../pme__coordinate__receiver__gpu_8h.xhtml', 1, '']]],\n     ['pme_5fcoordinate_5freceiver_5fgpu_5fimpl_2ecpp_277', ['pme_coordinate_receiver_gpu_impl.cpp', ['../pme__coordinate__receiver__gpu__impl_8cpp.xhtml', 1, '']]],\n     ['pme_5fcoordinate_5freceiver_5fgpu_5fimpl_2eh_278', ['pme_coordinate_receiver_gpu_impl.h', ['../pme__coordinate__receiver__gpu__impl_8h.xhtml', 1, '']]],\n@@ -501,17 +501,17 @@\n     ]],\n     ['pme_5fgpu_5fcopy_5foutput_5fspread_5fatom_5fdata_304', ['pme_gpu_copy_output_spread_atom_data', ['../pme__gpu__internal_8cpp.xhtml#a5eda5784aafed0ed566c599d35eb5ad9', 1, 'pme_gpu_copy_output_spread_atom_data(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a5eda5784aafed0ed566c599d35eb5ad9', 1, 'pme_gpu_copy_output_spread_atom_data(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5fcopy_5foutput_5fspread_5fgrid_305', ['pme_gpu_copy_output_spread_grid', ['../pme__gpu__internal_8cpp.xhtml#a04419748e0f03bdc420c0a03df335ea6', 1, 'pme_gpu_copy_output_spread_grid(const PmeGpu *pmeGpu, float *h_grid, const int gridIndex):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a3a2ac9f347d7bdd0bb806cdc26a570f0', 1, 'pme_gpu_copy_output_spread_grid(const PmeGpu *pmeGpu, float *h_grid, int gridIndex=0):&#160;pme_gpu_internal.cpp']\n     ]],\n-    ['pme_5fgpu_5fdestroy_306', ['pme_gpu_destroy', ['../pme__gpu__hip__stubs_8cpp.xhtml#af165b87171cc0c262dd34bf71944277c', 1, 'pme_gpu_destroy(PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n-        ['../pme__gpu__internal_8h.xhtml#a7e5ef8957b2366acbb1eb097aa06d755', 1, 'pme_gpu_destroy(PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp'],\n-        ['../pme__gpu__internal_8cpp.xhtml#a7e5ef8957b2366acbb1eb097aa06d755', 1, 'pme_gpu_destroy(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n+    ['pme_5fgpu_5fdestroy_306', ['pme_gpu_destroy', ['../pme__gpu__internal_8h.xhtml#a7e5ef8957b2366acbb1eb097aa06d755', 1, 'pme_gpu_destroy(PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp'],\n+        ['../pme__gpu__internal_8cpp.xhtml#a7e5ef8957b2366acbb1eb097aa06d755', 1, 'pme_gpu_destroy(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n+        ['../pme__gpu__hip__stubs_8cpp.xhtml#af165b87171cc0c262dd34bf71944277c', 1, 'pme_gpu_destroy(PmeGpu *):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fdestroy_5f3dfft_307', ['pme_gpu_destroy_3dfft', ['../pme__gpu__internal_8cpp.xhtml#a04c25cffa052c81d0c7b201e40da4010', 1, 'pme_gpu_destroy_3dfft(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a04c25cffa052c81d0c7b201e40da4010', 1, 'pme_gpu_destroy_3dfft(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5ffetch_5ftiming_5fevent_308', ['pme_gpu_fetch_timing_event', ['../pme__gpu__internal_8cpp.xhtml#a6796958266d860e837119e6a0d4e6b99', 1, 'pme_gpu_internal.cpp']]],\n     ['pme_5fgpu_5ffree_5fbspline_5fvalues_309', ['pme_gpu_free_bspline_values', ['../pme__gpu__internal_8cpp.xhtml#a16accf532e5ae00a844b2ae0ba70e164', 1, 'pme_gpu_free_bspline_values(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a16accf532e5ae00a844b2ae0ba70e164', 1, 'pme_gpu_free_bspline_values(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n@@ -527,81 +527,81 @@\n     ]],\n     ['pme_5fgpu_5ffree_5ffract_5fshifts_313', ['pme_gpu_free_fract_shifts', ['../pme__gpu__internal_8cpp.xhtml#a4b9dbf91825ee5a1dcd10832622bc6cf', 1, 'pme_gpu_free_fract_shifts(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a4b9dbf91825ee5a1dcd10832622bc6cf', 1, 'pme_gpu_free_fract_shifts(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5ffree_5fgrid_5findices_314', ['pme_gpu_free_grid_indices', ['../pme__gpu__internal_8cpp.xhtml#a2686c0593219709805c75318dc6d8f0b', 1, 'pme_gpu_free_grid_indices(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a2686c0593219709805c75318dc6d8f0b', 1, 'pme_gpu_free_grid_indices(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n-    ['pme_5fgpu_5ffree_5fgrids_315', ['pme_gpu_free_grids', ['../pme__gpu__internal_8h.xhtml#a28da8afcd93cb6b68e56927b91f58971', 1, 'pme_gpu_free_grids(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__internal_8cpp.xhtml#a28da8afcd93cb6b68e56927b91f58971', 1, 'pme_gpu_free_grids(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n+    ['pme_5fgpu_5ffree_5fgrids_315', ['pme_gpu_free_grids', ['../pme__gpu__internal_8cpp.xhtml#a28da8afcd93cb6b68e56927b91f58971', 1, 'pme_gpu_free_grids(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n+        ['../pme__gpu__internal_8h.xhtml#a28da8afcd93cb6b68e56927b91f58971', 1, 'pme_gpu_free_grids(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5ffree_5fhaloexchange_316', ['pme_gpu_free_haloexchange', ['../pme__gpu__internal_8cpp.xhtml#a6d8e7601f048985c0b4d843a8ed2f3f3', 1, 'pme_gpu_free_haloexchange(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a6d8e7601f048985c0b4d843a8ed2f3f3', 1, 'pme_gpu_free_haloexchange(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5ffree_5fspline_5fdata_317', ['pme_gpu_free_spline_data', ['../pme__gpu__internal_8cpp.xhtml#a382a09cb9614bd93731406bc0dd8ed25', 1, 'pme_gpu_free_spline_data(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a382a09cb9614bd93731406bc0dd8ed25', 1, 'pme_gpu_free_spline_data(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n-    ['pme_5fgpu_5fgather_318', ['pme_gpu_gather', ['../pme__gpu__internal_8h.xhtml#a80ddac599f7d29ad255933dfa18a1c77', 1, 'pme_gpu_gather(PmeGpu *pmeGpu, gmx::ArrayRef&lt; PmeAndFftGrids &gt; h_grids, float lambda, gmx_wallcycle *wcycle, bool computeVirial):&#160;pme_gpu_hip_stubs.cpp'],\n+    ['pme_5fgpu_5fgather_318', ['pme_gpu_gather', ['../pme__gpu__hip__stubs_8cpp.xhtml#abcffdc1b9fbdfef8bce49084da15a61d', 1, 'pme_gpu_gather(PmeGpu *, gmx::ArrayRef&lt; PmeAndFftGrids &gt;, float, gmx_wallcycle *, bool):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#a8512a76e91d97929b8c346f9b66641f2', 1, 'pme_gpu_gather(PmeGpu *pmeGpu, gmx::ArrayRef&lt; PmeAndFftGrids &gt; h_grids, const float lambda, gmx_wallcycle *wcycle, bool computeVirial):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__hip__stubs_8cpp.xhtml#abcffdc1b9fbdfef8bce49084da15a61d', 1, 'pme_gpu_gather(PmeGpu *, gmx::ArrayRef&lt; PmeAndFftGrids &gt;, float, gmx_wallcycle *, bool):&#160;pme_gpu_hip_stubs.cpp']\n+        ['../pme__gpu__internal_8h.xhtml#a80ddac599f7d29ad255933dfa18a1c77', 1, 'pme_gpu_gather(PmeGpu *pmeGpu, gmx::ArrayRef&lt; PmeAndFftGrids &gt; h_grids, float lambda, gmx_wallcycle *wcycle, bool computeVirial):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fget_5fatom_5fdata_5fblock_5fsize_319', ['pme_gpu_get_atom_data_block_size', ['../pme__gpu__hip__stubs_8cpp.xhtml#aaf41967804c0c6e096a170bd42737781', 1, 'pme_gpu_get_atom_data_block_size():&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#aaf41967804c0c6e096a170bd42737781', 1, 'pme_gpu_get_atom_data_block_size():&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#aaf41967804c0c6e096a170bd42737781', 1, 'pme_gpu_get_atom_data_block_size():&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fget_5fatoms_5fper_5fwarp_320', ['pme_gpu_get_atoms_per_warp', ['../pme__gpu__hip__stubs_8cpp.xhtml#a2e649b5d018f122d49bdfcb6cc6fdad7', 1, 'pme_gpu_get_atoms_per_warp(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#aad1216680366effd5fd9a016f8abd21b', 1, 'pme_gpu_get_atoms_per_warp(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#aad1216680366effd5fd9a016f8abd21b', 1, 'pme_gpu_get_atoms_per_warp(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fget_5fblock_5fsize_321', ['pme_gpu_get_block_size', ['../pme_8h.xhtml#a4e0485171c81aa90225754c5ae3b736f', 1, 'pme_gpu_get_block_size(const gmx_pme_t *pme):&#160;pme_gpu.cpp'],\n         ['../pme__gpu_8cpp.xhtml#a4e0485171c81aa90225754c5ae3b736f', 1, 'pme_gpu_get_block_size(const gmx_pme_t *pme):&#160;pme_gpu.cpp']\n     ]],\n-    ['pme_5fgpu_5fget_5fdevice_5ff_322', ['pme_gpu_get_device_f', ['../pme__gpu_8cpp.xhtml#ae379b0dc31767216f880caf4f62862e8', 1, 'pme_gpu_get_device_f(const gmx_pme_t *pme):&#160;pme_gpu.cpp'],\n-        ['../pme_8h.xhtml#ae379b0dc31767216f880caf4f62862e8', 1, 'pme_gpu_get_device_f(const gmx_pme_t *pme):&#160;pme_gpu.cpp']\n+    ['pme_5fgpu_5fget_5fdevice_5ff_322', ['pme_gpu_get_device_f', ['../pme_8h.xhtml#ae379b0dc31767216f880caf4f62862e8', 1, 'pme_gpu_get_device_f(const gmx_pme_t *pme):&#160;pme_gpu.cpp'],\n+        ['../pme__gpu_8cpp.xhtml#ae379b0dc31767216f880caf4f62862e8', 1, 'pme_gpu_get_device_f(const gmx_pme_t *pme):&#160;pme_gpu.cpp']\n     ]],\n     ['pme_5fgpu_5fget_5ff_5fready_5fsynchronizer_323', ['pme_gpu_get_f_ready_synchronizer', ['../pme_8h.xhtml#a7ea4d088e10f0f5a5e78999c39342a1c', 1, 'pme_gpu_get_f_ready_synchronizer(const gmx_pme_t *pme):&#160;pme_gpu.cpp'],\n         ['../pme__gpu_8cpp.xhtml#a7ea4d088e10f0f5a5e78999c39342a1c', 1, 'pme_gpu_get_f_ready_synchronizer(const gmx_pme_t *pme):&#160;pme_gpu.cpp']\n     ]],\n     ['pme_5fgpu_5fget_5fforces_5fready_5fsynchronizer_324', ['pme_gpu_get_forces_ready_synchronizer', ['../pme__gpu__hip__stubs_8cpp.xhtml#a05aba625a13a6a56b6500455c5c694d0', 1, 'pme_gpu_get_forces_ready_synchronizer(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#a7ef8d526f95f670f71964754f4284b63', 1, 'pme_gpu_get_forces_ready_synchronizer(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a7ef8d526f95f670f71964754f4284b63', 1, 'pme_gpu_get_forces_ready_synchronizer(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fget_5fkernel_5fparams_5fbase_5fptr_325', ['pme_gpu_get_kernel_params_base_ptr', ['../pme__gpu__internal_8cpp.xhtml#aa2ad1e440d1af983cbfd439174464b49', 1, 'pme_gpu_internal.cpp']]],\n     ['pme_5fgpu_5fget_5fkernelparam_5fforces_326', ['pme_gpu_get_kernelparam_forces', ['../pme__gpu__hip__stubs_8cpp.xhtml#a55d139b61b461eb90585ffea67a5e9fe', 1, 'pme_gpu_get_kernelparam_forces(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#a5d2d5b755227bfbf5462f6689ca810bf', 1, 'pme_gpu_get_kernelparam_forces(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a5d2d5b755227bfbf5462f6689ca810bf', 1, 'pme_gpu_get_kernelparam_forces(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n-    ['pme_5fgpu_5fget_5freal_5fgrid_5fsizes_327', ['pme_gpu_get_real_grid_sizes', ['../pme__gpu__internal_8cpp.xhtml#a7ba882d2de50fa957af00828162dd06e', 1, 'pme_gpu_get_real_grid_sizes(const PmeGpu *pmeGpu, gmx::IVec *gridSize, gmx::IVec *paddedGridSize):&#160;pme_gpu_internal.cpp'],\n+    ['pme_5fgpu_5fget_5freal_5fgrid_5fsizes_327', ['pme_gpu_get_real_grid_sizes', ['../pme__gpu__hip__stubs_8cpp.xhtml#a83c4008ef73685e647a9339e7041f897', 1, 'pme_gpu_get_real_grid_sizes(const PmeGpu *, gmx::IVec *, gmx::IVec *):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a7ba882d2de50fa957af00828162dd06e', 1, 'pme_gpu_get_real_grid_sizes(const PmeGpu *pmeGpu, gmx::IVec *gridSize, gmx::IVec *paddedGridSize):&#160;pme_gpu_hip_stubs.cpp'],\n-        ['../pme__gpu__hip__stubs_8cpp.xhtml#a83c4008ef73685e647a9339e7041f897', 1, 'pme_gpu_get_real_grid_sizes(const PmeGpu *, gmx::IVec *, gmx::IVec *):&#160;pme_gpu_hip_stubs.cpp']\n+        ['../pme__gpu__internal_8cpp.xhtml#a7ba882d2de50fa957af00828162dd06e', 1, 'pme_gpu_get_real_grid_sizes(const PmeGpu *pmeGpu, gmx::IVec *gridSize, gmx::IVec *paddedGridSize):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5fget_5ftimings_328', ['pme_gpu_get_timings', ['../pme_8h.xhtml#aadcdbd368ce25a9899c3cab4ec895cba', 1, 'pme_gpu_get_timings(const gmx_pme_t *pme, gmx_wallclock_gpu_pme_t *timings):&#160;pme_gpu.cpp'],\n         ['../pme__gpu_8cpp.xhtml#aadcdbd368ce25a9899c3cab4ec895cba', 1, 'pme_gpu_get_timings(const gmx_pme_t *pme, gmx_wallclock_gpu_pme_t *timings):&#160;pme_gpu.cpp'],\n         ['../pme__gpu__hip__stubs_8cpp.xhtml#a85f2f2d0483eaf2d505ea368d4a46b2f', 1, 'pme_gpu_get_timings(const PmeGpu *, gmx_wallclock_gpu_pme_t *):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__timings_8cpp.xhtml#ac600d44fbeb29e467155b1b193410908', 1, 'pme_gpu_get_timings(const PmeGpu *pmeGpu, gmx_wallclock_gpu_pme_t *timings):&#160;pme_gpu_timings.cpp'],\n         ['../pme__gpu__timings_8h.xhtml#ac600d44fbeb29e467155b1b193410908', 1, 'pme_gpu_get_timings(const PmeGpu *pmeGpu, gmx_wallclock_gpu_pme_t *timings):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fgetenergyandvirial_329', ['pme_gpu_getenergyandvirial', ['../pme__gpu__hip__stubs_8cpp.xhtml#a824970c42d175c13b7da6b79724e52f1', 1, 'pme_gpu_getEnergyAndVirial(const gmx_pme_t &amp;, float, PmeOutput *):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#ad805493968044b8ea20ca896df57cee6', 1, 'pme_gpu_getEnergyAndVirial(const gmx_pme_t &amp;pme, const float lambda, PmeOutput *output):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a24c100588326826423d72c10d7d6a51a', 1, 'pme_gpu_getEnergyAndVirial(const gmx_pme_t &amp;pme, float lambda, PmeOutput *output):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fgetforceoutput_330', ['pme_gpu_getForceOutput', ['../pme__gpu__internal_8cpp.xhtml#a05a1d81709288e6ef5b2e6ad93fdd117', 1, 'pme_gpu_internal.cpp']]],\n-    ['pme_5fgpu_5fgetoutput_331', ['pme_gpu_getoutput', ['../pme__gpu__internal_8h.xhtml#aca95df16ac604534d23d6ce81dac2f14', 1, 'pme_gpu_getOutput(gmx_pme_t *pme, bool computeEnergyAndVirial, real lambdaQ):&#160;pme_gpu_hip_stubs.cpp'],\n+    ['pme_5fgpu_5fgetoutput_331', ['pme_gpu_getoutput', ['../pme__gpu__hip__stubs_8cpp.xhtml#a403d14364f55515b0b066319e3fb9081', 1, 'pme_gpu_getOutput(gmx_pme_t *, bool, real):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#acc224f03ba4e2b17d466220bf452c39c', 1, 'pme_gpu_getOutput(gmx_pme_t *pme, const bool computeEnergyAndVirial, const real lambdaQ):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__hip__stubs_8cpp.xhtml#a403d14364f55515b0b066319e3fb9081', 1, 'pme_gpu_getOutput(gmx_pme_t *, bool, real):&#160;pme_gpu_hip_stubs.cpp']\n+        ['../pme__gpu__internal_8h.xhtml#aca95df16ac604534d23d6ce81dac2f14', 1, 'pme_gpu_getOutput(gmx_pme_t *pme, bool computeEnergyAndVirial, real lambdaQ):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fgrid_2eh_332', ['pme_gpu_grid.h', ['../pme__gpu__grid_8h.xhtml', 1, '']]],\n     ['pme_5fgpu_5fgrid_5fsycl_2ecpp_333', ['pme_gpu_grid_sycl.cpp', ['../pme__gpu__grid__sycl_8cpp.xhtml', 1, '']]],\n     ['pme_5fgpu_5fhip_5fstubs_2ecpp_334', ['pme_gpu_hip_stubs.cpp', ['../pme__gpu__hip__stubs_8cpp.xhtml', 1, '']]],\n     ['pme_5fgpu_5finit_335', ['pme_gpu_init', ['../pme__gpu__internal_8cpp.xhtml#aef5228578c02553a77c64e4c9158dd32', 1, 'pme_gpu_internal.cpp']]],\n     ['pme_5fgpu_5finit_5finternal_336', ['pme_gpu_init_internal', ['../pme__gpu__internal_8cpp.xhtml#aed9a58810b26887c1710ecc3787b3e14', 1, 'pme_gpu_internal.cpp']]],\n     ['pme_5fgpu_5finternal_2ecpp_337', ['pme_gpu_internal.cpp', ['../pme__gpu__internal_8cpp.xhtml', 1, '']]],\n     ['pme_5fgpu_5finternal_2eh_338', ['pme_gpu_internal.h', ['../pme__gpu__internal_8h.xhtml', 1, '']]],\n-    ['pme_5fgpu_5flaunch_5fcomplex_5ftransforms_339', ['pme_gpu_launch_complex_transforms', ['../pme_8h.xhtml#a18436cffafce5c90be682428f197d3ef', 1, 'pme_gpu_launch_complex_transforms(gmx_pme_t *pme, gmx_wallcycle *wcycle, const gmx::StepWorkload &amp;stepWork):&#160;pme_gpu.cpp'],\n-        ['../pme__gpu_8cpp.xhtml#a18436cffafce5c90be682428f197d3ef', 1, 'pme_gpu_launch_complex_transforms(gmx_pme_t *pme, gmx_wallcycle *wcycle, const gmx::StepWorkload &amp;stepWork):&#160;pme_gpu.cpp']\n+    ['pme_5fgpu_5flaunch_5fcomplex_5ftransforms_339', ['pme_gpu_launch_complex_transforms', ['../pme__gpu_8cpp.xhtml#a18436cffafce5c90be682428f197d3ef', 1, 'pme_gpu_launch_complex_transforms(gmx_pme_t *pme, gmx_wallcycle *wcycle, const gmx::StepWorkload &amp;stepWork):&#160;pme_gpu.cpp'],\n+        ['../pme_8h.xhtml#a18436cffafce5c90be682428f197d3ef', 1, 'pme_gpu_launch_complex_transforms(gmx_pme_t *pme, gmx_wallcycle *wcycle, const gmx::StepWorkload &amp;stepWork):&#160;pme_gpu.cpp']\n     ]],\n     ['pme_5fgpu_5flaunch_5fgather_340', ['pme_gpu_launch_gather', ['../pme_8h.xhtml#a2a0db53484996329dcaf9b11adee65be', 1, 'pme.h']]],\n     ['pme_5fgpu_5flaunch_5fspread_341', ['pme_gpu_launch_spread', ['../pme_8h.xhtml#a01b11dfe5686b424b0593a42c5b89c57', 1, 'pme_gpu_launch_spread(gmx_pme_t *pme, GpuEventSynchronizer *xReadyOnDevice, gmx_wallcycle *wcycle, real lambdaQ, bool useGpuDirectComm, gmx::PmeCoordinateReceiverGpu *pmeCoordinateReceiverGpu, bool useMdGpuGraph):&#160;pme_gpu.cpp'],\n         ['../pme__gpu_8cpp.xhtml#a946b49715f34db33df029618ccc0c158', 1, 'pme_gpu_launch_spread(gmx_pme_t *pme, GpuEventSynchronizer *xReadyOnDevice, gmx_wallcycle *wcycle, const real lambdaQ, const bool useGpuDirectComm, gmx::PmeCoordinateReceiverGpu *pmeCoordinateReceiverGpu, const bool useMdGpuGraph):&#160;pme_gpu.cpp']\n     ]],\n     ['pme_5fgpu_5fmixed_5fmode_5fsupports_5finput_342', ['pme_gpu_mixed_mode_supports_input', ['../pme_8h.xhtml#a00b99237202396dd10f249a354b85b71', 1, 'pme_gpu_mixed_mode_supports_input(const t_inputrec &amp;ir, std::string *error):&#160;pme.cpp'],\n         ['../pme_8cpp.xhtml#a00b99237202396dd10f249a354b85b71', 1, 'pme_gpu_mixed_mode_supports_input(const t_inputrec &amp;ir, std::string *error):&#160;pme.cpp']\n@@ -619,140 +619,140 @@\n     ['pme_5fgpu_5fprogram_5fimpl_5fsycl_2ecpp_351', ['pme_gpu_program_impl_sycl.cpp', ['../pme__gpu__program__impl__sycl_8cpp.xhtml', 1, '']]],\n     ['pme_5fgpu_5frealloc_5fand_5fcopy_5fbspline_5fvalues_352', ['pme_gpu_realloc_and_copy_bspline_values', ['../pme__gpu__internal_8cpp.xhtml#aca7595bc703f478dcd681ffd7bc1429a', 1, 'pme_gpu_realloc_and_copy_bspline_values(PmeGpu *pmeGpu, const int gridIndex):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a2c7a5b7bfca0d09110c6956bf28cd819', 1, 'pme_gpu_realloc_and_copy_bspline_values(PmeGpu *pmeGpu, int gridIndex=0):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5frealloc_5fand_5fcopy_5ffract_5fshifts_353', ['pme_gpu_realloc_and_copy_fract_shifts', ['../pme__gpu__internal_8cpp.xhtml#abd6254378ab90de1dff115c61d0c9931', 1, 'pme_gpu_realloc_and_copy_fract_shifts(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#abd6254378ab90de1dff115c61d0c9931', 1, 'pme_gpu_realloc_and_copy_fract_shifts(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n-    ['pme_5fgpu_5frealloc_5fand_5fcopy_5finput_5fcoefficients_354', ['pme_gpu_realloc_and_copy_input_coefficients', ['../pme__gpu__internal_8h.xhtml#a67eb2fb88a118b6e01b2cbf034066b13', 1, 'pme_gpu_realloc_and_copy_input_coefficients(const PmeGpu *pmeGpu, const float *h_coefficients, int gridIndex=0):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__internal_8cpp.xhtml#aa8dd08c09a068f579a0b7fc93d4d50e6', 1, 'pme_gpu_realloc_and_copy_input_coefficients(const PmeGpu *pmeGpu, const float *h_coefficients, const int gridIndex):&#160;pme_gpu_internal.cpp']\n+    ['pme_5fgpu_5frealloc_5fand_5fcopy_5finput_5fcoefficients_354', ['pme_gpu_realloc_and_copy_input_coefficients', ['../pme__gpu__internal_8cpp.xhtml#aa8dd08c09a068f579a0b7fc93d4d50e6', 1, 'pme_gpu_realloc_and_copy_input_coefficients(const PmeGpu *pmeGpu, const float *h_coefficients, const int gridIndex):&#160;pme_gpu_internal.cpp'],\n+        ['../pme__gpu__internal_8h.xhtml#a67eb2fb88a118b6e01b2cbf034066b13', 1, 'pme_gpu_realloc_and_copy_input_coefficients(const PmeGpu *pmeGpu, const float *h_coefficients, int gridIndex=0):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5frealloc_5fforces_355', ['pme_gpu_realloc_forces', ['../pme__gpu__internal_8h.xhtml#a5272eaf88e7b1110676df6cf6acc95e3', 1, 'pme_gpu_realloc_forces(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#a5272eaf88e7b1110676df6cf6acc95e3', 1, 'pme_gpu_realloc_forces(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5frealloc_5fgrid_5findices_356', ['pme_gpu_realloc_grid_indices', ['../pme__gpu__internal_8cpp.xhtml#ae1c53fe5b22597189036c1bdf4c4aafc', 1, 'pme_gpu_realloc_grid_indices(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#ae1c53fe5b22597189036c1bdf4c4aafc', 1, 'pme_gpu_realloc_grid_indices(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5frealloc_5fgrids_357', ['pme_gpu_realloc_grids', ['../pme__gpu__internal_8cpp.xhtml#a39b72f968b9907393e23b9d9ce37fd6d', 1, 'pme_gpu_realloc_grids(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a39b72f968b9907393e23b9d9ce37fd6d', 1, 'pme_gpu_realloc_grids(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5frealloc_5fspline_5fdata_358', ['pme_gpu_realloc_spline_data', ['../pme__gpu__internal_8cpp.xhtml#a5c6eec5ec3757ff12c04310e2043bd11', 1, 'pme_gpu_realloc_spline_data(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a5c6eec5ec3757ff12c04310e2043bd11', 1, 'pme_gpu_realloc_spline_data(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5freduce_5foutputs_359', ['pme_gpu_reduce_outputs', ['../pme__gpu_8cpp.xhtml#aaf47ad78db265afaa89c4d7da47c193d', 1, 'pme_gpu.cpp']]],\n-    ['pme_5fgpu_5freinit_360', ['pme_gpu_reinit', ['../pme__gpu__internal_8cpp.xhtml#a77a7dd7ff510e6ad00a349b5db7919ad', 1, 'pme_gpu_reinit(gmx_pme_t *pme, const DeviceContext *deviceContext, const DeviceStream *deviceStream, const PmeGpuProgram *pmeGpuProgram, const bool useMdGpuGraph):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__hip__stubs_8cpp.xhtml#a82a91a7b7a83fb239a435e436e6f0b45', 1, 'pme_gpu_reinit(gmx_pme_t *, const DeviceContext *, const DeviceStream *, const PmeGpuProgram *, bool):&#160;pme_gpu_hip_stubs.cpp'],\n+    ['pme_5fgpu_5freinit_360', ['pme_gpu_reinit', ['../pme__gpu__hip__stubs_8cpp.xhtml#a82a91a7b7a83fb239a435e436e6f0b45', 1, 'pme_gpu_reinit(gmx_pme_t *, const DeviceContext *, const DeviceStream *, const PmeGpuProgram *, bool):&#160;pme_gpu_hip_stubs.cpp'],\n+        ['../pme__gpu__internal_8cpp.xhtml#a77a7dd7ff510e6ad00a349b5db7919ad', 1, 'pme_gpu_reinit(gmx_pme_t *pme, const DeviceContext *deviceContext, const DeviceStream *deviceStream, const PmeGpuProgram *pmeGpuProgram, const bool useMdGpuGraph):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#aa4521c86701bbc46046ef691c5c90a05', 1, 'pme_gpu_reinit(gmx_pme_t *pme, const DeviceContext *deviceContext, const DeviceStream *deviceStream, const PmeGpuProgram *pmeGpuProgram, bool useMdGpuGraph):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n-    ['pme_5fgpu_5freinit_5f3dfft_361', ['pme_gpu_reinit_3dfft', ['../pme__gpu__internal_8cpp.xhtml#ad9aa90037c75c67926f87351dd081d5a', 1, 'pme_gpu_reinit_3dfft(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__internal_8h.xhtml#ad9aa90037c75c67926f87351dd081d5a', 1, 'pme_gpu_reinit_3dfft(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n+    ['pme_5fgpu_5freinit_5f3dfft_361', ['pme_gpu_reinit_3dfft', ['../pme__gpu__internal_8h.xhtml#ad9aa90037c75c67926f87351dd081d5a', 1, 'pme_gpu_reinit_3dfft(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n+        ['../pme__gpu__internal_8cpp.xhtml#ad9aa90037c75c67926f87351dd081d5a', 1, 'pme_gpu_reinit_3dfft(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5freinit_5fatoms_362', ['pme_gpu_reinit_atoms', ['../pme__gpu__hip__stubs_8cpp.xhtml#ae0628fe742af1d2bf49863997641b78c', 1, 'pme_gpu_reinit_atoms(PmeGpu *, int, const real *, const real *):&#160;pme_gpu_hip_stubs.cpp'],\n-        ['../pme__gpu__internal_8h.xhtml#a201b9116043f3496c6068c8f375c890b', 1, 'pme_gpu_reinit_atoms(PmeGpu *pmeGpu, int nAtoms, const real *chargesA, const real *chargesB=nullptr):&#160;pme_gpu_hip_stubs.cpp'],\n-        ['../pme__gpu__internal_8cpp.xhtml#a4df33a26719ac64f61e94b5ce01160a9', 1, 'pme_gpu_reinit_atoms(PmeGpu *pmeGpu, const int nAtoms, const real *chargesA, const real *chargesB):&#160;pme_gpu_internal.cpp']\n+        ['../pme__gpu__internal_8cpp.xhtml#a4df33a26719ac64f61e94b5ce01160a9', 1, 'pme_gpu_reinit_atoms(PmeGpu *pmeGpu, const int nAtoms, const real *chargesA, const real *chargesB):&#160;pme_gpu_internal.cpp'],\n+        ['../pme__gpu__internal_8h.xhtml#a201b9116043f3496c6068c8f375c890b', 1, 'pme_gpu_reinit_atoms(PmeGpu *pmeGpu, int nAtoms, const real *chargesA, const real *chargesB=nullptr):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n-    ['pme_5fgpu_5freinit_5fcomputation_363', ['pme_gpu_reinit_computation', ['../pme__gpu__internal_8h.xhtml#a69066d5a6d2bd3cfd48c22a7da4fd88b', 1, 'pme_gpu_reinit_computation(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.h'],\n+    ['pme_5fgpu_5freinit_5fcomputation_363', ['pme_gpu_reinit_computation', ['../pme_8h.xhtml#a41dcb7d9217379d8ad3e87f9a7cd5fa0', 1, 'pme_gpu_reinit_computation(const gmx_pme_t *pme, bool gpuGraphWithSeparatePmeRank, gmx_wallcycle *wcycle):&#160;pme_gpu.cpp'],\n         ['../pme__gpu_8cpp.xhtml#a481cc886c2112861c0e1c0c89571ec78', 1, 'pme_gpu_reinit_computation(const gmx_pme_t *pme, const bool gpuGraphWithSeparatePmeRank, gmx_wallcycle *wcycle):&#160;pme_gpu.cpp'],\n-        ['../pme_8h.xhtml#a41dcb7d9217379d8ad3e87f9a7cd5fa0', 1, 'pme_gpu_reinit_computation(const gmx_pme_t *pme, bool gpuGraphWithSeparatePmeRank, gmx_wallcycle *wcycle):&#160;pme_gpu.cpp']\n+        ['../pme__gpu__internal_8h.xhtml#a69066d5a6d2bd3cfd48c22a7da4fd88b', 1, 'pme_gpu_reinit_computation(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.h']\n     ]],\n     ['pme_5fgpu_5freinit_5fgrids_364', ['pme_gpu_reinit_grids', ['../pme__gpu__internal_8cpp.xhtml#a0f87f8ca2058ea113ad2bc7287682576', 1, 'pme_gpu_internal.cpp']]],\n     ['pme_5fgpu_5freinit_5fhaloexchange_365', ['pme_gpu_reinit_haloexchange', ['../pme__gpu__internal_8cpp.xhtml#a07838cae9a4635ee6df663e4bee521c8', 1, 'pme_gpu_reinit_haloexchange(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a07838cae9a4635ee6df663e4bee521c8', 1, 'pme_gpu_reinit_haloexchange(PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n-    ['pme_5fgpu_5freinit_5ftimings_366', ['pme_gpu_reinit_timings', ['../pme__gpu__timings_8h.xhtml#aa77fc00ad1c62f0e0acb03b644e2bc1a', 1, 'pme_gpu_reinit_timings(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp'],\n+    ['pme_5fgpu_5freinit_5ftimings_366', ['pme_gpu_reinit_timings', ['../pme__gpu__hip__stubs_8cpp.xhtml#a9c284dcfaf880ba6a57b6e687e891514', 1, 'pme_gpu_reinit_timings(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__timings_8cpp.xhtml#aa77fc00ad1c62f0e0acb03b644e2bc1a', 1, 'pme_gpu_reinit_timings(const PmeGpu *pmeGpu):&#160;pme_gpu_timings.cpp'],\n-        ['../pme__gpu__hip__stubs_8cpp.xhtml#a9c284dcfaf880ba6a57b6e687e891514', 1, 'pme_gpu_reinit_timings(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp']\n+        ['../pme__gpu__timings_8h.xhtml#aa77fc00ad1c62f0e0acb03b644e2bc1a', 1, 'pme_gpu_reinit_timings(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n-    ['pme_5fgpu_5freset_5ftimings_367', ['pme_gpu_reset_timings', ['../pme_8h.xhtml#a9e82dc29271032072ff9ffb1418a1954', 1, 'pme_gpu_reset_timings(const gmx_pme_t *pme):&#160;pme_gpu.cpp'],\n-        ['../pme__gpu_8cpp.xhtml#a9e82dc29271032072ff9ffb1418a1954', 1, 'pme_gpu_reset_timings(const gmx_pme_t *pme):&#160;pme_gpu.cpp'],\n-        ['../pme__gpu__hip__stubs_8cpp.xhtml#a5db4fbfad6df6fbe13005f4edfa15203', 1, 'pme_gpu_reset_timings(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n+    ['pme_5fgpu_5freset_5ftimings_367', ['pme_gpu_reset_timings', ['../pme__gpu__timings_8h.xhtml#ac9c5c53ccebc4b241b0de1b0d3ca5fc0', 1, 'pme_gpu_reset_timings(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__timings_8cpp.xhtml#ac9c5c53ccebc4b241b0de1b0d3ca5fc0', 1, 'pme_gpu_reset_timings(const PmeGpu *pmeGpu):&#160;pme_gpu_timings.cpp'],\n-        ['../pme__gpu__timings_8h.xhtml#ac9c5c53ccebc4b241b0de1b0d3ca5fc0', 1, 'pme_gpu_reset_timings(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp']\n+        ['../pme__gpu_8cpp.xhtml#a9e82dc29271032072ff9ffb1418a1954', 1, 'pme_gpu_reset_timings(const gmx_pme_t *pme):&#160;pme_gpu.cpp'],\n+        ['../pme_8h.xhtml#a9e82dc29271032072ff9ffb1418a1954', 1, 'pme_gpu_reset_timings(const gmx_pme_t *pme):&#160;pme_gpu.cpp'],\n+        ['../pme__gpu__hip__stubs_8cpp.xhtml#a5db4fbfad6df6fbe13005f4edfa15203', 1, 'pme_gpu_reset_timings(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fselect_5fbest_5fperforming_5fpme_5fspreadgather_5fkernels_368', ['pme_gpu_select_best_performing_pme_spreadgather_kernels', ['../pme__gpu__internal_8cpp.xhtml#a9d51e813ca855b79f0c51e2afb0210f7', 1, 'pme_gpu_internal.cpp']]],\n-    ['pme_5fgpu_5fset_5fdevice_5fx_369', ['pme_gpu_set_device_x', ['../pme_8h.xhtml#a03f72aad18bc83b6ebba0599b8729808', 1, 'pme_gpu_set_device_x(const gmx_pme_t *pme, DeviceBuffer&lt; gmx::RVec &gt; d_x):&#160;pme_gpu.cpp'],\n-        ['../pme__gpu_8cpp.xhtml#a03f72aad18bc83b6ebba0599b8729808', 1, 'pme_gpu_set_device_x(const gmx_pme_t *pme, DeviceBuffer&lt; gmx::RVec &gt; d_x):&#160;pme_gpu.cpp']\n+    ['pme_5fgpu_5fset_5fdevice_5fx_369', ['pme_gpu_set_device_x', ['../pme__gpu_8cpp.xhtml#a03f72aad18bc83b6ebba0599b8729808', 1, 'pme_gpu_set_device_x(const gmx_pme_t *pme, DeviceBuffer&lt; gmx::RVec &gt; d_x):&#160;pme_gpu.cpp'],\n+        ['../pme_8h.xhtml#a03f72aad18bc83b6ebba0599b8729808', 1, 'pme_gpu_set_device_x(const gmx_pme_t *pme, DeviceBuffer&lt; gmx::RVec &gt; d_x):&#160;pme_gpu.cpp']\n     ]],\n-    ['pme_5fgpu_5fset_5fkernelparam_5fcoordinates_370', ['pme_gpu_set_kernelparam_coordinates', ['../pme__gpu__internal_8cpp.xhtml#a87c93dac2b9eaf3cd5b42b4ada227dad', 1, 'pme_gpu_set_kernelparam_coordinates(const PmeGpu *pmeGpu, DeviceBuffer&lt; gmx::RVec &gt; d_x):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__internal_8h.xhtml#a87c93dac2b9eaf3cd5b42b4ada227dad', 1, 'pme_gpu_set_kernelparam_coordinates(const PmeGpu *pmeGpu, DeviceBuffer&lt; gmx::RVec &gt; d_x):&#160;pme_gpu_hip_stubs.cpp'],\n+    ['pme_5fgpu_5fset_5fkernelparam_5fcoordinates_370', ['pme_gpu_set_kernelparam_coordinates', ['../pme__gpu__internal_8h.xhtml#a87c93dac2b9eaf3cd5b42b4ada227dad', 1, 'pme_gpu_set_kernelparam_coordinates(const PmeGpu *pmeGpu, DeviceBuffer&lt; gmx::RVec &gt; d_x):&#160;pme_gpu_hip_stubs.cpp'],\n+        ['../pme__gpu__internal_8cpp.xhtml#a87c93dac2b9eaf3cd5b42b4ada227dad', 1, 'pme_gpu_set_kernelparam_coordinates(const PmeGpu *pmeGpu, DeviceBuffer&lt; gmx::RVec &gt; d_x):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__hip__stubs_8cpp.xhtml#aeff8c61bc59d380068266566e3299383', 1, 'pme_gpu_set_kernelparam_coordinates(const PmeGpu *, DeviceBuffer&lt; gmx::RVec &gt;):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fset_5ftesting_371', ['pme_gpu_set_testing', ['../pme__gpu__internal_8h.xhtml#a09e861258a4869a92963dd6c30147491', 1, 'pme_gpu_internal.h']]],\n     ['pme_5fgpu_5fsettings_372', ['pme_gpu_settings', ['../pme__gpu__internal_8h.xhtml#adf2d698f4198c98ac05fe914a77bc044', 1, 'pme_gpu_internal.h']]],\n     ['pme_5fgpu_5fsettings_2eh_373', ['pme_gpu_settings.h', ['../pme__gpu__settings_8h.xhtml', 1, '']]],\n     ['pme_5fgpu_5fsolve_374', ['pme_gpu_solve', ['../pme__gpu__hip__stubs_8cpp.xhtml#af3bfad0b60a9efe624ab936507274ecc', 1, 'pme_gpu_solve(PmeGpu *, int, t_complex *, GridOrdering, bool):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#a70b4c1a84efc404cce76070f3f3ce890', 1, 'pme_gpu_solve(PmeGpu *pmeGpu, const int gridIndex, t_complex *h_grid, GridOrdering gridOrdering, bool computeEnergyAndVirial):&#160;pme_gpu_internal.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#af8d0dec13ce7987b901a14535dc3e8ba', 1, 'pme_gpu_solve(PmeGpu *pmeGpu, int gridIndex, t_complex *h_grid, GridOrdering gridOrdering, bool computeEnergyAndVirial):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5fspread_375', ['pme_gpu_spread', ['../pme__gpu__internal_8h.xhtml#ae62786a4a17a28d9eda73c27ca41da59', 1, 'pme_gpu_spread(PmeGpu *pmeGpu, GpuEventSynchronizer *xReadyOnDevice, gmx::ArrayRef&lt; PmeAndFftGrids &gt; h_grids, bool computeSplines, bool spreadCharges, real lambda, bool useGpuDirectComm, gmx::PmeCoordinateReceiverGpu *pmeCoordinateReceiverGpu, bool useMdGpuGraph, gmx_wallcycle *wcycle):&#160;pme_gpu_hip_stubs.cpp'],\n-        ['../pme__gpu__internal_8cpp.xhtml#a4c90fbabf607be9d8770ec79dc1a8e15', 1, 'pme_gpu_spread(PmeGpu *pmeGpu, GpuEventSynchronizer *xReadyOnDevice, gmx::ArrayRef&lt; PmeAndFftGrids &gt; h_grids, bool computeSplines, bool spreadCharges, const real lambda, const bool useGpuDirectComm, gmx::PmeCoordinateReceiverGpu *pmeCoordinateReceiverGpu, const bool useMdGpuGraph, gmx_wallcycle *wcycle):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__hip__stubs_8cpp.xhtml#adf90da8a052dd8963dcfab33a1527832', 1, 'pme_gpu_spread(PmeGpu *, GpuEventSynchronizer *, gmx::ArrayRef&lt; PmeAndFftGrids &gt;, bool, bool, real, bool, gmx::PmeCoordinateReceiverGpu *, bool, gmx_wallcycle *):&#160;pme_gpu_hip_stubs.cpp']\n+        ['../pme__gpu__hip__stubs_8cpp.xhtml#adf90da8a052dd8963dcfab33a1527832', 1, 'pme_gpu_spread(PmeGpu *, GpuEventSynchronizer *, gmx::ArrayRef&lt; PmeAndFftGrids &gt;, bool, bool, real, bool, gmx::PmeCoordinateReceiverGpu *, bool, gmx_wallcycle *):&#160;pme_gpu_hip_stubs.cpp'],\n+        ['../pme__gpu__internal_8cpp.xhtml#a4c90fbabf607be9d8770ec79dc1a8e15', 1, 'pme_gpu_spread(PmeGpu *pmeGpu, GpuEventSynchronizer *xReadyOnDevice, gmx::ArrayRef&lt; PmeAndFftGrids &gt; h_grids, bool computeSplines, bool spreadCharges, const real lambda, const bool useGpuDirectComm, gmx::PmeCoordinateReceiverGpu *pmeCoordinateReceiverGpu, const bool useMdGpuGraph, gmx_wallcycle *wcycle):&#160;pme_gpu_internal.cpp']\n     ]],\n     ['pme_5fgpu_5fstaging_376', ['pme_gpu_staging', ['../pme__gpu__internal_8h.xhtml#a3b8551b9b2de203257c86d48d9d7fb62', 1, 'pme_gpu_internal.h']]],\n     ['pme_5fgpu_5fstaging_2eh_377', ['pme_gpu_staging.h', ['../pme__gpu__staging_8h.xhtml', 1, '']]],\n     ['pme_5fgpu_5fstart_5ftiming_378', ['pme_gpu_start_timing', ['../pme__gpu__timings_8cpp.xhtml#a8308340f6593537a2bf44a914057e48e', 1, 'pme_gpu_start_timing(const PmeGpu *pmeGpu, PmeStage pmeStageId):&#160;pme_gpu_timings.cpp'],\n         ['../pme__gpu__timings_8h.xhtml#a8308340f6593537a2bf44a914057e48e', 1, 'pme_gpu_start_timing(const PmeGpu *pmeGpu, PmeStage pmeStageId):&#160;pme_gpu_timings.cpp']\n     ]],\n     ['pme_5fgpu_5fstop_5ftiming_379', ['pme_gpu_stop_timing', ['../pme__gpu__timings_8cpp.xhtml#a3051e4da1cc1d9645997959b60fd30b0', 1, 'pme_gpu_stop_timing(const PmeGpu *pmeGpu, PmeStage pmeStageId):&#160;pme_gpu_timings.cpp'],\n         ['../pme__gpu__timings_8h.xhtml#a3051e4da1cc1d9645997959b60fd30b0', 1, 'pme_gpu_stop_timing(const PmeGpu *pmeGpu, PmeStage pmeStageId):&#160;pme_gpu_timings.cpp']\n     ]],\n-    ['pme_5fgpu_5fstream_5fquery_380', ['pme_gpu_stream_query', ['../pme__gpu__internal_8h.xhtml#aded614c4f44ad3c29689336a46f06c00', 1, 'pme_gpu_stream_query(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp'],\n-        ['../pme__gpu__hip__stubs_8cpp.xhtml#a6bbdd7032824c5a58c607403a4a1bda7', 1, 'pme_gpu_stream_query(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n-        ['../pme__gpu__internal_8cpp.xhtml#aded614c4f44ad3c29689336a46f06c00', 1, 'pme_gpu_stream_query(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n+    ['pme_5fgpu_5fstream_5fquery_380', ['pme_gpu_stream_query', ['../pme__gpu__hip__stubs_8cpp.xhtml#a6bbdd7032824c5a58c607403a4a1bda7', 1, 'pme_gpu_stream_query(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n+        ['../pme__gpu__internal_8cpp.xhtml#aded614c4f44ad3c29689336a46f06c00', 1, 'pme_gpu_stream_query(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n+        ['../pme__gpu__internal_8h.xhtml#aded614c4f44ad3c29689336a46f06c00', 1, 'pme_gpu_stream_query(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n-    ['pme_5fgpu_5fsupports_5fbuild_381', ['pme_gpu_supports_build', ['../pme_8h.xhtml#a8c1a3fa279f72a26deffce255bb374d9', 1, 'pme_gpu_supports_build(std::string *error):&#160;pme.cpp'],\n-        ['../pme_8cpp.xhtml#a8c1a3fa279f72a26deffce255bb374d9', 1, 'pme_gpu_supports_build(std::string *error):&#160;pme.cpp']\n+    ['pme_5fgpu_5fsupports_5fbuild_381', ['pme_gpu_supports_build', ['../pme_8cpp.xhtml#a8c1a3fa279f72a26deffce255bb374d9', 1, 'pme_gpu_supports_build(std::string *error):&#160;pme.cpp'],\n+        ['../pme_8h.xhtml#a8c1a3fa279f72a26deffce255bb374d9', 1, 'pme_gpu_supports_build(std::string *error):&#160;pme.cpp']\n     ]],\n-    ['pme_5fgpu_5fsupports_5finput_382', ['pme_gpu_supports_input', ['../pme_8h.xhtml#aece8df7226a093dc75cf627631c52304', 1, 'pme_gpu_supports_input(const t_inputrec &amp;ir, std::string *error):&#160;pme.cpp'],\n-        ['../pme_8cpp.xhtml#aece8df7226a093dc75cf627631c52304', 1, 'pme_gpu_supports_input(const t_inputrec &amp;ir, std::string *error):&#160;pme.cpp']\n+    ['pme_5fgpu_5fsupports_5finput_382', ['pme_gpu_supports_input', ['../pme_8cpp.xhtml#aece8df7226a093dc75cf627631c52304', 1, 'pme_gpu_supports_input(const t_inputrec &amp;ir, std::string *error):&#160;pme.cpp'],\n+        ['../pme_8h.xhtml#aece8df7226a093dc75cf627631c52304', 1, 'pme_gpu_supports_input(const t_inputrec &amp;ir, std::string *error):&#160;pme.cpp']\n     ]],\n-    ['pme_5fgpu_5fsync_5fspread_5fgrid_383', ['pme_gpu_sync_spread_grid', ['../pme__gpu__internal_8h.xhtml#a9f7ceb99dc4b03f7af55cb2d244629cf', 1, 'pme_gpu_sync_spread_grid(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp'],\n-        ['../pme__gpu__internal_8cpp.xhtml#a9f7ceb99dc4b03f7af55cb2d244629cf', 1, 'pme_gpu_sync_spread_grid(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__hip__stubs_8cpp.xhtml#a0de296950eadc8a0f95eddbb866c480c', 1, 'pme_gpu_sync_spread_grid(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp']\n+    ['pme_5fgpu_5fsync_5fspread_5fgrid_383', ['pme_gpu_sync_spread_grid', ['../pme__gpu__hip__stubs_8cpp.xhtml#a0de296950eadc8a0f95eddbb866c480c', 1, 'pme_gpu_sync_spread_grid(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n+        ['../pme__gpu__internal_8h.xhtml#a9f7ceb99dc4b03f7af55cb2d244629cf', 1, 'pme_gpu_sync_spread_grid(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp'],\n+        ['../pme__gpu__internal_8cpp.xhtml#a9f7ceb99dc4b03f7af55cb2d244629cf', 1, 'pme_gpu_sync_spread_grid(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp']\n     ]],\n-    ['pme_5fgpu_5fsynchronize_384', ['pme_gpu_synchronize', ['../pme__gpu__hip__stubs_8cpp.xhtml#ac642782421fd2e7b2eda79f236975cd8', 1, 'pme_gpu_synchronize(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n+    ['pme_5fgpu_5fsynchronize_384', ['pme_gpu_synchronize', ['../pme__gpu__internal_8h.xhtml#af988b8256d624cfccf2fa2e4d0f7718f', 1, 'pme_gpu_synchronize(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8cpp.xhtml#af988b8256d624cfccf2fa2e4d0f7718f', 1, 'pme_gpu_synchronize(const PmeGpu *pmeGpu):&#160;pme_gpu_internal.cpp'],\n-        ['../pme__gpu__internal_8h.xhtml#af988b8256d624cfccf2fa2e4d0f7718f', 1, 'pme_gpu_synchronize(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp']\n+        ['../pme__gpu__hip__stubs_8cpp.xhtml#ac642782421fd2e7b2eda79f236975cd8', 1, 'pme_gpu_synchronize(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n     ['pme_5fgpu_5ftask_5fenabled_385', ['pme_gpu_task_enabled', ['../pme_8h.xhtml#a9faddde52f5a636410141f52cc95d3e1', 1, 'pme.h']]],\n     ['pme_5fgpu_5ftimings_2ecpp_386', ['pme_gpu_timings.cpp', ['../pme__gpu__timings_8cpp.xhtml', 1, '']]],\n     ['pme_5fgpu_5ftimings_2eh_387', ['pme_gpu_timings.h', ['../pme__gpu__timings_8h.xhtml', 1, '']]],\n-    ['pme_5fgpu_5ftimings_5fenabled_388', ['pme_gpu_timings_enabled', ['../pme__gpu__timings_8cpp.xhtml#ac5abc85de943c25b69dc29df0f88c0d4', 1, 'pme_gpu_timings_enabled(const PmeGpu *pmeGpu):&#160;pme_gpu_timings.cpp'],\n-        ['../pme__gpu__timings_8h.xhtml#ac5abc85de943c25b69dc29df0f88c0d4', 1, 'pme_gpu_timings_enabled(const PmeGpu *pmeGpu):&#160;pme_gpu_timings.cpp']\n+    ['pme_5fgpu_5ftimings_5fenabled_388', ['pme_gpu_timings_enabled', ['../pme__gpu__timings_8h.xhtml#ac5abc85de943c25b69dc29df0f88c0d4', 1, 'pme_gpu_timings_enabled(const PmeGpu *pmeGpu):&#160;pme_gpu_timings.cpp'],\n+        ['../pme__gpu__timings_8cpp.xhtml#ac5abc85de943c25b69dc29df0f88c0d4', 1, 'pme_gpu_timings_enabled(const PmeGpu *pmeGpu):&#160;pme_gpu_timings.cpp']\n     ]],\n     ['pme_5fgpu_5ftransform_5fspline_5fatom_5fdata_389', ['pme_gpu_transform_spline_atom_data', ['../namespacegmx_1_1test.xhtml#a2d532705f5ffbc2f6fd4617d1111cc81', 1, 'gmx::test']]],\n     ['pme_5fgpu_5ftry_5ffinish_5ftask_390', ['pme_gpu_try_finish_task', ['../pme_8h.xhtml#aecf67d9094f45a741a7f1c74f27a49e7', 1, 'pme_gpu_try_finish_task(gmx_pme_t *pme, const gmx::StepWorkload &amp;stepWork, gmx_wallcycle *wcycle, gmx::ForceWithVirial *forceWithVirial, gmx_enerdata_t *enerd, real lambdaQ, GpuTaskCompletion completionKind):&#160;pme_gpu.cpp'],\n         ['../pme__gpu_8cpp.xhtml#a121a7f787647a8313878cf785fe15d76', 1, 'pme_gpu_try_finish_task(gmx_pme_t *pme, const gmx::StepWorkload &amp;stepWork, gmx_wallcycle *wcycle, gmx::ForceWithVirial *forceWithVirial, gmx_enerdata_t *enerd, const real lambdaQ, GpuTaskCompletion completionKind):&#160;pme_gpu.cpp']\n     ]],\n     ['pme_5fgpu_5ftypes_2eh_391', ['pme_gpu_types.h', ['../pme__gpu__types_8h.xhtml', 1, '']]],\n     ['pme_5fgpu_5ftypes_5fhost_2eh_392', ['pme_gpu_types_host.h', ['../pme__gpu__types__host_8h.xhtml', 1, '']]],\n     ['pme_5fgpu_5ftypes_5fhost_5fimpl_2eh_393', ['pme_gpu_types_host_impl.h', ['../pme__gpu__types__host__impl_8h.xhtml', 1, '']]],\n     ['pme_5fgpu_5fupdate_5finput_5fbox_394', ['pme_gpu_update_input_box', ['../pme__gpu__hip__stubs_8cpp.xhtml#a598d9d8d1bcb1e0a3e40c8e09d154dd5', 1, 'pme_gpu_update_input_box(PmeGpu *, const matrix):&#160;pme_gpu_hip_stubs.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#a79575e51e673f2d13315370dba0e7191', 1, 'pme_gpu_update_input_box(PmeGpu *pmeGpu, const matrix box):&#160;pme_gpu_hip_stubs.cpp']\n     ]],\n-    ['pme_5fgpu_5fupdate_5ftimings_395', ['pme_gpu_update_timings', ['../pme__gpu__hip__stubs_8cpp.xhtml#ae1ffe34b05c602e60d0087b8d38346b5', 1, 'pme_gpu_update_timings(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n-        ['../pme__gpu__timings_8cpp.xhtml#a0588378ce36eda8bc7a685875ba4b3ae', 1, 'pme_gpu_update_timings(const PmeGpu *pmeGpu):&#160;pme_gpu_timings.cpp'],\n-        ['../pme__gpu__timings_8h.xhtml#a0588378ce36eda8bc7a685875ba4b3ae', 1, 'pme_gpu_update_timings(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp']\n+    ['pme_5fgpu_5fupdate_5ftimings_395', ['pme_gpu_update_timings', ['../pme__gpu__timings_8h.xhtml#a0588378ce36eda8bc7a685875ba4b3ae', 1, 'pme_gpu_update_timings(const PmeGpu *pmeGpu):&#160;pme_gpu_hip_stubs.cpp'],\n+        ['../pme__gpu__hip__stubs_8cpp.xhtml#ae1ffe34b05c602e60d0087b8d38346b5', 1, 'pme_gpu_update_timings(const PmeGpu *):&#160;pme_gpu_hip_stubs.cpp'],\n+        ['../pme__gpu__timings_8cpp.xhtml#a0588378ce36eda8bc7a685875ba4b3ae', 1, 'pme_gpu_update_timings(const PmeGpu *pmeGpu):&#160;pme_gpu_timings.cpp']\n     ]],\n-    ['pme_5fgpu_5fuse_5fnvshmem_396', ['pme_gpu_use_nvshmem', ['../pme_8h.xhtml#ae16d2dd2e147f746806b1cedb0e90049', 1, 'pme_gpu_use_nvshmem(PmeGpu *pmeGpu, bool useNvshmem):&#160;pme_gpu.cpp'],\n-        ['../pme__gpu_8cpp.xhtml#ae16d2dd2e147f746806b1cedb0e90049', 1, 'pme_gpu_use_nvshmem(PmeGpu *pmeGpu, bool useNvshmem):&#160;pme_gpu.cpp']\n+    ['pme_5fgpu_5fuse_5fnvshmem_396', ['pme_gpu_use_nvshmem', ['../pme__gpu_8cpp.xhtml#ae16d2dd2e147f746806b1cedb0e90049', 1, 'pme_gpu_use_nvshmem(PmeGpu *pmeGpu, bool useNvshmem):&#160;pme_gpu.cpp'],\n+        ['../pme_8h.xhtml#ae16d2dd2e147f746806b1cedb0e90049', 1, 'pme_gpu_use_nvshmem(PmeGpu *pmeGpu, bool useNvshmem):&#160;pme_gpu.cpp']\n     ]],\n     ['pme_5fgpu_5fwait_5fand_5freduce_397', ['pme_gpu_wait_and_reduce', ['../pme_8h.xhtml#adcf095134b3b28e36e32dc65fbb74990', 1, 'pme_gpu_wait_and_reduce(gmx_pme_t *pme, const gmx::StepWorkload &amp;stepWork, gmx_wallcycle *wcycle, gmx::ForceWithVirial *forceWithVirial, gmx_enerdata_t *enerd, real lambdaQ):&#160;pme_gpu.cpp'],\n         ['../pme__gpu_8cpp.xhtml#a10a5a598f5d8e27ab6e4b3096919637d', 1, 'pme_gpu_wait_and_reduce(gmx_pme_t *pme, const gmx::StepWorkload &amp;stepWork, gmx_wallcycle *wcycle, gmx::ForceWithVirial *forceWithVirial, gmx_enerdata_t *enerd, const real lambdaQ):&#160;pme_gpu.cpp']\n     ]],\n     ['pme_5fgpu_5fwait_5ffinish_5ftask_398', ['pme_gpu_wait_finish_task', ['../pme__gpu_8cpp.xhtml#a29d284ae8c627b3048447f47e61cf151', 1, 'pme_gpu_wait_finish_task(gmx_pme_t *pme, const bool computeEnergyAndVirial, const real lambdaQ, gmx_wallcycle *wcycle):&#160;pme_gpu.cpp'],\n         ['../pme__gpu__internal_8h.xhtml#ab6a56b7f42494a3ea76bd33cdaddeaba', 1, 'pme_gpu_wait_finish_task(gmx_pme_t *pme, bool computeEnergyAndVirial, real lambdaQ, gmx_wallcycle *wcycle):&#160;pme_gpu.cpp']\n     ]],\n     ['pme_5fgrid_5fpoints_399', ['pme_grid_points', ['../pme__load__balancing_8cpp.xhtml#aa096c117d68e13e5d18eeff3e39cf156', 1, 'pme_load_balancing.cpp']]],\n     ['pme_5finternal_2eh_400', ['pme_internal.h', ['../pme__internal_8h.xhtml', 1, '']]],\n     ['pme_5fload_5fbalance_401', ['pme_load_balance', ['../pme__load__balancing_8cpp.xhtml#ab969f20a626f1c0a31f3d33cdbf8a8e1', 1, 'pme_load_balancing.cpp']]],\n     ['pme_5fload_5fbalancing_2ecpp_402', ['pme_load_balancing.cpp', ['../pme__load__balancing_8cpp.xhtml', 1, '']]],\n     ['pme_5fload_5fbalancing_2eh_403', ['pme_load_balancing.h', ['../pme__load__balancing_8h.xhtml', 1, '']]],\n-    ['pme_5floadbal_5fdo_404', ['pme_loadbal_do', ['../pme__load__balancing_8cpp.xhtml#a355929fd232d21971e0f98ff31c7d474', 1, 'pme_loadbal_do(pme_load_balancing_t *pme_lb, t_commrec *cr, FILE *fp_err, FILE *fp_log, const gmx::MDLogger &amp;mdlog, const t_inputrec &amp;ir, t_forcerec *fr, const matrix box, gmx::ArrayRef&lt; const gmx::RVec &gt; x, gmx_wallcycle *wcycle, int64_t step, int64_t step_rel, gmx_bool *bPrinting, bool useGpuPmePpCommunication):&#160;pme_load_balancing.cpp'],\n-        ['../pme__load__balancing_8h.xhtml#aedeb04303d1bffa9e4dc1d3b843f5f9d', 1, 'pme_loadbal_do(pme_load_balancing_t *pme_lb, struct t_commrec *cr, FILE *fp_err, FILE *fp_log, const gmx::MDLogger &amp;mdlog, const t_inputrec &amp;ir, t_forcerec *fr, const matrix box, gmx::ArrayRef&lt; const gmx::RVec &gt; x, gmx_wallcycle *wcycle, int64_t step, int64_t step_rel, gmx_bool *bPrinting, bool useGpuPmePpCommunication):&#160;pme_load_balancing.cpp']\n+    ['pme_5floadbal_5fdo_404', ['pme_loadbal_do', ['../pme__load__balancing_8h.xhtml#aedeb04303d1bffa9e4dc1d3b843f5f9d', 1, 'pme_loadbal_do(pme_load_balancing_t *pme_lb, struct t_commrec *cr, FILE *fp_err, FILE *fp_log, const gmx::MDLogger &amp;mdlog, const t_inputrec &amp;ir, t_forcerec *fr, const matrix box, gmx::ArrayRef&lt; const gmx::RVec &gt; x, gmx_wallcycle *wcycle, int64_t step, int64_t step_rel, gmx_bool *bPrinting, bool useGpuPmePpCommunication):&#160;pme_load_balancing.cpp'],\n+        ['../pme__load__balancing_8cpp.xhtml#a355929fd232d21971e0f98ff31c7d474', 1, 'pme_loadbal_do(pme_load_balancing_t *pme_lb, t_commrec *cr, FILE *fp_err, FILE *fp_log, const gmx::MDLogger &amp;mdlog, const t_inputrec &amp;ir, t_forcerec *fr, const matrix box, gmx::ArrayRef&lt; const gmx::RVec &gt; x, gmx_wallcycle *wcycle, int64_t step, int64_t step_rel, gmx_bool *bPrinting, bool useGpuPmePpCommunication):&#160;pme_load_balancing.cpp']\n     ]],\n     ['pme_5floadbal_5fdone_405', ['pme_loadbal_done', ['../pme__load__balancing_8cpp.xhtml#acb67e42228333b60cd1e7353b5da382e', 1, 'pme_loadbal_done(pme_load_balancing_t *pme_lb, FILE *fplog, const gmx::MDLogger &amp;mdlog, gmx_bool bNonBondedOnGPU):&#160;pme_load_balancing.cpp'],\n         ['../pme__load__balancing_8h.xhtml#acb67e42228333b60cd1e7353b5da382e', 1, 'pme_loadbal_done(pme_load_balancing_t *pme_lb, FILE *fplog, const gmx::MDLogger &amp;mdlog, gmx_bool bNonBondedOnGPU):&#160;pme_load_balancing.cpp']\n     ]],\n     ['pme_5floadbal_5fend_406', ['pme_loadbal_end', ['../pme__load__balancing_8cpp.xhtml#a08ba9fd9752caab7ff2c6518736c8684', 1, 'pme_load_balancing.cpp']]],\n     ['pme_5floadbal_5fincrease_5fcutoff_407', ['pme_loadbal_increase_cutoff', ['../pme__load__balancing_8cpp.xhtml#a8eed547e08152be03e8ea355219fd699', 1, 'pme_load_balancing.cpp']]],\n     ['pme_5floadbal_5finit_408', ['pme_loadbal_init', ['../pme__load__balancing_8cpp.xhtml#abcc387a129e73462ca867938847da414', 1, 'pme_loadbal_init(pme_load_balancing_t **pme_lb_p, t_commrec *cr, const gmx::MDLogger &amp;mdlog, const t_inputrec &amp;ir, const matrix box, const interaction_const_t &amp;ic, const gmx::nonbonded_verlet_t &amp;nbv, gmx_pme_t *pmedata, gmx_bool bUseGPU):&#160;pme_load_balancing.cpp'],\n@@ -772,16 +772,16 @@\n     ['pme_5fpp_5fcomm_5fgpu_5fimpl_2eh_418', ['pme_pp_comm_gpu_impl.h', ['../pme__pp__comm__gpu__impl_8h.xhtml', 1, '']]],\n     ['pme_5fpp_5fcomm_5fgpu_5fimpl_5fgpu_2ecpp_419', ['pme_pp_comm_gpu_impl_gpu.cpp', ['../pme__pp__comm__gpu__impl__gpu_8cpp.xhtml', 1, '']]],\n     ['pme_5fpp_5fcomm_5fgpu_5fimpl_5fgpu_5fsycl_2ecpp_420', ['pme_pp_comm_gpu_impl_gpu_sycl.cpp', ['../pme__pp__comm__gpu__impl__gpu__sycl_8cpp.xhtml', 1, '']]],\n     ['pme_5fpp_5fcommunication_2eh_421', ['pme_pp_communication.h', ['../pme__pp__communication_8h.xhtml', 1, '']]],\n     ['pme_5frealloc_5fsplinedata_422', ['pme_realloc_splinedata', ['../pme__redistribute_8cpp.xhtml#ac5791e3e44e6e1e31a2c082506bd156e', 1, 'pme_redistribute.cpp']]],\n     ['pme_5fredistribute_2ecpp_423', ['pme_redistribute.cpp', ['../pme__redistribute_8cpp.xhtml', 1, '']]],\n     ['pme_5fredistribute_2eh_424', ['pme_redistribute.h', ['../pme__redistribute_8h.xhtml', 1, '']]],\n-    ['pme_5frun_5fmode_425', ['pme_run_mode', ['../pme_8cpp.xhtml#a9cfbe9fa691aabaf1a9e10fa06858c96', 1, 'pme_run_mode(const gmx_pme_t *pme):&#160;pme.cpp'],\n-        ['../pme_8h.xhtml#a9cfbe9fa691aabaf1a9e10fa06858c96', 1, 'pme_run_mode(const gmx_pme_t *pme):&#160;pme.cpp']\n+    ['pme_5frun_5fmode_425', ['pme_run_mode', ['../pme_8h.xhtml#a9cfbe9fa691aabaf1a9e10fa06858c96', 1, 'pme_run_mode(const gmx_pme_t *pme):&#160;pme.cpp'],\n+        ['../pme_8cpp.xhtml#a9cfbe9fa691aabaf1a9e10fa06858c96', 1, 'pme_run_mode(const gmx_pme_t *pme):&#160;pme.cpp']\n     ]],\n     ['pme_5fsetup_5ft_426', ['pme_setup_t', ['../structpme__setup__t.xhtml', 1, '']]],\n     ['pme_5fsolve_5fsycl_2ecpp_427', ['pme_solve_sycl.cpp', ['../pme__solve__sycl_8cpp.xhtml', 1, '']]],\n     ['pme_5fsolve_5fsycl_2eh_428', ['pme_solve_sycl.h', ['../pme__solve__sycl_8h.xhtml', 1, '']]],\n     ['pme_5fspread_5fsycl_2ecpp_429', ['pme_spread_sycl.cpp', ['../pme__spread__sycl_8cpp.xhtml', 1, '']]],\n     ['pme_5fspread_5fsycl_2eh_430', ['pme_spread_sycl.h', ['../pme__spread__sycl_8h.xhtml', 1, '']]],\n     ['pmebsplinemodulicorrectnesstest_431', ['PmeBSplineModuliCorrectnessTest', ['../namespacegmx_1_1test_1_1anonymous__namespace_02pmebsplinetest_8cpp_03.xhtml#aae2cba1d8c60d3dc833dad483bf8d4a9', 1, 'gmx::test::anonymous_namespace{pmebsplinetest.cpp}']]],\n@@ -794,17 +794,17 @@\n     ['pmecorrfunction_438', ['pmeCorrFunction', ['../namespacegmx_1_1test_1_1anonymous__namespace_02splinetable_8cpp_03.xhtml#a114b7bdef1d5775f3aee743a549c9d08', 1, 'gmx::test::anonymous_namespace{splinetable.cpp}']]],\n     ['pmedata_439', ['pmedata', ['../structpme__setup__t.xhtml#a24d77a179605be8e30e0042930172072', 1, 'pme_setup_t']]],\n     ['pmefinalizetest_440', ['pmeFinalizeTest', ['../namespacegmx_1_1test.xhtml#a1edd6d8cc0e4fa820be454dbf3877f4f', 1, 'gmx::test']]],\n     ['pmeforcecorrection_441', ['pmeforcecorrection', ['../namespacegmx.xhtml#a5275f264f1c6da2502ec03e8fbf855a4', 1, 'gmx::pmeForceCorrection(double z2)'],\n         ['../namespacegmx.xhtml#a1e5b1230d0301fa6760e34d7641ca7e4', 1, 'gmx::pmeForceCorrection(float z2)']\n     ]],\n     ['pmeforcecorrectionsingleaccuracy_442', ['pmeForceCorrectionSingleAccuracy', ['../namespacegmx.xhtml#abd18f07b8fd19f03f12442211982db53', 1, 'gmx']]],\n-    ['pmeforcesendergpu_443', ['pmeforcesendergpu', ['../structgmx__pme__pp.xhtml#a23d50db5d4950d91a794b4ffb101b531', 1, 'gmx_pme_pp::pmeForceSenderGpu'],\n+    ['pmeforcesendergpu_443', ['pmeforcesendergpu', ['../classgmx_1_1PmeForceSenderGpu.xhtml', 1, 'gmx::PmeForceSenderGpu'],\n         ['../classgmx_1_1PmeForceSenderGpu.xhtml#adebce74b420495046e8211be15c53bae', 1, 'gmx::PmeForceSenderGpu::PmeForceSenderGpu()'],\n-        ['../classgmx_1_1PmeForceSenderGpu.xhtml', 1, 'gmx::PmeForceSenderGpu']\n+        ['../structgmx__pme__pp.xhtml#a23d50db5d4950d91a794b4ffb101b531', 1, 'gmx_pme_pp::pmeForceSenderGpu']\n     ]],\n     ['pmeforcesready_444', ['pmeForcesReady', ['../structPmeGpuSpecific.xhtml#ab767da2851abd9a401e9a83101176230', 1, 'PmeGpuSpecific']]],\n     ['pmegatherkernel_445', ['pmeGatherKernel', ['../pme__gather__sycl_8cpp.xhtml#aa72cdc234e8e46990c97e36ded8fa09b', 1, 'pme_gather_sycl.cpp']]],\n     ['pmegathertest_2ecpp_446', ['pmegathertest.cpp', ['../pmegathertest_8cpp.xhtml', 1, '']]],\n     ['pmegetcomplexgrid_447', ['pmeGetComplexGrid', ['../namespacegmx_1_1test.xhtml#a15dd98cb3ef7e76e595ee9643e99a301', 1, 'gmx::test']]],\n     ['pmegetcomplexgridinternal_448', ['pmeGetComplexGridInternal', ['../namespacegmx_1_1test.xhtml#a6e3a33b07d7a07d364adb41606108d51', 1, 'gmx::test']]],\n     ['pmegetcomplexgridsizesinternal_449', ['pmeGetComplexGridSizesInternal', ['../namespacegmx_1_1test.xhtml#a611b81b5fa91c5af3a1d55f0dcccd403', 1, 'gmx::test']]],\n@@ -822,60 +822,60 @@\n     ['pmegetsplinedatainternal_461', ['pmeGetSplineDataInternal', ['../namespacegmx_1_1test.xhtml#a89ce822256e5c1307a850837c8ab23a0', 1, 'gmx::test']]],\n     ['pmegpu_462', ['PmeGpu', ['../structPmeGpu.xhtml', 1, '']]],\n     ['pmegpuatomparams_463', ['PmeGpuAtomParams', ['../structPmeGpuAtomParams.xhtml', 1, '']]],\n     ['pmegpucheckatomcharge_464', ['pmeGpuCheckAtomCharge', ['../pme__gpu__calculate__splines__sycl_8h.xhtml#a2bcd422ff33a51339b82bf55019590e2', 1, 'pme_gpu_calculate_splines_sycl.h']]],\n     ['pmegpuconstparams_465', ['PmeGpuConstParams', ['../structPmeGpuConstParams.xhtml', 1, '']]],\n     ['pmegpucreategrid_466', ['pmeGpuCreateGrid', ['../pme__gpu__internal_8cpp.xhtml#ae10d979ffdf2422ac3e11f5dc6fa7d3c', 1, 'pme_gpu_internal.cpp']]],\n     ['pmegpudynamicparams_467', ['PmeGpuDynamicParams', ['../structPmeGpuDynamicParams.xhtml', 1, '']]],\n-    ['pmegpugridhaloexchange_468', ['pmegpugridhaloexchange', ['../pme__gpu__grid_8h.xhtml#a05b62ebd1ff27542d4e71e53753ecf20', 1, 'pmeGpuGridHaloExchange(const PmeGpu *pmeGpu, gmx_wallcycle *wcycle):&#160;pme_gpu_grid_sycl.cpp'],\n+    ['pmegpugridhaloexchange_468', ['pmegpugridhaloexchange', ['../pme__gpu__ocl__stubs_8cpp.xhtml#a27a826956f0aa8c1927c8fe235f017a3', 1, 'pmeGpuGridHaloExchange(const PmeGpu *, gmx_wallcycle *):&#160;pme_gpu_ocl_stubs.cpp'],\n         ['../pme__gpu__grid__sycl_8cpp.xhtml#a05b62ebd1ff27542d4e71e53753ecf20', 1, 'pmeGpuGridHaloExchange(const PmeGpu *pmeGpu, gmx_wallcycle *wcycle):&#160;pme_gpu_grid_sycl.cpp'],\n-        ['../pme__gpu__ocl__stubs_8cpp.xhtml#a27a826956f0aa8c1927c8fe235f017a3', 1, 'pmeGpuGridHaloExchange(const PmeGpu *, gmx_wallcycle *):&#160;pme_gpu_ocl_stubs.cpp']\n+        ['../pme__gpu__grid_8h.xhtml#a05b62ebd1ff27542d4e71e53753ecf20', 1, 'pmeGpuGridHaloExchange(const PmeGpu *pmeGpu, gmx_wallcycle *wcycle):&#160;pme_gpu_grid_sycl.cpp']\n     ]],\n-    ['pmegpugridhaloexchangereverse_469', ['pmegpugridhaloexchangereverse', ['../pme__gpu__grid_8h.xhtml#ada9b801da508de001dfc4d1a72c9526c', 1, 'pmeGpuGridHaloExchangeReverse(const PmeGpu *pmeGpu, gmx_wallcycle *wcycle):&#160;pme_gpu_grid_sycl.cpp'],\n+    ['pmegpugridhaloexchangereverse_469', ['pmegpugridhaloexchangereverse', ['../pme__gpu__ocl__stubs_8cpp.xhtml#a6b2310ae91449944562c827d41a60841', 1, 'pmeGpuGridHaloExchangeReverse(const PmeGpu *, gmx_wallcycle *):&#160;pme_gpu_ocl_stubs.cpp'],\n         ['../pme__gpu__grid__sycl_8cpp.xhtml#ada9b801da508de001dfc4d1a72c9526c', 1, 'pmeGpuGridHaloExchangeReverse(const PmeGpu *pmeGpu, gmx_wallcycle *wcycle):&#160;pme_gpu_grid_sycl.cpp'],\n-        ['../pme__gpu__ocl__stubs_8cpp.xhtml#a6b2310ae91449944562c827d41a60841', 1, 'pmeGpuGridHaloExchangeReverse(const PmeGpu *, gmx_wallcycle *):&#160;pme_gpu_ocl_stubs.cpp']\n+        ['../pme__gpu__grid_8h.xhtml#ada9b801da508de001dfc4d1a72c9526c', 1, 'pmeGpuGridHaloExchangeReverse(const PmeGpu *pmeGpu, gmx_wallcycle *wcycle):&#160;pme_gpu_grid_sycl.cpp']\n     ]],\n     ['pmegpugridparams_470', ['PmeGpuGridParams', ['../structPmeGpuGridParams.xhtml', 1, '']]],\n     ['pmegpuhaloexchange_471', ['PmeGpuHaloExchange', ['../structPmeGpuHaloExchange.xhtml', 1, '']]],\n     ['pmegpukernelparams_472', ['PmeGpuKernelParams', ['../pme__gpu__types__host_8h.xhtml#a90fa9b88804bde8212648c88b6420060', 1, 'pme_gpu_types_host.h']]],\n     ['pmegpukernelparamsbase_473', ['PmeGpuKernelParamsBase', ['../structPmeGpuKernelParamsBase.xhtml', 1, '']]],\n     ['pmegpuprogram_474', ['pmegpuprogram', ['../classPmeGpuProgram.xhtml#aa7e861bd577b2173e248c5bf9fb5ef0e', 1, 'PmeGpuProgram::PmeGpuProgram()'],\n         ['../classPmeGpuProgram.xhtml', 1, 'PmeGpuProgram']\n     ]],\n-    ['pmegpuprogramimpl_475', ['pmegpuprogramimpl', ['../structPmeGpuProgramImpl.xhtml', 1, 'PmeGpuProgramImpl'],\n-        ['../structPmeGpuProgramImpl.xhtml#aaa32b034422bc8368663a7399f35780e', 1, 'PmeGpuProgramImpl::PmeGpuProgramImpl()']\n+    ['pmegpuprogramimpl_475', ['pmegpuprogramimpl', ['../structPmeGpuProgramImpl.xhtml#aaa32b034422bc8368663a7399f35780e', 1, 'PmeGpuProgramImpl::PmeGpuProgramImpl()'],\n+        ['../structPmeGpuProgramImpl.xhtml', 1, 'PmeGpuProgramImpl']\n     ]],\n     ['pmegpuprogramstorage_476', ['PmeGpuProgramStorage', ['../pme__gpu__program_8h.xhtml#a97971c4f6d1aaf179563e021309fe680', 1, 'pme_gpu_program.h']]],\n     ['pmegpusettings_477', ['PmeGpuSettings', ['../structPmeGpuSettings.xhtml', 1, '']]],\n-    ['pmegpuspecific_478', ['pmegpuspecific', ['../structPmeGpuSpecific.xhtml#a1bee1e0810c2c0eb7b06c953416e193f', 1, 'PmeGpuSpecific::PmeGpuSpecific()'],\n+    ['pmegpuspecific_478', ['pmegpuspecific', ['../pme__gpu__types__host_8h.xhtml#a13767aeede40e21d6edf8d835df9705f', 1, 'PmeGpuSpecific:&#160;pme_gpu_types_host.h'],\n         ['../structPmeGpuSpecific.xhtml', 1, 'PmeGpuSpecific'],\n-        ['../pme__gpu__types__host_8h.xhtml#a13767aeede40e21d6edf8d835df9705f', 1, 'PmeGpuSpecific:&#160;pme_gpu_types_host.h']\n+        ['../structPmeGpuSpecific.xhtml#a1bee1e0810c2c0eb7b06c953416e193f', 1, 'PmeGpuSpecific::PmeGpuSpecific()']\n     ]],\n     ['pmegpustageatomdata_479', ['pmeGpuStageAtomData', ['../pme__gpu__calculate__splines__sycl_8h.xhtml#af5c60e250e572e1bab33ccf09a24f01e', 1, 'pme_gpu_calculate_splines_sycl.h']]],\n     ['pmegpustaging_480', ['PmeGpuStaging', ['../structPmeGpuStaging.xhtml', 1, '']]],\n     ['pmegpuwaitandreduce_481', ['pmeGpuWaitAndReduce', ['../namespacegmx.xhtml#a3db2e0fcedab51584c0e640bbb5e9d46', 1, 'gmx']]],\n     ['pmegridnk_482', ['pmegridNk', ['../structPmeShared.xhtml#aef67175d75c261387ce7806141fdd796', 1, 'PmeShared']]],\n     ['pmegridsreadyforspread_483', ['pmeGridsReadyForSpread', ['../structPmeGpuSpecific.xhtml#a16feeb45c5bbaccf371d415251bb08b2', 1, 'PmeGpuSpecific']]],\n     ['pmeinitatoms_484', ['pmeInitAtoms', ['../namespacegmx_1_1test.xhtml#a3e3a948e52ee4f5b89c7113898fa9950', 1, 'gmx::test']]],\n     ['pmeinitempty_485', ['pmeInitEmpty', ['../namespacegmx_1_1test.xhtml#a93750fdb415cd0b6e5af3bfd1d465620', 1, 'gmx::test']]],\n     ['pmeinitwrapper_486', ['pmeInitWrapper', ['../namespacegmx_1_1test.xhtml#a69d8e5a058f4ad0cd18db46460be6f9a', 1, 'gmx::test']]],\n     ['pmekernelhandle_487', ['PmeKernelHandle', ['../structPmeGpuProgramImpl.xhtml#a946b4419ceb5cf4690681c6d70eb162c', 1, 'PmeGpuProgramImpl']]],\n     ['pmelayouttransform_488', ['PmeLayoutTransform', ['../namespacegmx_1_1test.xhtml#a4cb48f76aa8db3fdb07bc098706982ab', 1, 'gmx::test']]],\n-    ['pmeloadbalancehelper_489', ['pmeloadbalancehelper', ['../classgmx_1_1PmeLoadBalanceHelper.xhtml#a25a8cd34365febe90aec1d32ab9d541b', 1, 'gmx::PmeLoadBalanceHelper::PmeLoadBalanceHelper()'],\n-        ['../classgmx_1_1PmeLoadBalanceHelper.xhtml', 1, 'gmx::PmeLoadBalanceHelper']\n+    ['pmeloadbalancehelper_489', ['pmeloadbalancehelper', ['../classgmx_1_1PmeLoadBalanceHelper.xhtml', 1, 'gmx::PmeLoadBalanceHelper'],\n+        ['../classgmx_1_1PmeLoadBalanceHelper.xhtml#a25a8cd34365febe90aec1d32ab9d541b', 1, 'gmx::PmeLoadBalanceHelper::PmeLoadBalanceHelper()']\n     ]],\n     ['pmeloadbalancehelper_20tt_490', ['&lt;tt&gt;DomDecHelper&lt;/tt&gt; and &lt;tt&gt;PmeLoadBalanceHelper&lt;/tt&gt;', ['../page_modularsimulator.xhtml#autotoc_md41', 1, '']]],\n     ['pmeloadbalancehelper_2ecpp_491', ['pmeloadbalancehelper.cpp', ['../pmeloadbalancehelper_8cpp.xhtml', 1, '']]],\n     ['pmeloadbalancehelper_2eh_492', ['pmeloadbalancehelper.h', ['../pmeloadbalancehelper_8h.xhtml', 1, '']]],\n     ['pmeloadbalancinglimit_493', ['PmeLoadBalancingLimit', ['../pme__load__balancing_8cpp.xhtml#a152d9b1c10ef8fcfda644eb9e0704a3c', 1, 'pme_load_balancing.cpp']]],\n     ['pmeperformgather_494', ['pmePerformGather', ['../namespacegmx_1_1test.xhtml#a5b568c9ce545ed5b81aab09b839307ad', 1, 'gmx::test']]],\n     ['pmeperformsolve_495', ['pmePerformSolve', ['../namespacegmx_1_1test.xhtml#a56aae96ca19e204f55fa12d7048c09ea', 1, 'gmx::test']]],\n     ['pmeperformsplineandspread_496', ['pmePerformSplineAndSpread', ['../namespacegmx_1_1test.xhtml#a1ca32a3032115f7d3287676d2c0e6f17', 1, 'gmx::test']]],\n-    ['pmepotentialcorrection_497', ['pmepotentialcorrection', ['../namespacegmx.xhtml#acba0166c05fec69dd4a2624ed8dcff95', 1, 'gmx::pmePotentialCorrection(double z2)'],\n-        ['../namespacegmx.xhtml#ac54e81f11cb53c7d68ff7dab05bd6afd', 1, 'gmx::pmePotentialCorrection(float z2)']\n+    ['pmepotentialcorrection_497', ['pmepotentialcorrection', ['../namespacegmx.xhtml#ac54e81f11cb53c7d68ff7dab05bd6afd', 1, 'gmx::pmePotentialCorrection(float z2)'],\n+        ['../namespacegmx.xhtml#acba0166c05fec69dd4a2624ed8dcff95', 1, 'gmx::pmePotentialCorrection(double z2)']\n     ]],\n     ['pmepotentialcorrectionsingleaccuracy_498', ['pmePotentialCorrectionSingleAccuracy', ['../namespacegmx.xhtml#ab8004b2507f7192ead653fcdcb6735fe', 1, 'gmx']]],\n     ['pmeppcommgpu_499', ['pmeppcommgpu', ['../classgmx_1_1PmePpCommGpu.xhtml#ad6faf3fc85e8c1881e3f16d5e6a7ed34', 1, 'gmx::PmePpCommGpu::PmePpCommGpu()'],\n         ['../classgmx_1_1PmePpCommGpu.xhtml', 1, 'gmx::PmePpCommGpu']\n     ]],\n     ['pmepptransfer_500', ['PmePpTransfer', ['../namespacegmx.xhtml#a90e1f148d98685136b343e0a20d3c2e5a13b8e77399a0dac4074b4f84806d814d', 1, 'gmx']]],\n     ['pmeprinting_501', ['pmePrinting', ['../classgmx_1_1PmeLoadBalanceHelper.xhtml#a8436afe7313d62bd16fa218ba9d23f06', 1, 'gmx::PmeLoadBalanceHelper']]],\n@@ -886,16 +886,16 @@\n     ['pmesafepointer_506', ['PmeSafePointer', ['../namespacegmx_1_1test.xhtml#aaaa8ca0139f36a88f147667766fc7e50', 1, 'gmx::test']]],\n     ['pmesetcomplexgrid_507', ['pmeSetComplexGrid', ['../namespacegmx_1_1test.xhtml#a76d5841422c11fe3d258a694fdf0a083', 1, 'gmx::test']]],\n     ['pmesetgridinternal_508', ['pmeSetGridInternal', ['../namespacegmx_1_1test.xhtml#aa933911917b91a9f4feb3101346d7c58', 1, 'gmx::test']]],\n     ['pmesetgridlineindices_509', ['pmeSetGridLineIndices', ['../namespacegmx_1_1test.xhtml#ae66750768968973c5bff3e8d080188bb', 1, 'gmx::test']]],\n     ['pmesetrealgrid_510', ['pmeSetRealGrid', ['../namespacegmx_1_1test.xhtml#a8e7c43d3dc91d10d7428bfcb3c229706', 1, 'gmx::test']]],\n     ['pmesetsplinedata_511', ['pmeSetSplineData', ['../namespacegmx_1_1test.xhtml#a3b2ab56f6d1dd12ead96b688493b1f3e', 1, 'gmx::test']]],\n     ['pmeshared_512', ['PmeShared', ['../structPmeShared.xhtml', 1, '']]],\n-    ['pmesolve_513', ['pmesolve', ['../classPmeSolve.xhtml#ad672edb3e89e2a2825ecf48160945732', 1, 'PmeSolve::PmeSolve()'],\n-        ['../classPmeSolve.xhtml', 1, 'PmeSolve']\n+    ['pmesolve_513', ['pmesolve', ['../classPmeSolve.xhtml', 1, 'PmeSolve'],\n+        ['../classPmeSolve.xhtml#ad672edb3e89e2a2825ecf48160945732', 1, 'PmeSolve::PmeSolve()']\n     ]],\n     ['pmesolvealgorithm_514', ['PmeSolveAlgorithm', ['../namespacegmx_1_1test.xhtml#aae704855e34974fe284f44e80a0cfadd', 1, 'gmx::test']]],\n     ['pmesolvekernel_515', ['PmeSolveKernel', ['../classPmeSolveKernel.xhtml', 1, '']]],\n     ['pmesolvetest_2ecpp_516', ['pmesolvetest.cpp', ['../pmesolvetest_8cpp.xhtml', 1, '']]],\n     ['pmesplineandspreadkernel_517', ['pmeSplineAndSpreadKernel', ['../pme__spread__sycl_8cpp.xhtml#a0ea1c4d722243575b37fc4927244b1d2', 1, 'pme_spread_sycl.cpp']]],\n     ['pmesplinedatatype_518', ['PmeSplineDataType', ['../pme__gpu__internal_8h.xhtml#a0f754eebaa9461af5829e9d32c8156cb', 1, 'pme_gpu_internal.h']]],\n     ['pmesplinespreadtest_2ecpp_519', ['pmesplinespreadtest.cpp', ['../pmesplinespreadtest_8cpp.xhtml', 1, '']]],\n@@ -910,50 +910,50 @@\n     ['pmf_528', ['pmf', ['../namespaceanonymous__namespace_02gmx__awh_8cpp_03.xhtml#a600536d6baf212ecc56d278f2a0e3e59a84c75a906e1e7548f6df1e4e3aa3af52', 1, 'anonymous_namespace{gmx_awh.cpp}::Pmf'],\n         ['../namespacegmx.xhtml#aed0429233bc357e419dafee7b8bd1344a84c75a906e1e7548f6df1e4e3aa3af52', 1, 'gmx::Pmf']\n     ]],\n     ['point_529', ['point', ['../classgmx_1_1BiasGrid.xhtml#a9580f519d30dc81342ad890187d13edc', 1, 'gmx::BiasGrid']]],\n     ['point_20data_530', ['Floating-point data', ['../page_simd.xhtml#autotoc_md60', 1, '']]],\n     ['point_20values_531', ['Integers corresponding to floating-point values', ['../page_simd.xhtml#autotoc_md61', 1, '']]],\n     ['pointdistancealongaxis_532', ['pointDistanceAlongAxis', ['../namespacegmx.xhtml#a9980e0f1eac7ff209652d8cecb1eca36', 1, 'gmx']]],\n-    ['pointer_533', ['pointer', ['../structgmx_1_1EnumerationArray.xhtml#a49a356bfb08d78cfe5e4a9e31b96367e', 1, 'gmx::EnumerationArray::pointer'],\n-        ['../classgmx_1_1ArrayRefWithPadding.xhtml#ae5525f7b3c732a93f675b4280cc10e7d', 1, 'gmx::ArrayRefWithPadding::pointer'],\n+    ['pointer_533', ['pointer', ['../classgmx_1_1ArrayRefWithPadding.xhtml#ae5525f7b3c732a93f675b4280cc10e7d', 1, 'gmx::ArrayRefWithPadding::pointer'],\n+        ['../classgmx_1_1accessor__basic.xhtml#af82d407a1ceb60e6c53ba95587199719', 1, 'gmx::accessor_basic::pointer'],\n         ['../classgmx_1_1basic__mdspan.xhtml#afcdc192280a9292909fdc9517e323090', 1, 'gmx::basic_mdspan::pointer'],\n         ['../classgmx_1_1internal_1_1SimdArrayRef.xhtml#a3e88ccc15552d68e12105aebcbf1b7f9', 1, 'gmx::internal::SimdArrayRef::pointer'],\n         ['../classgmx_1_1FixedCapacityVector.xhtml#a06373345a99c67a2e0d12372a13f2a91', 1, 'gmx::FixedCapacityVector::pointer'],\n         ['../classgmx_1_1ArrayRef.xhtml#a7d3b7bcef0b244efc5d3da2fe2278390', 1, 'gmx::ArrayRef::pointer'],\n-        ['../classgmx_1_1accessor__basic.xhtml#af82d407a1ceb60e6c53ba95587199719', 1, 'gmx::accessor_basic::pointer']\n+        ['../structgmx_1_1EnumerationArray.xhtml#a49a356bfb08d78cfe5e4a9e31b96367e', 1, 'gmx::EnumerationArray::pointer']\n     ]],\n     ['pointers_2ecpp_534', ['pointers.cpp', ['../pointers_8cpp.xhtml', 1, '']]],\n     ['pointers_2eh_535', ['pointers.h', ['../pointers_8h.xhtml', 1, '']]],\n     ['points_536', ['points', ['../classgmx_1_1BiasState.xhtml#a3ac116746718cc0af400eb6c49e23e8b', 1, 'gmx::BiasState']]],\n-    ['pointsadded_537', ['pointsadded', ['../classgmx_1_1AnalysisDataLifetimeModule.xhtml#aa5bc505d9b2c6f4e28b2ae8279dc9635', 1, 'gmx::AnalysisDataLifetimeModule::pointsAdded()'],\n+    ['pointsadded_537', ['pointsadded', ['../classgmx_1_1AnalysisDataModuleParallel.xhtml#a5b851f02915d11a13791ce5e7d49ab9d', 1, 'gmx::AnalysisDataModuleParallel::pointsAdded()'],\n+        ['../classgmx_1_1AnalysisDataAverageModule.xhtml#aa73d00aa098a1f4dff8d9ab52c1b7400', 1, 'gmx::AnalysisDataAverageModule::pointsAdded()'],\n         ['../classgmx_1_1AnalysisDataVectorPlotModule.xhtml#a1f5b2dbab42eb4ca8ce85d8324432824', 1, 'gmx::AnalysisDataVectorPlotModule::pointsAdded()'],\n         ['../classgmx_1_1AnalysisDataPlotModule.xhtml#a32ac3ced4c11a10e20775a32ee5d349b', 1, 'gmx::AnalysisDataPlotModule::pointsAdded()'],\n         ['../classgmx_1_1AbstractPlotModule.xhtml#adcf1de40fc5879c1a12532635e81d479', 1, 'gmx::AbstractPlotModule::pointsAdded()'],\n+        ['../classgmx_1_1AnalysisDataLifetimeModule.xhtml#aa5bc505d9b2c6f4e28b2ae8279dc9635', 1, 'gmx::AnalysisDataLifetimeModule::pointsAdded()'],\n         ['../classgmx_1_1AnalysisDataBinAverageModule.xhtml#ada35de8665d5e2514f9b742fa668e3a2', 1, 'gmx::AnalysisDataBinAverageModule::pointsAdded()'],\n         ['../classgmx_1_1AnalysisDataWeightedHistogramModule.xhtml#a86f6a46cf64108dbab34f4faff53d011', 1, 'gmx::AnalysisDataWeightedHistogramModule::pointsAdded()'],\n         ['../classgmx_1_1AnalysisDataSimpleHistogramModule.xhtml#ad0b6d871e1cae3cb49af5b5c3329e3eb', 1, 'gmx::AnalysisDataSimpleHistogramModule::pointsAdded()'],\n-        ['../classgmx_1_1AnalysisDataFrameAverageModule.xhtml#ace93b671432df57c1f885d82c2fa2818', 1, 'gmx::AnalysisDataFrameAverageModule::pointsAdded()'],\n-        ['../classgmx_1_1AnalysisDataAverageModule.xhtml#aa73d00aa098a1f4dff8d9ab52c1b7400', 1, 'gmx::AnalysisDataAverageModule::pointsAdded()'],\n-        ['../classgmx_1_1AnalysisDataModuleParallel.xhtml#a5b851f02915d11a13791ce5e7d49ab9d', 1, 'gmx::AnalysisDataModuleParallel::pointsAdded()'],\n-        ['../classgmx_1_1AnalysisDataDisplacementModule.xhtml#ad17650bcebc55264c9fc8dcfc4e35e3d', 1, 'gmx::AnalysisDataDisplacementModule::pointsAdded()'],\n         ['../classgmx_1_1AnalysisDataModuleSerial.xhtml#a26723206e33708251bbba70eed673f44', 1, 'gmx::AnalysisDataModuleSerial::pointsAdded()'],\n         ['../classgmx_1_1IAnalysisDataModule.xhtml#af7097e86905c7133ccfd2242fbca9ad0', 1, 'gmx::IAnalysisDataModule::pointsAdded()'],\n         ['../classgmx_1_1analysismodules_1_1anonymous__namespace_02select_8cpp_03_1_1IndexFileWriterModule.xhtml#abd4b1bd4f780c858218c2ed853002b20', 1, 'gmx::analysismodules::anonymous_namespace{select.cpp}::IndexFileWriterModule::pointsAdded()'],\n+        ['../classgmx_1_1internal_1_1BasicAverageHistogramModule.xhtml#a76d3359cbb6ec62060a543b03ef18509', 1, 'gmx::internal::BasicAverageHistogramModule::pointsAdded()'],\n+        ['../classgmx_1_1AnalysisDataDisplacementModule.xhtml#ad17650bcebc55264c9fc8dcfc4e35e3d', 1, 'gmx::AnalysisDataDisplacementModule::pointsAdded()'],\n         ['../classgmx_1_1AnalysisDataProxy.xhtml#a59635a206ddc8987538955f3a36c5cd9', 1, 'gmx::AnalysisDataProxy::pointsAdded()'],\n-        ['../classgmx_1_1internal_1_1BasicAverageHistogramModule.xhtml#a76d3359cbb6ec62060a543b03ef18509', 1, 'gmx::internal::BasicAverageHistogramModule::pointsAdded()']\n+        ['../classgmx_1_1AnalysisDataFrameAverageModule.xhtml#ace93b671432df57c1f885d82c2fa2818', 1, 'gmx::AnalysisDataFrameAverageModule::pointsAdded()']\n     ]],\n     ['pointsalonglambdaaxis_538', ['pointsAlongLambdaAxis', ['../namespacegmx.xhtml#aff07c7a9ebdd29aa1584af5d8820afcc', 1, 'gmx']]],\n-    ['pointset_539', ['pointset', ['../classgmx_1_1AnalysisDataFrameRef.xhtml#a780adb8176b23a810eb167b70723a8d9', 1, 'gmx::AnalysisDataFrameRef::pointSet()'],\n+    ['pointset_539', ['pointset', ['../classgmx_1_1test_1_1AnalysisDataTestInputFrame.xhtml#ad2e8bad8fb18c4e8a73342323bae7278', 1, 'gmx::test::AnalysisDataTestInputFrame::pointSet()'],\n         ['../classgmx_1_1internal_1_1AnalysisDataStorageFrameData.xhtml#a98d9a081734b5a125b0f8d72013e5de6', 1, 'gmx::internal::AnalysisDataStorageFrameData::pointSet()'],\n-        ['../classgmx_1_1test_1_1AnalysisDataTestInputFrame.xhtml#ad2e8bad8fb18c4e8a73342323bae7278', 1, 'gmx::test::AnalysisDataTestInputFrame::pointSet()']\n+        ['../classgmx_1_1AnalysisDataFrameRef.xhtml#a780adb8176b23a810eb167b70723a8d9', 1, 'gmx::AnalysisDataFrameRef::pointSet(int index) const']\n     ]],\n     ['pointsetcount_540', ['pointsetcount', ['../classgmx_1_1AnalysisDataFrameRef.xhtml#a61c2ee6ccfc1bc2d0d53023676a18fba', 1, 'gmx::AnalysisDataFrameRef::pointSetCount()'],\n-        ['../classgmx_1_1test_1_1AnalysisDataTestInputFrame.xhtml#ac9c5ce5f1cf9f40a432a04e95c41b373', 1, 'gmx::test::AnalysisDataTestInputFrame::pointSetCount()'],\n-        ['../classgmx_1_1internal_1_1AnalysisDataStorageFrameData.xhtml#a6e0a2eb1e875073499c25f0d692e728c', 1, 'gmx::internal::AnalysisDataStorageFrameData::pointSetCount()']\n+        ['../classgmx_1_1internal_1_1AnalysisDataStorageFrameData.xhtml#a6e0a2eb1e875073499c25f0d692e728c', 1, 'gmx::internal::AnalysisDataStorageFrameData::pointSetCount()'],\n+        ['../classgmx_1_1test_1_1AnalysisDataTestInputFrame.xhtml#ac9c5ce5f1cf9f40a432a04e95c41b373', 1, 'gmx::test::AnalysisDataTestInputFrame::pointSetCount()']\n     ]],\n     ['pointshavedifferentlambda_541', ['pointsHaveDifferentLambda', ['../namespacegmx.xhtml#aae9bf2b5e56f777f3c61fddadcbb78cb', 1, 'gmx']]],\n     ['pointstate_542', ['pointstate', ['../classgmx_1_1PointState.xhtml', 1, 'gmx::PointState'],\n         ['../classgmx_1_1PointState.xhtml#a2141bf32d5fe8de87bd0769221d9d831', 1, 'gmx::PointState::PointState()']\n     ]],\n     ['pointstate_2ecpp_543', ['pointstate.cpp', ['../pointstate_8cpp.xhtml', 1, '']]],\n     ['pointstate_2eh_544', ['pointstate.h', ['../pointstate_8h.xhtml', 1, '']]],\n@@ -980,20 +980,20 @@\n     ['pos_5fforces_559', ['POS_FORCES', ['../poscalc_8h.xhtml#a1d2128603326a76171d1d3c0e2cd2f44', 1, 'poscalc.h']]],\n     ['pos_5fmaskonly_560', ['POS_MASKONLY', ['../poscalc_8h.xhtml#a3586daeaab8b4ff970ae759b3677e7fd', 1, 'poscalc.h']]],\n     ['pos_5fmass_561', ['POS_MASS', ['../poscalc_8h.xhtml#ae2fb2ab85a6006e1061ed6af99c1f39f', 1, 'poscalc.h']]],\n     ['pos_5fmol_562', ['POS_MOL', ['../poscalc_8h.xhtml#abda45ad4bf42febbe957a08c4ee291c2a832073c54a9cb1a05ae87c25315fcd7e', 1, 'poscalc.h']]],\n     ['pos_5fres_563', ['POS_RES', ['../poscalc_8h.xhtml#abda45ad4bf42febbe957a08c4ee291c2a6e4eae73e805ce492df6c75c55ab712a', 1, 'poscalc.h']]],\n     ['pos_5fvalue_564', ['POS_VALUE', ['../selvalue_8h.xhtml#a70b42b87d434580bf1493591857b8beca31a47fbfbc85ad1472ce3d2a168fd1ec', 1, 'selvalue.h']]],\n     ['pos_5fvelocities_565', ['POS_VELOCITIES', ['../poscalc_8h.xhtml#a809bf5cbef405aeb9bc497aa54f3c5f0', 1, 'poscalc.h']]],\n-    ['poscalc_2ecpp_566', ['poscalc.cpp', ['../tests_2poscalc_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../poscalc_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['poscalc_2ecpp_566', ['poscalc.cpp', ['../poscalc_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2poscalc_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['poscalc_2eh_567', ['poscalc.h', ['../poscalc_8h.xhtml', 1, '']]],\n-    ['poscount_568', ['poscount', ['../classgmx_1_1Selection.xhtml#ac01e4247bdc9f727b4dffc28cf423f3c', 1, 'gmx::Selection::posCount()'],\n-        ['../classgmx_1_1internal_1_1SelectionData.xhtml#aad49c4ea69ef0cc81207383b4ba5cfb5', 1, 'gmx::internal::SelectionData::posCount()']\n+    ['poscount_568', ['poscount', ['../classgmx_1_1internal_1_1SelectionData.xhtml#aad49c4ea69ef0cc81207383b4ba5cfb5', 1, 'gmx::internal::SelectionData::posCount()'],\n+        ['../classgmx_1_1Selection.xhtml#ac01e4247bdc9f727b4dffc28cf423f3c', 1, 'gmx::Selection::posCount() const']\n     ]],\n     ['position_569', ['position', ['../classgmx_1_1Selection.xhtml#a7b9d71d9e03043491c475a683f73587b', 1, 'gmx::Selection']]],\n     ['position_20swapping_20swap_570', ['&quot;Computational Electrophysiology&quot; position swapping (swap)', ['../group__module__swap.xhtml', 1, '']]],\n     ['position_2ecpp_571', ['position.cpp', ['../position_8cpp.xhtml', 1, '']]],\n     ['position_2eh_572', ['position.h', ['../position_8h.xhtml', 1, '']]],\n     ['position_5fdistance_573', ['position_distance', ['../classgmx_1_1ColvarProxyGromacs.xhtml#a14f11157569bf72288adc0fe5768e5fc', 1, 'gmx::ColvarProxyGromacs']]],\n     ['position_5frestraints_2ecpp_574', ['position_restraints.cpp', ['../position__restraints_8cpp.xhtml', 1, '(Global Namespace)'],\n@@ -1001,43 +1001,43 @@\n     ]],\n     ['position_5frestraints_2eh_575', ['position_restraints.h', ['../position__restraints_8h.xhtml', 1, '']]],\n     ['positionandamplitude_576', ['PositionAndAmplitude', ['../structgmx_1_1GaussianSpreadKernelParameters_1_1PositionAndAmplitude.xhtml', 1, 'gmx::GaussianSpreadKernelParameters']]],\n     ['positioncalculationcollection_577', ['positioncalculationcollection', ['../classgmx_1_1PositionCalculationCollection.xhtml#aef3a4272761b50e6f351a53360d89a3d', 1, 'gmx::PositionCalculationCollection::PositionCalculationCollection()'],\n         ['../classgmx_1_1PositionCalculationCollection.xhtml', 1, 'gmx::PositionCalculationCollection']\n     ]],\n     ['positionoffset_578', ['positionOffset', ['../structgmx_1_1MttkPropagatorConnectionDetails.xhtml#aea7d4003b9200b259afe520937dbfe3c', 1, 'gmx::MttkPropagatorConnectionDetails']]],\n-    ['positions_579', ['positions', ['../namespacegmx.xhtml#acfece32c8b80f289300eab6a3d38796ca3160eb21973806e4291c3979d4aa242e', 1, 'gmx::Positions'],\n-        ['../namespacegmx_1_1test_1_1anonymous__namespace_02updategroupscog_8cpp_03.xhtml#a1d7b92752da9be32558c2d13eddd84a7', 1, 'gmx::test::anonymous_namespace{updategroupscog.cpp}::positions']\n+    ['positions_579', ['positions', ['../namespacegmx_1_1test_1_1anonymous__namespace_02updategroupscog_8cpp_03.xhtml#a1d7b92752da9be32558c2d13eddd84a7', 1, 'gmx::test::anonymous_namespace{updategroupscog.cpp}::positions'],\n+        ['../namespacegmx.xhtml#acfece32c8b80f289300eab6a3d38796ca3160eb21973806e4291c3979d4aa242e', 1, 'gmx::Positions']\n     ]],\n     ['positionsandvelocities_580', ['PositionsAndVelocities', ['../namespacegmx.xhtml#acfece32c8b80f289300eab6a3d38796cad3b078b311589ad4f94c755832ef725e', 1, 'gmx']]],\n     ['positionscalingcallback_581', ['positionScalingCallback', ['../classgmx_1_1Propagator.xhtml#ac9a40ecf45c6079ba2b3468daefb435f', 1, 'gmx::Propagator']]],\n     ['positionsdatabase_5f_582', ['positionsDatabase_', ['../classgmx_1_1test_1_1anonymous__namespace_02shake_8cpp_03_1_1ShakeTest.xhtml#ad75c68cc51ffc4531d407f011a4d6ef6', 1, 'gmx::test::anonymous_namespace{shake.cpp}::ShakeTest']]],\n     ['positionsfromstatepointer_583', ['positionsFromStatePointer', ['../state_8h.xhtml#a22b7ca0d7d3996a20a72968938a80ba6', 1, 'state.h']]],\n     ['positionsonly_584', ['PositionsOnly', ['../group__module__modularsimulator.xhtml#gga93e79323b6317b2185ad6613a20fa290aa8c00c1476cfbfe7441cf0f15fa06bc1', 1, 'gmx']]],\n     ['positionsview_585', ['positionsView', ['../classgmx_1_1StatePropagatorData.xhtml#af6c40b68aabb89ee5233dbabebf98864', 1, 'gmx::StatePropagatorData']]],\n     ['positionsymbol_586', ['PositionSymbol', ['../classgmx_1_1SelectionParserSymbol.xhtml#ae1aa823f90fa95c285240878c93d295fad0f3a23ad1e73286b34f61ee68672b3e', 1, 'gmx::SelectionParserSymbol']]],\n     ['posres_587', ['posres', ['../namespaceanonymous__namespace_02position__restraints_8cpp_03.xhtml#ae8723186b9bb707506acc0a326ca214f', 1, 'anonymous_namespace{position_restraints.cpp}']]],\n     ['posres_5fdx_588', ['posres_dx', ['../namespaceanonymous__namespace_02position__restraints_8cpp_03.xhtml#a3c4d10324cfff742c83657792cd70ce1', 1, 'anonymous_namespace{position_restraints.cpp}']]],\n-    ['posres_5fwrapper_589', ['posres_wrapper', ['../position__restraints_8cpp.xhtml#a1c4990a93b04b1744b635492a3be9c22', 1, 'posres_wrapper(gmx::ArrayRef&lt; const int &gt; iatoms, gmx::ArrayRef&lt; const t_iparams &gt; iparamsPosres, const t_pbc &amp;pbc, const rvec *x, gmx::ArrayRef&lt; const real &gt; lambda, const t_forcerec *fr, const gmx::ArrayRef&lt; const unsigned short &gt; refScaleComIndices, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassScaledBuffer, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassBScaledBuffer, gmx::ArrayRef&lt; rvec4 &gt; forces, gmx::RVec *virial, real *dvdl):&#160;position_restraints.cpp'],\n-        ['../position__restraints_8h.xhtml#a1c4990a93b04b1744b635492a3be9c22', 1, 'posres_wrapper(gmx::ArrayRef&lt; const int &gt; iatoms, gmx::ArrayRef&lt; const t_iparams &gt; iparamsPosres, const t_pbc &amp;pbc, const rvec *x, gmx::ArrayRef&lt; const real &gt; lambda, const t_forcerec *fr, const gmx::ArrayRef&lt; const unsigned short &gt; refScaleComIndices, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassScaledBuffer, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassBScaledBuffer, gmx::ArrayRef&lt; rvec4 &gt; forces, gmx::RVec *virial, real *dvdl):&#160;position_restraints.cpp']\n+    ['posres_5fwrapper_589', ['posres_wrapper', ['../position__restraints_8h.xhtml#a1c4990a93b04b1744b635492a3be9c22', 1, 'posres_wrapper(gmx::ArrayRef&lt; const int &gt; iatoms, gmx::ArrayRef&lt; const t_iparams &gt; iparamsPosres, const t_pbc &amp;pbc, const rvec *x, gmx::ArrayRef&lt; const real &gt; lambda, const t_forcerec *fr, const gmx::ArrayRef&lt; const unsigned short &gt; refScaleComIndices, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassScaledBuffer, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassBScaledBuffer, gmx::ArrayRef&lt; rvec4 &gt; forces, gmx::RVec *virial, real *dvdl):&#160;position_restraints.cpp'],\n+        ['../position__restraints_8cpp.xhtml#a1c4990a93b04b1744b635492a3be9c22', 1, 'posres_wrapper(gmx::ArrayRef&lt; const int &gt; iatoms, gmx::ArrayRef&lt; const t_iparams &gt; iparamsPosres, const t_pbc &amp;pbc, const rvec *x, gmx::ArrayRef&lt; const real &gt; lambda, const t_forcerec *fr, const gmx::ArrayRef&lt; const unsigned short &gt; refScaleComIndices, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassScaledBuffer, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassBScaledBuffer, gmx::ArrayRef&lt; rvec4 &gt; forces, gmx::RVec *virial, real *dvdl):&#160;position_restraints.cpp']\n     ]],\n     ['posres_5fwrapper_5flambda_590', ['posres_wrapper_lambda', ['../position__restraints_8h.xhtml#a4e01c646def2d038cc374a83bf721751', 1, 'posres_wrapper_lambda(struct gmx_wallcycle *wcycle, const InteractionDefinitions &amp;idef, const t_pbc &amp;pbc, const rvec x[], gmx_enerdata_t *enerd, gmx::ArrayRef&lt; const real &gt; lambda, const t_forcerec *fr, const gmx::ArrayRef&lt; const unsigned short &gt; refScaleComIndices, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassScaledBuffer, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassBScaledBuffer):&#160;position_restraints.cpp'],\n         ['../position__restraints_8cpp.xhtml#a4e01c646def2d038cc374a83bf721751', 1, 'posres_wrapper_lambda(struct gmx_wallcycle *wcycle, const InteractionDefinitions &amp;idef, const t_pbc &amp;pbc, const rvec x[], gmx_enerdata_t *enerd, gmx::ArrayRef&lt; const real &gt; lambda, const t_forcerec *fr, const gmx::ArrayRef&lt; const unsigned short &gt; refScaleComIndices, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassScaledBuffer, gmx::ArrayRef&lt; gmx::RVec &gt; centersOfMassBScaledBuffer):&#160;position_restraints.cpp']\n     ]],\n     ['posres_5fxa_591', ['posres_xA', ['../structgmx__molblock__t.xhtml#a91f1775f42ddf8a37ad39b0b7459d267', 1, 'gmx_molblock_t']]],\n     ['posres_5fxb_592', ['posres_xB', ['../structgmx__molblock__t.xhtml#a5b3613d862d2a95219d7777ee428a636', 1, 'gmx_molblock_t']]],\n     ['postprocess_5fitem_5fsubexpressions_593', ['postprocess_item_subexpressions', ['../compiler_8cpp.xhtml#a794bd695ad208084dc7018e4c90735c1', 1, 'compiler.cpp']]],\n     ['postprocessforces_594', ['postProcessForces', ['../namespacegmx.xhtml#a6df04b142f03474fd77dd1b6f370553f', 1, 'gmx']]],\n     ['postprocessforcewithshiftforces_595', ['postProcessForceWithShiftForces', ['../namespacegmx.xhtml#a66e4fbbc6684439ec7c3246d6be3bc31', 1, 'gmx']]],\n     ['potanglefit_596', ['PotAngleFit', ['../structgmx__enfrotgrp.xhtml#a4cc2873968b4ca417ed95b384e0071f6', 1, 'gmx_enfrotgrp']]],\n     ['potential_597', ['potential', ['../classgmx_1_1AwhParams.xhtml#acb463578c26791ab925cbccf9b80a54c', 1, 'gmx::AwhParams']]],\n     ['potentialenergytoleranceforsystem_5fg_598', ['potentialEnergyToleranceForSystem_g', ['../namespacegmx_1_1test_1_1anonymous__namespace_02minimize_8cpp_03.xhtml#ad5974d97a10a30cde5ab5fd313209934', 1, 'gmx::test::anonymous_namespace{minimize.cpp}']]],\n     ['potentialpointdata_599', ['potentialpointdata', ['../classgmx_1_1PotentialPointData.xhtml', 1, 'gmx::PotentialPointData'],\n-        ['../classgmx_1_1PotentialPointData.xhtml#a8e8485dce1b281d718953552e9d53f6b', 1, 'gmx::PotentialPointData::PotentialPointData()'],\n-        ['../classgmx_1_1PotentialPointData.xhtml#ac14487f6eed0c13f63ae059a67475ea9', 1, 'gmx::PotentialPointData::PotentialPointData(const Vector &amp;f, const real e)']\n+        ['../classgmx_1_1PotentialPointData.xhtml#ac14487f6eed0c13f63ae059a67475ea9', 1, 'gmx::PotentialPointData::PotentialPointData(const Vector &amp;f, const real e)'],\n+        ['../classgmx_1_1PotentialPointData.xhtml#a8e8485dce1b281d718953552e9d53f6b', 1, 'gmx::PotentialPointData::PotentialPointData()']\n     ]],\n     ['potentialswitchfunction_600', ['potentialSwitchFunction', ['../namespacegmx.xhtml#a590bff027abbf17255630f3832bdf0d5', 1, 'gmx']]],\n     ['potentialswitchfunctionderivative_601', ['potentialSwitchFunctionDerivative', ['../namespacegmx.xhtml#a76be08d6aa10394167c1f800488e5e86', 1, 'gmx']]],\n     ['power12_602', ['power12', ['../namespacegmx.xhtml#a800ac84e9ee71a2dc0eedda74bea1513', 1, 'gmx']]],\n     ['power3_603', ['power3', ['../namespacegmx.xhtml#abda6daf50f5129fb74816db29e411497', 1, 'gmx']]],\n     ['power4_604', ['power4', ['../namespacegmx.xhtml#a304b15bae3a2a8277f686d4dfc9fa946', 1, 'gmx']]],\n     ['power5_605', ['power5', ['../namespacegmx.xhtml#a4bb914d3b8bf083485bb26c88d2b9dda', 1, 'gmx']]],\n@@ -1047,16 +1047,16 @@\n     ['pp_5fpme_5fcharge_609', ['PP_PME_CHARGE', ['../pme__pp__communication_8h.xhtml#a32f4ec122146ec951b8c703d4d52d7fa', 1, 'pme_pp_communication.h']]],\n     ['ppcommatomrange_610', ['ppCommAtomRange', ['../classgmx_1_1PmeCoordinateReceiverGpu_1_1Impl.xhtml#a16bd136f94b01aba41e3b5b499bbd5b0', 1, 'gmx::PmeCoordinateReceiverGpu::Impl']]],\n     ['ppcommmanager_611', ['PpCommManager', ['../structgmx_1_1PpCommManager.xhtml', 1, 'gmx']]],\n     ['ppcommnumsenderranks_612', ['ppCommNumSenderRanks', ['../classgmx_1_1PmeCoordinateReceiverGpu_1_1Impl.xhtml#ae25743ae912d43d5b2369bc1c677c514', 1, 'gmx::PmeCoordinateReceiverGpu::Impl']]],\n     ['ppcommstream_613', ['ppCommStream', ['../classgmx_1_1PmeCoordinateReceiverGpu_1_1Impl.xhtml#a1ba294387ac23ae6d78f441f078c20c8', 1, 'gmx::PmeCoordinateReceiverGpu::Impl']]],\n     ['ppforcecommmanager_614', ['PpForceCommManager', ['../structgmx_1_1PpForceCommManager.xhtml', 1, 'gmx']]],\n     ['pprank_615', ['ppRank', ['../structgmx_1_1PpCommManager.xhtml#a3498b02875fbf9c448340c71b6b6d49b', 1, 'gmx::PpCommManager']]],\n-    ['ppranks_616', ['ppranks', ['../structPpRanks.xhtml', 1, 'PpRanks'],\n-        ['../structgmx__pme__pp.xhtml#a7b7bc15efb30ccf455406e59dc2b15e4', 1, 'gmx_pme_pp::ppRanks']\n+    ['ppranks_616', ['ppranks', ['../structgmx__pme__pp.xhtml#a7b7bc15efb30ccf455406e59dc2b15e4', 1, 'gmx_pme_pp::ppRanks'],\n+        ['../structPpRanks.xhtml', 1, 'PpRanks']\n     ]],\n     ['ppranksinfo_617', ['ppRanksInfo', ['../structPmeGpuKernelParamsBase.xhtml#a4e32ba26163edea7d0da469b9f6902cb', 1, 'PmeGpuKernelParamsBase']]],\n     ['ppranksinfosize_618', ['ppRanksInfoSize', ['../structPmeGpuKernelParamsBase.xhtml#af168d2fdc3f5d03de719f520d5d99520', 1, 'PmeGpuKernelParamsBase']]],\n     ['pprankssendfinfo_619', ['PpRanksSendFInfo', ['../structPpRanksSendFInfo.xhtml', 1, '']]],\n     ['pprms2_620', ['pprms2', ['../structt__bb.xhtml#a78c15709cb11b2e62bf13c01ecbb6368', 1, 't_bb']]],\n     ['ppstretches_621', ['PPStretches', ['../namespacegmx_1_1analysismodules_1_1anonymous__namespace_02dssp_8cpp_03.xhtml#a5df6b8fc0f4c6414509ef1e78ca01105', 1, 'gmx::analysismodules::anonymous_namespace{dssp.cpp}']]],\n     ['pr_5fbeta_622', ['pr_beta', ['../gromacs_2mdrun_2minimize_8cpp.xhtml#a11905527ebdf5178023ac299ade77c44', 1, 'minimize.cpp']]],\n@@ -1067,16 +1067,16 @@\n     ['pr_5fint64_627', ['pr_int64', ['../txtdump_8h.xhtml#a824a8160b4b8cdbf193925289351b8e4', 1, 'txtdump.cpp']]],\n     ['pr_5freal_628', ['pr_real', ['../txtdump_8h.xhtml#a75eacf863b559f26547aaa9fdca58264', 1, 'txtdump.cpp']]],\n     ['pr_5freals_629', ['pr_reals', ['../txtdump_8h.xhtml#aeba7744c5926350234d68c9c090c0055', 1, 'txtdump.h']]],\n     ['pr_5freals_5fof_5fdim_630', ['pr_reals_of_dim', ['../txtdump_8h.xhtml#a6409e046cff937b31a3e002ce8e62987', 1, 'txtdump.cpp']]],\n     ['pr_5fsortblock_631', ['pr_sortblock', ['../namespacegmx.xhtml#a0345bd9e1cccd650f3a33167767b8330', 1, 'gmx']]],\n     ['pr_5fstr_632', ['pr_str', ['../txtdump_8h.xhtml#a2d53eb96ae1892f5477a08446c6ba938', 1, 'txtdump.cpp']]],\n     ['pr_5fstrings_633', ['pr_strings', ['../txtdump_8h.xhtml#ab7c19cf341c011e9380c48a45f08945e', 1, 'txtdump.cpp']]],\n-    ['pr_5fsymtab_634', ['pr_symtab', ['../symtab_8h.xhtml#ab145748767232adc88bc7ec9435cc5be', 1, 'pr_symtab(FILE *fp, int indent, const char *title, t_symtab *symtab):&#160;symtab.cpp'],\n-        ['../symtab_8cpp.xhtml#ab145748767232adc88bc7ec9435cc5be', 1, 'pr_symtab(FILE *fp, int indent, const char *title, t_symtab *symtab):&#160;symtab.cpp']\n+    ['pr_5fsymtab_634', ['pr_symtab', ['../symtab_8cpp.xhtml#ab145748767232adc88bc7ec9435cc5be', 1, 'pr_symtab(FILE *fp, int indent, const char *title, t_symtab *symtab):&#160;symtab.cpp'],\n+        ['../symtab_8h.xhtml#ab145748767232adc88bc7ec9435cc5be', 1, 'pr_symtab(FILE *fp, int indent, const char *title, t_symtab *symtab):&#160;symtab.cpp']\n     ]],\n     ['pr_5ftitle_635', ['pr_title', ['../txtdump_8h.xhtml#a078408ce82d80e57f8210841db52968f', 1, 'txtdump.cpp']]],\n     ['pr_5ftitle_5fn_636', ['pr_title_n', ['../txtdump_8h.xhtml#a415b7a0984248fe79f632a86903ac272', 1, 'txtdump.cpp']]],\n     ['pr_5ftitle_5fnxn_637', ['pr_title_nxn', ['../txtdump_8h.xhtml#aaff92cafa6d475174d54679a6e2482e5', 1, 'txtdump.cpp']]],\n     ['practice_638', ['The subset you should use in practice', ['../page_simd.xhtml#autotoc_md63', 1, '']]],\n     ['pre_20loop_639', ['Pre-loop', ['../page_modularsimulator.xhtml#autotoc_md16', 1, '']]],\n     ['prec_640', ['prec', ['../structgmx_1_1OutputRequirements.xhtml#af02d3b025c77f0d3613e297780fb11ff', 1, 'gmx::OutputRequirements']]],\n@@ -1108,61 +1108,61 @@\n     ]],\n     ['preparemdpfilecontents_661', ['prepareMdpFileContents', ['../namespacegmx_1_1test.xhtml#af8be2536ce3f2c2e3867fa80d7f06680', 1, 'gmx::test']]],\n     ['preparemoleculesinimdgroup_662', ['prepareMoleculesInImdGroup', ['../classgmx_1_1ImdSession_1_1Impl.xhtml#a1300648ecce669b42b3158908573b291', 1, 'gmx::ImdSession::Impl']]],\n     ['prepareprevsteppullcom_663', ['preparePrevStepPullCom', ['../pull_8h.xhtml#ace0e8cabf9ba2e4c466681267fe30616', 1, 'pull.cpp']]],\n     ['prepareprevsteppullcomnewsimulation_664', ['preparePrevStepPullComNewSimulation', ['../pull_8h.xhtml#aaf91fb3c6408dd4d40dcbc60b8f3346e', 1, 'pull.h']]],\n     ['preparereferencedata_665', ['prepareReferenceData', ['../classgmx_1_1test_1_1PeriodicActionsTest.xhtml#aaf17a8df8c6213ad4bd4632c538e0d9d', 1, 'gmx::test::PeriodicActionsTest']]],\n     ['preparererunstate_666', ['prepareRerunState', ['../gromacs_2mdrun_2rerun_8cpp.xhtml#a3a61805a1314c7094d6985f312b796d3', 1, 'rerun.cpp']]],\n-    ['preparetest_667', ['preparetest', ['../classgmx_1_1test_1_1AnyOutputSupportedFiles.xhtml#abd33db6ae6c7bb966a3cf70d93eed90e', 1, 'gmx::test::AnyOutputSupportedFiles::prepareTest()'],\n-        ['../classgmx_1_1test_1_1SetAtomsSupportedFiles.xhtml#a55a125582f82a0bef2e0be090626569e', 1, 'gmx::test::SetAtomsSupportedFiles::prepareTest()'],\n+    ['preparetest_667', ['preparetest', ['../classgmx_1_1test_1_1SetAtomsSupportedFiles.xhtml#a55a125582f82a0bef2e0be090626569e', 1, 'gmx::test::SetAtomsSupportedFiles::prepareTest()'],\n         ['../classgmx_1_1test_1_1SetAtomsUnSupportedFiles.xhtml#a1472dda69601bf20c6af26c8970863d7', 1, 'gmx::test::SetAtomsUnSupportedFiles::prepareTest()'],\n-        ['../classgmx_1_1test_1_1SetVelocitySupportedFiles.xhtml#a5c721c58a519211d2984f31306d591bd', 1, 'gmx::test::SetVelocitySupportedFiles::prepareTest()'],\n         ['../classgmx_1_1test_1_1NoOptionalOutput.xhtml#a75b0b89f9b03980e5efa151f10747fb0', 1, 'gmx::test::NoOptionalOutput::prepareTest()'],\n         ['../classgmx_1_1test_1_1OutputSelectorDeathTest.xhtml#ab2c7e9ee595f837c1677769522c9707f', 1, 'gmx::test::OutputSelectorDeathTest::prepareTest()'],\n-        ['../classgmx_1_1test_1_1SetPrecisionUnSupportedFiles.xhtml#a8d07c06ca5994941a6b0d53eaf71afb6', 1, 'gmx::test::SetPrecisionUnSupportedFiles::prepareTest()'],\n-        ['../classgmx_1_1test_1_1SetPrecisionSupportedFiles.xhtml#ae99227b78afd7add07d701841a056e35', 1, 'gmx::test::SetPrecisionSupportedFiles::prepareTest()'],\n-        ['../classgmx_1_1test_1_1SetForceUnSupportedFiles.xhtml#ad6fca57625ab6f39c8854f457c40858e', 1, 'gmx::test::SetForceUnSupportedFiles::prepareTest()'],\n+        ['../classgmx_1_1test_1_1SetVelocitySupportedFiles.xhtml#a5c721c58a519211d2984f31306d591bd', 1, 'gmx::test::SetVelocitySupportedFiles::prepareTest()'],\n+        ['../classgmx_1_1test_1_1SetVelocityUnSupportedFiles.xhtml#a8fefeae96caffc87c2c27abf1dd7751e', 1, 'gmx::test::SetVelocityUnSupportedFiles::prepareTest()'],\n         ['../classgmx_1_1test_1_1SetForceSupportedFiles.xhtml#ad959f70a7f9a9268ddcb28b607d27888', 1, 'gmx::test::SetForceSupportedFiles::prepareTest()'],\n-        ['../classgmx_1_1test_1_1SetVelocityUnSupportedFiles.xhtml#a8fefeae96caffc87c2c27abf1dd7751e', 1, 'gmx::test::SetVelocityUnSupportedFiles::prepareTest()']\n+        ['../classgmx_1_1test_1_1SetForceUnSupportedFiles.xhtml#ad6fca57625ab6f39c8854f457c40858e', 1, 'gmx::test::SetForceUnSupportedFiles::prepareTest()'],\n+        ['../classgmx_1_1test_1_1SetPrecisionSupportedFiles.xhtml#ae99227b78afd7add07d701841a056e35', 1, 'gmx::test::SetPrecisionSupportedFiles::prepareTest()'],\n+        ['../classgmx_1_1test_1_1SetPrecisionUnSupportedFiles.xhtml#a8d07c06ca5994941a6b0d53eaf71afb6', 1, 'gmx::test::SetPrecisionUnSupportedFiles::prepareTest()'],\n+        ['../classgmx_1_1test_1_1AnyOutputSupportedFiles.xhtml#abd33db6ae6c7bb966a3cf70d93eed90e', 1, 'gmx::test::AnyOutputSupportedFiles::prepareTest()']\n     ]],\n     ['preparevmdforces_668', ['prepareVmdForces', ['../classgmx_1_1ImdSession_1_1Impl.xhtml#a17780bb21381fe37591b6c612b30fe76', 1, 'gmx::ImdSession::Impl']]],\n-    ['prependcontext_669', ['prependcontext', ['../classgmx_1_1GromacsException.xhtml#a1bd116912e67c096ae949ddae85afe06', 1, 'gmx::GromacsException::prependContext()'],\n-        ['../classgmx_1_1anonymous__namespace_02exceptions_8cpp_03_1_1ErrorMessage.xhtml#a35872d2133a1587fde1aac5580bddbab', 1, 'gmx::anonymous_namespace{exceptions.cpp}::ErrorMessage::prependContext()']\n+    ['prependcontext_669', ['prependcontext', ['../classgmx_1_1anonymous__namespace_02exceptions_8cpp_03_1_1ErrorMessage.xhtml#a35872d2133a1587fde1aac5580bddbab', 1, 'gmx::anonymous_namespace{exceptions.cpp}::ErrorMessage::prependContext()'],\n+        ['../classgmx_1_1GromacsException.xhtml#a1bd116912e67c096ae949ddae85afe06', 1, 'gmx::GromacsException::prependContext()']\n     ]],\n-    ['preprocess_670', ['preprocess', ['../classgmx_1_1QMMMTopologyPreprocessor.xhtml#a62a8eb1d8ab64aca76d9c1c6fbf53530', 1, 'gmx::QMMMTopologyPreprocessor::preprocess()'],\n-        ['../classgmx_1_1NNPotTopologyPreprocessor.xhtml#ad1686d5726f7554a4043e1d29fc8fc51', 1, 'gmx::NNPotTopologyPreprocessor::preprocess()']\n+    ['preprocess_670', ['preprocess', ['../classgmx_1_1NNPotTopologyPreprocessor.xhtml#ad1686d5726f7554a4043e1d29fc8fc51', 1, 'gmx::NNPotTopologyPreprocessor::preprocess()'],\n+        ['../classgmx_1_1QMMMTopologyPreprocessor.xhtml#a62a8eb1d8ab64aca76d9c1c6fbf53530', 1, 'gmx::QMMMTopologyPreprocessor::preprocess()']\n     ]],\n-    ['preprocessingatomtypes_671', ['preprocessingatomtypes', ['../classPreprocessingAtomTypes.xhtml#ab564e1e5edd0850f93716d5d8b56e7b9', 1, 'PreprocessingAtomTypes::PreprocessingAtomTypes()'],\n-        ['../classPreprocessingAtomTypes.xhtml', 1, 'PreprocessingAtomTypes']\n+    ['preprocessingatomtypes_671', ['preprocessingatomtypes', ['../classPreprocessingAtomTypes.xhtml', 1, 'PreprocessingAtomTypes'],\n+        ['../classPreprocessingAtomTypes.xhtml#ab564e1e5edd0850f93716d5d8b56e7b9', 1, 'PreprocessingAtomTypes::PreprocessingAtomTypes()']\n     ]],\n     ['preprocessingbondatomtype_672', ['PreprocessingBondAtomType', ['../classPreprocessingBondAtomType.xhtml', 1, '']]],\n     ['preprocessingnotifier_5f_673', ['preProcessingNotifier_', ['../structgmx_1_1MDModulesNotifiers.xhtml#a491f3247b6bc681d6b97dc9db91028a1', 1, 'gmx::MDModulesNotifiers']]],\n     ['preprocessor_20macros_674', ['Predefined SIMD preprocessor macros', ['../page_simd.xhtml#autotoc_md66', 1, '']]],\n     ['preprocessresidue_675', ['PreprocessResidue', ['../structPreprocessResidue.xhtml', 1, '']]],\n     ['pres_676', ['pres', ['../structgmx__repl__ex.xhtml#a4727f9623b6a6995110132c968cb2165', 1, 'gmx_repl_ex']]],\n     ['pres_5fprev_677', ['pres_prev', ['../classt__state.xhtml#affdc7fa00e6e77e6f80cb7e8457e777d', 1, 't_state']]],\n-    ['present_678', ['present', ['../classgmx_1_1test_1_1AnalysisDataTestInputPointSet.xhtml#ace934e632ac88246da704f878ee85b5c', 1, 'gmx::test::AnalysisDataTestInputPointSet::present()'],\n+    ['present_678', ['present', ['../classgmx_1_1AnalysisDataFrameRef.xhtml#a4e9e2e103711b6302c6e82121ec8eef3', 1, 'gmx::AnalysisDataFrameRef::present()'],\n         ['../classgmx_1_1AnalysisDataPointSetRef.xhtml#a69f1255e4e4115a9b183f7be0be7760c', 1, 'gmx::AnalysisDataPointSetRef::present()'],\n-        ['../classgmx_1_1AnalysisDataFrameRef.xhtml#a4e9e2e103711b6302c6e82121ec8eef3', 1, 'gmx::AnalysisDataFrameRef::present()']\n+        ['../classgmx_1_1test_1_1AnalysisDataTestInputPointSet.xhtml#ace934e632ac88246da704f878ee85b5c', 1, 'gmx::test::AnalysisDataTestInputPointSet::present()']\n     ]],\n     ['presentalldata_679', ['presentAllData', ['../classgmx_1_1test_1_1AnalysisDataTestFixture.xhtml#ab07eb7b9cb4b5e0fb8fc85c196223f06', 1, 'gmx::test::AnalysisDataTestFixture']]],\n     ['presentdata_680', ['presentData', ['../classgmx_1_1AnalysisDataModuleManager_1_1Impl.xhtml#a58d11e5cb995d8ee2a8b150b80e96015', 1, 'gmx::AnalysisDataModuleManager::Impl']]],\n     ['presentdataframe_681', ['presentDataFrame', ['../classgmx_1_1test_1_1AnalysisDataTestFixture.xhtml#a89e3f46a66165f59608fb91cdec5257c', 1, 'gmx::test::AnalysisDataTestFixture']]],\n     ['preserveboxshape_682', ['preserveBoxShape', ['../state_8h.xhtml#a0f2e4adc7362d30d4ecfab4f23f25de5', 1, 'state.cpp']]],\n-    ['pressure_683', ['pressure', ['../structDispersionCorrection_1_1Correction.xhtml#a92a3c13d5a3f1ca5d2b3598b5409def7', 1, 'DispersionCorrection::Correction::pressure'],\n-        ['../classgmx_1_1EnergyData.xhtml#a0bb52df1038789c62a164a849698f2b5', 1, 'gmx::EnergyData::pressure()']\n+    ['pressure_683', ['pressure', ['../classgmx_1_1EnergyData.xhtml#a0bb52df1038789c62a164a849698f2b5', 1, 'gmx::EnergyData::pressure()'],\n+        ['../structDispersionCorrection_1_1Correction.xhtml#a92a3c13d5a3f1ca5d2b3598b5409def7', 1, 'DispersionCorrection::Correction::pressure']\n     ]],\n     ['pressure_5f_684', ['pressure_', ['../classgmx_1_1test_1_1anonymous__namespace_02energyoutput_8cpp_03_1_1EnergyOutputTest.xhtml#a3e21f62fdd4229953fe526ba7c74a9f1', 1, 'gmx::test::anonymous_namespace{energyoutput.cpp}::EnergyOutputTest']]],\n     ['pressurecoupling_685', ['PressureCoupling', ['../md__enums_8h.xhtml#a75403865033b1e929fe40f0119cabfb3', 1, 'md_enums.h']]],\n     ['pressurecouplingoptionstostring_686', ['pressureCouplingOptionsToString', ['../namespacegmx_1_1test_1_1anonymous__namespace_02parrinellorahman_8cpp_03.xhtml#aa448f87e5bc69a5a5ee4cb09b855dec6', 1, 'gmx::test::anonymous_namespace{parrinellorahman.cpp}']]],\n     ['pressurecouplingscheme_687', ['pressureCouplingScheme', ['../structgmx_1_1test_1_1anonymous__namespace_02energyoutput_8cpp_03_1_1EnergyOutputTestParameters.xhtml#a5461cc0b111fbe5cf8fe059573a0601c', 1, 'gmx::test::anonymous_namespace{energyoutput.cpp}::EnergyOutputTestParameters']]],\n     ['pressurecouplingtype_688', ['PressureCouplingType', ['../md__enums_8h.xhtml#ab9101457c43f890d83e2f61b04c80b88', 1, 'md_enums.h']]],\n     ['pressurematrixtype_689', ['PressureMatrixType', ['../namespacegmx_1_1test_1_1anonymous__namespace_02parrinellorahman_8cpp_03.xhtml#a776ec8348aff2ffd8b62d32d6c54bbea', 1, 'gmx::test::anonymous_namespace{parrinellorahman.cpp}']]],\n-    ['pressuretoleranceforsystem_5fg_690', ['pressuretoleranceforsystem_g', ['../namespacegmx_1_1test_1_1anonymous__namespace_02simple__mdrun_8cpp_03.xhtml#a77688ce9e31c88375be56e73eb51a93e', 1, 'gmx::test::anonymous_namespace{simple_mdrun.cpp}::pressureToleranceForSystem_g'],\n-        ['../namespacegmx_1_1test_1_1anonymous__namespace_02pull_8cpp_03.xhtml#ad201e05951ee032ea6a136d25a92307e', 1, 'gmx::test::anonymous_namespace{pull.cpp}::pressureToleranceForSystem_g']\n+    ['pressuretoleranceforsystem_5fg_690', ['pressuretoleranceforsystem_g', ['../namespacegmx_1_1test_1_1anonymous__namespace_02pull_8cpp_03.xhtml#ad201e05951ee032ea6a136d25a92307e', 1, 'gmx::test::anonymous_namespace{pull.cpp}::pressureToleranceForSystem_g'],\n+        ['../namespacegmx_1_1test_1_1anonymous__namespace_02simple__mdrun_8cpp_03.xhtml#a77688ce9e31c88375be56e73eb51a93e', 1, 'gmx::test::anonymous_namespace{simple_mdrun.cpp}::pressureToleranceForSystem_g']\n     ]],\n     ['prev_691', ['prev', ['../structgmx__ana__poscalc__t.xhtml#add154e847d0a1cf20abc00871b9ce9f3', 1, 'gmx_ana_poscalc_t']]],\n     ['prev_5fpos_5fkw_692', ['prev_pos_kw', ['../structgmx__sel__lexer__t.xhtml#a2d1f374ebc06436e028d3e248c61de94', 1, 'gmx_sel_lexer_t']]],\n     ['previousblockindex_693', ['previousBlockIndex', ['../classgmx_1_1CorrelationBlockData.xhtml#a6df8388b897c0558a3bf787cbba19bad', 1, 'gmx::CorrelationBlockData']]],\n     ['previousbox_694', ['previousbox', ['../structPmeShared.xhtml#ab9b6225eeb3328d7aac146cbf5f2fd70', 1, 'PmeShared::previousBox'],\n         ['../classgmx_1_1StatePropagatorData.xhtml#a501f9b5921e1f474301d6aacb6c2cdc1', 1, 'gmx::StatePropagatorData::previousBox()']\n     ]],\n@@ -1192,44 +1192,44 @@\n     ['print_5fpme_5floadbal_5fsetting_718', ['print_pme_loadbal_setting', ['../pme__load__balancing_8cpp.xhtml#a34ad2116d0baa736e0d155ba956bf062', 1, 'pme_load_balancing.cpp']]],\n     ['print_5fpme_5floadbal_5fsettings_719', ['print_pme_loadbal_settings', ['../pme__load__balancing_8cpp.xhtml#a738403c89c46ba35701c160e156915fa', 1, 'pme_load_balancing.cpp']]],\n     ['print_5freplica_5fexchange_5fstatistics_720', ['print_replica_exchange_statistics', ['../replicaexchange_8h.xhtml#ac242f2189cc51aa6ffb4a1b5768eab7d', 1, 'replicaexchange.h']]],\n     ['print_5fresall_721', ['print_resall', ['../resall_8h.xhtml#afbd28b7c0e308005c53b31f428715e5e', 1, 'resall.cpp']]],\n     ['print_5fstart_722', ['print_start', ['../printtime_8h.xhtml#a6cf8ede86906fc405824ad5ba33578ff', 1, 'printtime.h']]],\n     ['print_5ftime_723', ['print_time', ['../printtime_8h.xhtml#a2b2cf213aae64f2f3992ac2fee167bb7', 1, 'printtime.h']]],\n     ['printbinaryinformation_724', ['printbinaryinformation', ['../classgmx_1_1BinaryInformationSettings.xhtml#ae1ca1f3759dfd30915c86eb6461c35f8', 1, 'gmx::BinaryInformationSettings::printBinaryInformation'],\n-        ['../namespacegmx.xhtml#a0ea11527285a0547aafa0ee27c4f4817', 1, 'gmx::printBinaryInformation(TextWriter *writer, const IProgramContext &amp;programContext, const BinaryInformationSettings &amp;settings)'],\n+        ['../namespacegmx.xhtml#aff67fcd64bdaa64a3823cc1a322a6783', 1, 'gmx::printBinaryInformation(FILE *fp, const IProgramContext &amp;programContext)'],\n         ['../namespacegmx.xhtml#ad0c6bc3dc4ee812f31a6076c7d4f42a9', 1, 'gmx::printBinaryInformation(FILE *fp, const IProgramContext &amp;programContext, const BinaryInformationSettings &amp;settings)'],\n-        ['../namespacegmx.xhtml#aff67fcd64bdaa64a3823cc1a322a6783', 1, 'gmx::printBinaryInformation(FILE *fp, const IProgramContext &amp;programContext)']\n+        ['../namespacegmx.xhtml#a0ea11527285a0547aafa0ee27c4f4817', 1, 'gmx::printBinaryInformation(TextWriter *writer, const IProgramContext &amp;programContext, const BinaryInformationSettings &amp;settings)']\n     ]],\n     ['printcurrentstatus_725', ['printCurrentStatus', ['../namespacegmx_1_1anonymous__namespace_02selectioncollection_8cpp_03.xhtml#ab287e09e32b67a7d8eb6c426cbea825e', 1, 'gmx::anonymous_namespace{selectioncollection.cpp}']]],\n     ['printcycles_726', ['printCycles', ['../structgmx_1_1SearchCycleCounting.xhtml#a4d10d3b49fe8ab3b697ca98128aadc76', 1, 'gmx::SearchCycleCounting']]],\n     ['printdebuginfo_727', ['printDebugInfo', ['../classgmx_1_1Selection.xhtml#a83cdc66c0202739e8e7dd1c1add3492b', 1, 'gmx::Selection']]],\n     ['printfatalerrorfooter_728', ['printFatalErrorFooter', ['../group__module__utility.xhtml#gadcb892c734184fade6b913a4d3a66aa7', 1, 'gmx::internal']]],\n     ['printfatalerrorheader_729', ['printFatalErrorHeader', ['../group__module__utility.xhtml#ga34257490d770efb0f6a87adeef2629c6', 1, 'gmx::internal']]],\n     ['printfatalerrormessage_730', ['printFatalErrorMessage', ['../group__module__utility.xhtml#gac6287dc8a550a2d54429e44994e00e58', 1, 'gmx']]],\n     ['printfatalerrormessageline_731', ['printFatalErrorMessageLine', ['../group__module__utility.xhtml#ga0a42e4f258d42ec3a31c6a633de8d5da', 1, 'gmx::internal']]],\n     ['printhdf5errorsdebug_732', ['printHdf5ErrorsDebug', ['../namespacegmx.xhtml#ab817247c14460e07ba037d9bf1ee026f', 1, 'gmx']]],\n-    ['printhelp_733', ['printhelp', ['../namespacegmx_1_1anonymous__namespace_02selectioncollection_8cpp_03.xhtml#abe93236807caafdef3d12bf607712457', 1, 'gmx::anonymous_namespace{selectioncollection.cpp}::printHelp()'],\n-        ['../namespacegmx_1_1test_1_1anonymous__namespace_02testinit_8cpp_03.xhtml#ad26aa404f4b172bbb70761f5601e1e6b', 1, 'gmx::test::anonymous_namespace{testinit.cpp}::printHelp()']\n+    ['printhelp_733', ['printhelp', ['../namespacegmx_1_1test_1_1anonymous__namespace_02testinit_8cpp_03.xhtml#ad26aa404f4b172bbb70761f5601e1e6b', 1, 'gmx::test::anonymous_namespace{testinit.cpp}::printHelp()'],\n+        ['../namespacegmx_1_1anonymous__namespace_02selectioncollection_8cpp_03.xhtml#abe93236807caafdef3d12bf607712457', 1, 'gmx::anonymous_namespace{selectioncollection.cpp}::printHelp()']\n     ]],\n     ['printinfo_734', ['printInfo', ['../classgmx_1_1Selection.xhtml#a65669ac067cf817dd81dd54545cbad1e', 1, 'gmx::Selection']]],\n     ['printinitializationtolog_735', ['printInitializationToLog', ['../classgmx_1_1Bias.xhtml#ab98de3aa653a1e218fb158592b357333', 1, 'gmx::Bias']]],\n     ['printlambdastatetolog_736', ['printLambdaStateToLog', ['../state_8h.xhtml#a7c02def220ba38fd0b4d43394b46a1f6', 1, 'state.cpp']]],\n     ['printmissinginteractionsatoms_737', ['printMissingInteractionsAtoms', ['../namespacegmx.xhtml#ae65e5b55ff548e7bfe1a7c87e3dbe492', 1, 'gmx']]],\n     ['printmissinginteractionsmolblock_738', ['printMissingInteractionsMolblock', ['../namespacegmx.xhtml#ae745a97b913d8883598f292573c042c2', 1, 'gmx']]],\n     ['printnbnxmpressureerror_739', ['printNbnxmPressureError', ['../namespacegmx.xhtml#a70e7a975019d7f9f2b250dd86107949a', 1, 'gmx']]],\n     ['printreplicaexchangeparameterstostring_740', ['PrintReplicaExchangeParametersToString', ['../structgmx_1_1test_1_1PrintReplicaExchangeParametersToString.xhtml', 1, 'gmx::test']]],\n     ['printstringtablestoragetofile_741', ['printStringTableStorageToFile', ['../classStringTable.xhtml#a43471fd15acff612e6fbf75df17328f3', 1, 'StringTable']]],\n     ['printthanks_742', ['printThanks', ['../classgmx_1_1CommandLineModuleManager_1_1Impl.xhtml#a05cae832d1e990febdd2035ed4dae99c', 1, 'gmx::CommandLineModuleManager::Impl']]],\n     ['printtime_2eh_743', ['printtime.h', ['../printtime_8h.xhtml', 1, '']]],\n-    ['printto_744', ['printto', ['../namespacegmx.xhtml#a8cc01a6cbd2e745e2859c1c597de99f0', 1, 'gmx::PrintTo(const PaddedVector&lt; RVec &gt; &amp;vector, std::ostream *os)'],\n+    ['printto_744', ['printto', ['../namespacegmx_1_1test_1_1anonymous__namespace_02constr_8cpp_03.xhtml#a146ac5d0721d0bbff854d6b43bd3c594', 1, 'gmx::test::anonymous_namespace{constr.cpp}::PrintTo()'],\n+        ['../tests_2constr_8cpp.xhtml#ad8707751bcf9b7561997be4d4509f919', 1, 'PrintTo():&#160;constr.cpp'],\n+        ['../namespacegmx.xhtml#a8cc01a6cbd2e745e2859c1c597de99f0', 1, 'gmx::PrintTo(const PaddedVector&lt; RVec &gt; &amp;vector, std::ostream *os)'],\n         ['../namespacegmx.xhtml#a48139736d8f5906f2262d2219909e972', 1, 'gmx::PrintTo(const RVec &amp;value, std::ostream *os)'],\n-        ['../tests_2confio_8cpp.xhtml#ae9ec9498ed69d6298c4cec343dbf6eea', 1, 'PrintTo():&#160;confio.cpp'],\n-        ['../namespacegmx_1_1test_1_1anonymous__namespace_02constr_8cpp_03.xhtml#a146ac5d0721d0bbff854d6b43bd3c594', 1, 'gmx::test::anonymous_namespace{constr.cpp}::PrintTo()'],\n-        ['../tests_2constr_8cpp.xhtml#ad8707751bcf9b7561997be4d4509f919', 1, 'PrintTo():&#160;constr.cpp']\n+        ['../tests_2confio_8cpp.xhtml#ae9ec9498ed69d6298c4cec343dbf6eea', 1, 'PrintTo():&#160;confio.cpp']\n     ]],\n     ['printtree_745', ['printtree', ['../classgmx_1_1SelectionCollection.xhtml#af818d2c18b1f062f98535ea2310cf9d6', 1, 'gmx::SelectionCollection::printTree()'],\n         ['../classgmx_1_1PositionCalculationCollection.xhtml#ab4cb9e76c9189929571b6120c02fdb15', 1, 'gmx::PositionCalculationCollection::printTree()']\n     ]],\n     ['printxvgrinfo_746', ['printXvgrInfo', ['../classgmx_1_1SelectionCollection.xhtml#a258632c31196a32960eac628c9ccd7f9', 1, 'gmx::SelectionCollection']]],\n     ['prob_747', ['prob', ['../structgmx__repl__ex.xhtml#a3f7ac1e9d6c7f8aa5c82ae73d8e82435', 1, 'gmx_repl_ex']]],\n     ['prob_5fsum_748', ['prob_sum', ['../structgmx__repl__ex.xhtml#afe91de4fe29e4757a00af03b1d4da003', 1, 'gmx_repl_ex']]],\n@@ -1245,86 +1245,86 @@\n         ['../classgmx_1_1QMMMOptions.xhtml#a6b4615a64c4e8b468cf26b5862e47ca2', 1, 'gmx::QMMMOptions::processCoordinates()']\n     ]],\n     ['processedrfilename_756', ['processEdrFilename', ['../classgmx_1_1ColvarsOptions.xhtml#a1fb943de3010cf577bc68ff8f88f88f5', 1, 'gmx::ColvarsOptions']]],\n     ['processexceptionasfatalerror_757', ['processExceptionAsFatalError', ['../group__module__utility.xhtml#ga13076c5bb17dd3bf90f683af835b8b62', 1, 'gmx']]],\n     ['processexceptionatexit_758', ['processExceptionAtExit', ['../group__module__utility.xhtml#ga5a45f49e157fa8e1059d24243283e248', 1, 'gmx']]],\n     ['processexceptionatexitforcommandline_759', ['processExceptionAtExitForCommandLine', ['../namespacegmx.xhtml#ad8fe34835a6e197f2731e7d604f28992', 1, 'gmx']]],\n     ['processexpectedexception_760', ['processExpectedException', ['../testasserts_8h.xhtml#a70e5df8e89a760f1a7b0b729ae79d9e9', 1, 'gmx::test::internal']]],\n-    ['processframe_761', ['processframe', ['../classgmx_1_1SetTimeStep.xhtml#a94ffdac361572d0d678595faa5ca34f7', 1, 'gmx::SetTimeStep::processFrame()'],\n-        ['../classgmx_1_1IOutputAdapter.xhtml#a0600c39ab0392347654f7e4984fe55b0', 1, 'gmx::IOutputAdapter::processFrame()'],\n-        ['../classgmx_1_1OutputSelector.xhtml#a18b9cfa903a2140d038b85e44f0d728b', 1, 'gmx::OutputSelector::processFrame()'],\n-        ['../classgmx_1_1SetAtoms.xhtml#aa2ca3ec1cd6987c1af76bf3eaed208d1', 1, 'gmx::SetAtoms::processFrame()'],\n-        ['../classgmx_1_1SetBox.xhtml#ad4fb823cdc838cbe1253f1b720659552', 1, 'gmx::SetBox::processFrame()'],\n+    ['processframe_761', ['processframe', ['../classgmx_1_1SetBox.xhtml#ad4fb823cdc838cbe1253f1b720659552', 1, 'gmx::SetBox::processFrame()'],\n         ['../classgmx_1_1SetForces.xhtml#ab6b102111de37f9de56baa55b54e9d4c', 1, 'gmx::SetForces::processFrame()'],\n         ['../classgmx_1_1SetPrecision.xhtml#aa0c17362c51113f315d3985a1b87db43', 1, 'gmx::SetPrecision::processFrame()'],\n         ['../classgmx_1_1SetStartTime.xhtml#a1a0e96a360061ca80d4c1021b428d18f', 1, 'gmx::SetStartTime::processFrame()'],\n-        ['../classgmx_1_1SetVelocities.xhtml#a8e040a226a533cf085ecf264f4bcbb39', 1, 'gmx::SetVelocities::processFrame()']\n+        ['../classgmx_1_1SetTimeStep.xhtml#a94ffdac361572d0d678595faa5ca34f7', 1, 'gmx::SetTimeStep::processFrame()'],\n+        ['../classgmx_1_1SetVelocities.xhtml#a8e040a226a533cf085ecf264f4bcbb39', 1, 'gmx::SetVelocities::processFrame()'],\n+        ['../classgmx_1_1SetAtoms.xhtml#aa2ca3ec1cd6987c1af76bf3eaed208d1', 1, 'gmx::SetAtoms::processFrame()'],\n+        ['../classgmx_1_1OutputSelector.xhtml#a18b9cfa903a2140d038b85e44f0d728b', 1, 'gmx::OutputSelector::processFrame()'],\n+        ['../classgmx_1_1IOutputAdapter.xhtml#a0600c39ab0392347654f7e4984fe55b0', 1, 'gmx::IOutputAdapter::processFrame()']\n     ]],\n     ['processframeconversion_762', ['processframeconversion', ['../classgmx_1_1ProcessFrameConversion.xhtml', 1, 'gmx::ProcessFrameConversion'],\n         ['../classgmx_1_1ProcessFrameConversion.xhtml#ac312a6f913f3b4c10b1b4506dc3992b4', 1, 'gmx::ProcessFrameConversion::ProcessFrameConversion()']\n     ]],\n     ['processframeconversionpointer_763', ['ProcessFrameConversionPointer', ['../namespacegmx.xhtml#a738d561c427ed33793a987d6624c16fd', 1, 'gmx']]],\n     ['processid_764', ['processId', ['../classgmx_1_1BinaryInformationSettings.xhtml#abaf2e86d7516dee9612672fbb5c8c661', 1, 'gmx::BinaryInformationSettings']]],\n     ['processing_20modules_765', ['Provided data processing modules', ['../page_analysisdata.xhtml#autotoc_md77', 1, '']]],\n     ['processingunit_766', ['ProcessingUnit', ['../structgmx_1_1HardwareTopology_1_1ProcessingUnit.xhtml', 1, 'gmx::HardwareTopology']]],\n     ['processingunitrankincore_767', ['processingUnitRankInCore', ['../structgmx_1_1HardwareTopology_1_1LogicalProcessor.xhtml#ace41f39d285eb357ca9cc2f6ee2a2790', 1, 'gmx::HardwareTopology::LogicalProcessor']]],\n-    ['processingunits_768', ['processingunits', ['../structgmx_1_1HardwareTopology_1_1Core.xhtml#a8fdfecad6961986891247c462ab06979', 1, 'gmx::HardwareTopology::Core::processingUnits'],\n-        ['../structgmx_1_1HardwareTopology_1_1NumaNode.xhtml#ac3ab03fb1b97974ef2f25205ab251e1c', 1, 'gmx::HardwareTopology::NumaNode::processingUnits']\n+    ['processingunits_768', ['processingunits', ['../structgmx_1_1HardwareTopology_1_1NumaNode.xhtml#ac3ab03fb1b97974ef2f25205ab251e1c', 1, 'gmx::HardwareTopology::NumaNode::processingUnits'],\n+        ['../structgmx_1_1HardwareTopology_1_1Core.xhtml#a8fdfecad6961986891247c462ab06979', 1, 'gmx::HardwareTopology::Core::processingUnits']\n     ]],\n     ['processitem_769', ['processItem', ['../classgmx_1_1test_1_1TestReferenceChecker_1_1Impl.xhtml#a0cd19d6065ab5fa0135ebd18906cc439', 1, 'gmx::test::TestReferenceChecker::Impl']]],\n     ['processmarkup_770', ['processMarkup', ['../classgmx_1_1HelpWriterContext_1_1Impl.xhtml#ae2eb5a09712371d73e78682759335be3', 1, 'gmx::HelpWriterContext::Impl']]],\n     ['processormap_771', ['ProcessorMap', ['../namespacegmx_1_1test_1_1anonymous__namespace_02mockhardwaretopology_8cpp_03.xhtml#a76ede19691b8c64e8dd671292c2e940b', 1, 'gmx::test::anonymous_namespace{mockhardwaretopology.cpp}']]],\n-    ['processset_772', ['processset', ['../classgmx_1_1AbstractOptionStorage.xhtml#a9aa8495e558f50edd35b80754a508052', 1, 'gmx::AbstractOptionStorage::processSet()'],\n-        ['../classgmx_1_1OptionStorageTemplate.xhtml#a777a009a9f2cd3963a9bd774fadfdad2', 1, 'gmx::OptionStorageTemplate::processSet() override']\n+    ['processset_772', ['processset', ['../classgmx_1_1OptionStorageTemplate.xhtml#a777a009a9f2cd3963a9bd774fadfdad2', 1, 'gmx::OptionStorageTemplate::processSet()'],\n+        ['../classgmx_1_1AbstractOptionStorage.xhtml#a9aa8495e558f50edd35b80754a508052', 1, 'gmx::AbstractOptionStorage::processSet()']\n     ]],\n     ['processsetvalues_773', ['processSetValues', ['../classgmx_1_1OptionStorageTemplate.xhtml#ac2087a4d9de673881807396fe394319c', 1, 'gmx::OptionStorageTemplate']]],\n     ['processtemperature_774', ['processTemperature', ['../classgmx_1_1ColvarsOptions.xhtml#a293c9daa9381534b897ed0a0e2c807cd', 1, 'gmx::ColvarsOptions']]],\n     ['processtopology_775', ['processTopology', ['../classgmx_1_1ColvarsOptions.xhtml#af8368195ed33a203effbe19f32d7ced3', 1, 'gmx::ColvarsOptions']]],\n     ['processtprfilename_776', ['processTprFilename', ['../classgmx_1_1QMMMOptions.xhtml#a5c846f75b4fa34240c3be20473ebb653', 1, 'gmx::QMMMOptions']]],\n     ['processvalue_777', ['processValue', ['../classgmx_1_1OptionStorageTemplateSimple.xhtml#a816a646cd0e1b9160ad0d49cb7927096', 1, 'gmx::OptionStorageTemplateSimple']]],\n     ['prof_5fnormalization_5fand_5funit_778', ['prof_normalization_and_unit', ['../gmx__wham_8cpp.xhtml#a353807786a39c0095c354018e954af1d', 1, 'gmx_wham.cpp']]],\n-    ['profiling_779', ['profiling', ['../classgmx_1_1Profiling.xhtml#a825ce2f3fd77ed8a6ad01ad13277e094', 1, 'gmx::Profiling::Profiling()'],\n-        ['../classgmx_1_1Profiling.xhtml', 1, 'gmx::Profiling']\n+    ['profiling_779', ['profiling', ['../classgmx_1_1Profiling.xhtml', 1, 'gmx::Profiling'],\n+        ['../classgmx_1_1Profiling.xhtml#a825ce2f3fd77ed8a6ad01ad13277e094', 1, 'gmx::Profiling::Profiling()']\n     ]],\n     ['program_780', ['program', ['../structgmx__device__runtime__data__t.xhtml#a131c6f5f31ef679933d8530db2aec912', 1, 'gmx_device_runtime_data_t']]],\n     ['program_20management_20commandline_781', ['Command Line Program Management (commandline)', ['../group__module__commandline.xhtml', 1, '']]],\n     ['programcontext_2ecpp_782', ['programcontext.cpp', ['../programcontext_8cpp.xhtml', 1, '']]],\n     ['programcontext_2eh_783', ['programcontext.h', ['../programcontext_8h.xhtml', 1, '']]],\n     ['programcontext_5f_784', ['programContext_', ['../classgmx_1_1CommandLineModuleManager_1_1Impl.xhtml#aec22308f1e2209f756a894dd672f0123', 1, 'gmx::CommandLineModuleManager::Impl']]],\n     ['programhandle_5f_785', ['programHandle_', ['../structPmeGpu.xhtml#a6b8587b3b55775d271f0a05b2377ea0d', 1, 'PmeGpu']]],\n-    ['programname_786', ['programname', ['../classgmx_1_1test_1_1anonymous__namespace_02testinit_8cpp_03_1_1TestProgramContext.xhtml#a7d7ab243fabe9ee53b7a261b6508c0c6', 1, 'gmx::test::anonymous_namespace{testinit.cpp}::TestProgramContext::programName()'],\n-        ['../classgmx_1_1IProgramContext.xhtml#af7114ce30502138b830c6ab1ebe7218a', 1, 'gmx::IProgramContext::programName()'],\n+    ['programname_786', ['programname', ['../classgmx_1_1IProgramContext.xhtml#af7114ce30502138b830c6ab1ebe7218a', 1, 'gmx::IProgramContext::programName()'],\n+        ['../group__module__commandline.xhtml#ga549c09e2b1c2d40c2b1645654ac6d98e', 1, 'gmx::CommandLineProgramContext::programName()'],\n         ['../classgmx_1_1anonymous__namespace_02programcontext_8cpp_03_1_1DefaultProgramContext.xhtml#abef54ace7516fc4bf108cd185be5f13d', 1, 'gmx::anonymous_namespace{programcontext.cpp}::DefaultProgramContext::programName()'],\n-        ['../group__module__commandline.xhtml#ga549c09e2b1c2d40c2b1645654ac6d98e', 1, 'gmx::CommandLineProgramContext::programName()']\n+        ['../classgmx_1_1test_1_1anonymous__namespace_02testinit_8cpp_03_1_1TestProgramContext.xhtml#a7d7ab243fabe9ee53b7a261b6508c0c6', 1, 'gmx::test::anonymous_namespace{testinit.cpp}::TestProgramContext::programName()']\n     ]],\n     ['project_5fto_5feigvectors_787', ['project_to_eigvectors', ['../namespaceanonymous__namespace_02edsam_8cpp_03.xhtml#afe413df193477fd5579ba5dc476af94a', 1, 'anonymous_namespace{edsam.cpp}']]],\n     ['projectx_788', ['projectx', ['../namespaceanonymous__namespace_02edsam_8cpp_03.xhtml#a51dbf031e475b6a7db752e30fd49d772', 1, 'anonymous_namespace{edsam.cpp}']]],\n     ['promptline_789', ['promptLine', ['../namespacegmx_1_1anonymous__namespace_02selectioncollection_8cpp_03.xhtml#a4725dbb58fb88906d3e3f60fabad6903', 1, 'gmx::anonymous_namespace{selectioncollection.cpp}']]],\n     ['prop_790', ['prop', ['../classAtomProperties_1_1Impl.xhtml#ae053674382c8aba1e9672a462aa46a34', 1, 'AtomProperties::Impl::prop'],\n         ['../classAtomProperties.xhtml#a989a1bbdaf2caddb0696947bfa9419a7', 1, 'AtomProperties::prop()']\n     ]],\n     ['propagate_5fon_5fcontainer_5fcopy_5fassignment_791', ['propagate_on_container_copy_assignment', ['../classgmx_1_1HostAllocationPolicy.xhtml#af118f1bf88de184a1b6a3655df879591', 1, 'gmx::HostAllocationPolicy']]],\n     ['propagate_5fon_5fcontainer_5fmove_5fassignment_792', ['propagate_on_container_move_assignment', ['../classgmx_1_1HostAllocationPolicy.xhtml#ad784820686c118595c511a1c323ada53', 1, 'gmx::HostAllocationPolicy']]],\n     ['propagate_5fon_5fcontainer_5fswap_793', ['propagate_on_container_swap', ['../classgmx_1_1HostAllocationPolicy.xhtml#afd1941ab26a2198c5395d662cbe56e9e', 1, 'gmx::HostAllocationPolicy']]],\n     ['propagationparameters_794', ['PropagationParameters', ['../namespacegmx_1_1test.xhtml#a774ca3fa5df95b1187890bf92a0e0cd8', 1, 'gmx::test']]],\n     ['propagationparameterswithconstraints_795', ['propagationParametersWithConstraints', ['../namespacegmx_1_1test.xhtml#a6193e70ad283d80177391e3d3bf79522', 1, 'gmx::test']]],\n     ['propagationparameterswithcoupling_796', ['propagationParametersWithCoupling', ['../namespacegmx_1_1test.xhtml#ae287683c1974989b18151e1147f2b39d', 1, 'gmx::test']]],\n-    ['propagator_797', ['propagator', ['../classgmx_1_1Propagator.xhtml', 1, 'gmx::Propagator&lt; integrationStage &gt;'],\n-        ['../classgmx_1_1Propagator.xhtml#a0be3f787956d64b6f1db5686085d3791', 1, 'gmx::Propagator::Propagator()']\n+    ['propagator_797', ['propagator', ['../classgmx_1_1Propagator.xhtml#a0be3f787956d64b6f1db5686085d3791', 1, 'gmx::Propagator::Propagator()'],\n+        ['../classgmx_1_1Propagator.xhtml', 1, 'gmx::Propagator&lt; integrationStage &gt;']\n     ]],\n     ['propagator_20tt_798', ['&lt;tt&gt;Propagator&lt;/tt&gt;', ['../page_modularsimulator.xhtml#autotoc_md27', 1, '']]],\n     ['propagator_2ecpp_799', ['propagator.cpp', ['../propagator_8cpp.xhtml', 1, '']]],\n     ['propagator_2eh_800', ['propagator.h', ['../propagator_8h.xhtml', 1, '']]],\n-    ['propagatorcallback_801', ['propagatorcallback', ['../group__module__modularsimulator.xhtml#ga3396e7f07a04e8c8d3ce40cbfa022c4c', 1, 'gmx::PropagatorCallback'],\n-        ['../classgmx_1_1MttkPropagatorConnection.xhtml#a667942f1bbef424b2716da739030ad2e', 1, 'gmx::MttkPropagatorConnection::propagatorCallback()'],\n-        ['../classgmx_1_1MttkData.xhtml#abe7883668ad32a364fb2289b060a1468', 1, 'gmx::MttkData::propagatorCallback()']\n+    ['propagatorcallback_801', ['propagatorcallback', ['../classgmx_1_1MttkData.xhtml#abe7883668ad32a364fb2289b060a1468', 1, 'gmx::MttkData::propagatorCallback()'],\n+        ['../group__module__modularsimulator.xhtml#ga3396e7f07a04e8c8d3ce40cbfa022c4c', 1, 'gmx::PropagatorCallback'],\n+        ['../classgmx_1_1MttkPropagatorConnection.xhtml#a667942f1bbef424b2716da739030ad2e', 1, 'gmx::MttkPropagatorConnection::propagatorCallback()']\n     ]],\n     ['propagatorconnection_802', ['PropagatorConnection', ['../structgmx_1_1PropagatorConnection.xhtml', 1, 'gmx']]],\n-    ['propagatortag_803', ['propagatortag', ['../group__module__modularsimulator.xhtml#gae5429b9c01d5a4d3e399efca641aa2c9', 1, 'gmx::PropagatorTag::PropagatorTag()'],\n-        ['../structgmx_1_1PropagatorTag.xhtml', 1, 'gmx::PropagatorTag']\n+    ['propagatortag_803', ['propagatortag', ['../structgmx_1_1PropagatorTag.xhtml', 1, 'gmx::PropagatorTag'],\n+        ['../group__module__modularsimulator.xhtml#gae5429b9c01d5a4d3e399efca641aa2c9', 1, 'gmx::PropagatorTag::PropagatorTag()']\n     ]],\n     ['propagatortagpostposition_804', ['propagatorTagPostPosition', ['../structgmx_1_1MttkPropagatorConnectionDetails.xhtml#a30ea53994cc965ef3a04dffab77a99b5', 1, 'gmx::MttkPropagatorConnectionDetails']]],\n     ['propagatortagpostvelocity1_805', ['propagatorTagPostVelocity1', ['../structgmx_1_1MttkPropagatorConnectionDetails.xhtml#a981d56dbc523b1795209f5c619586297', 1, 'gmx::MttkPropagatorConnectionDetails']]],\n     ['propagatortagpostvelocity2_806', ['propagatorTagPostVelocity2', ['../structgmx_1_1MttkPropagatorConnectionDetails.xhtml#a6f8609f99bd107cc9ab714cb047ae4f4', 1, 'gmx::MttkPropagatorConnectionDetails']]],\n     ['propagatortagpreposition_807', ['propagatorTagPrePosition', ['../structgmx_1_1MttkPropagatorConnectionDetails.xhtml#abf134ac0c4044650e3b99ba80c74429c', 1, 'gmx::MttkPropagatorConnectionDetails']]],\n     ['propagatortagprevelocity1_808', ['propagatorTagPreVelocity1', ['../structgmx_1_1MttkPropagatorConnectionDetails.xhtml#a3d2c946479953c988662e266b1071bad', 1, 'gmx::MttkPropagatorConnectionDetails']]],\n     ['propagatortagprevelocity2_809', ['propagatorTagPreVelocity2', ['../structgmx_1_1MttkPropagatorConnectionDetails.xhtml#ac19cf6ae457a123ff1a0b1292360bdab', 1, 'gmx::MttkPropagatorConnectionDetails']]],\n@@ -1335,25 +1335,25 @@\n     ['prscalingcallback_814', ['prScalingCallback', ['../classgmx_1_1Propagator.xhtml#a8290753edff543fc7792f05aa682fef2', 1, 'gmx::Propagator']]],\n     ['prune_5fk_815', ['prune_k', ['../structgmx_1_1GpuTimers_1_1Interaction.xhtml#ad9729d2b798b91ed18b8502a8fba119b', 1, 'gmx::GpuTimers::Interaction']]],\n     ['prunetime_816', ['pruneTime', ['../structgmx__wallclock__gpu__nbnxn__t.xhtml#af892e5f3a38c3ea077d7c2fc9f3875aa', 1, 'gmx_wallclock_gpu_nbnxn_t']]],\n     ['pselstr_817', ['pselstr', ['../structgmx__sel__lexer__t.xhtml#a9903897e32d34014698a94545ccb7c6b', 1, 'gmx_sel_lexer_t']]],\n     ['psi_818', ['psi', ['../structt__bb.xhtml#a147862a6ed22146e070c8237288331e2', 1, 't_bb']]],\n     ['pswitch_819', ['PSwitch', ['../namespacegmx.xhtml#af59447472dd31d8f7c7c14843837b6d6ad4d20db2a8cc5234ee00e37cdf487c5b', 1, 'gmx']]],\n     ['ptcouplingarrays_820', ['PTCouplingArrays', ['../structgmx_1_1PTCouplingArrays.xhtml', 1, 'gmx']]],\n-    ['ptr_821', ['ptr', ['../structgmx__sel__mempool__block__t.xhtml#add25c5d49d8ff2d9655b80cdbb9ffb84', 1, 'gmx_sel_mempool_block_t::ptr'],\n-        ['../structgmx__ana__selvalue__t.xhtml#a12b279f9954e6c83e9e9957fcde06e81', 1, 'gmx_ana_selvalue_t::ptr'],\n+    ['ptr_821', ['ptr', ['../structgmx_1_1BoundingBox_1_1Corner.xhtml#af2cf7f1354c9bc399677ea2e609d4f7f', 1, 'gmx::BoundingBox::Corner::ptr()'],\n         ['../structgmx_1_1BoundingBox_1_1Corner.xhtml#af542b6ae650440a71020651e1c7ac4ef', 1, 'gmx::BoundingBox::Corner::ptr() const'],\n-        ['../structgmx_1_1BoundingBox_1_1Corner.xhtml#af2cf7f1354c9bc399677ea2e609d4f7f', 1, 'gmx::BoundingBox::Corner::ptr()']\n+        ['../structgmx__ana__selvalue__t.xhtml#a12b279f9954e6c83e9e9957fcde06e81', 1, 'gmx_ana_selvalue_t::ptr'],\n+        ['../structgmx__sel__mempool__block__t.xhtml#add25c5d49d8ff2d9655b80cdbb9ffb84', 1, 'gmx_sel_mempool_block_t::ptr']\n     ]],\n     ['ptype_822', ['ptype', ['../classSimulationParticle.xhtml#adfbadc49e08a3567f287bf57779863c0', 1, 'SimulationParticle']]],\n     ['public_20api_823', ['Public API', ['../group__group__publicapi.xhtml', 1, '']]],\n     ['puid_824', ['puId', ['../structgmx_1_1HardwareTopology_1_1LogicalProcessor.xhtml#a61aefff6555da4373cb8b84122e196d4', 1, 'gmx::HardwareTopology::LogicalProcessor']]],\n     ['puidincore_825', ['puIdInCore', ['../structgmx_1_1CpuInfo_1_1LogicalProcessor.xhtml#ac3478cc96129471d97e408f93aad07d9', 1, 'gmx::CpuInfo::LogicalProcessor']]],\n-    ['pull_826', ['pull', ['../namespacegmx.xhtml#ad4174b02d2bfb10e8538d4844ecc6f81a718f59718640c6506b3721fbc8bf3a4d', 1, 'gmx::Pull'],\n-        ['../structgmx_1_1ImdOptions.xhtml#a23ce7753d3bfbdc5d7570f09e45371fd', 1, 'gmx::ImdOptions::pull']\n+    ['pull_826', ['pull', ['../structgmx_1_1ImdOptions.xhtml#a23ce7753d3bfbdc5d7570f09e45371fd', 1, 'gmx::ImdOptions::pull'],\n+        ['../namespacegmx.xhtml#ad4174b02d2bfb10e8538d4844ecc6f81a718f59718640c6506b3721fbc8bf3a4d', 1, 'gmx::Pull']\n     ]],\n     ['pull_2ecpp_827', ['pull.cpp', ['../gromacs_2pulling_2tests_2pull_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../programs_2mdrun_2tests_2pull_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['pull_2eh_828', ['pull.h', ['../pull_8h.xhtml', 1, '']]],\n     ['pull_5fapply_5fforces_829', ['pull_apply_forces', ['../pull_8h.xhtml#a30e2e9144fd25485f1fb82a056fe4a1d', 1, 'pull.cpp']]],\n     ['pull_5fcalc_5fcoms_830', ['pull_calc_coms', ['../pull_8h.xhtml#aef1eab47f2cd04327609d835c6b90387', 1, 'pull.h']]],\n@@ -1361,16 +1361,16 @@\n     ['pull_5fconstraint_832', ['pull_constraint', ['../pull_8h.xhtml#a35cb315618e4d4ccaf25b54737681afb', 1, 'pull.h']]],\n     ['pull_5fconversion_5ffactor_5finternal2userinput_833', ['pull_conversion_factor_internal2userinput', ['../pull_8h.xhtml#aee0faab178e24c4b71e7b90a6765cbdf', 1, 'pull.cpp']]],\n     ['pull_5fconversion_5ffactor_5fuserinput2internal_834', ['pull_conversion_factor_userinput2internal', ['../pull_8h.xhtml#abbcce19ba40736561060cfe98198e6ab', 1, 'pull.cpp']]],\n     ['pull_5fcoord_5fwork_5ft_835', ['pull_coord_work_t', ['../structpull__coord__work__t.xhtml#ad17022eb80139d753a6ad23b839320b1', 1, 'pull_coord_work_t::pull_coord_work_t()'],\n         ['../structpull__coord__work__t.xhtml', 1, 'pull_coord_work_t']\n     ]],\n     ['pull_5fcoordinate_5funits_836', ['pull_coordinate_units', ['../pull_8h.xhtml#a07b69ebef9690b06dd028041c31cf533', 1, 'pull.cpp']]],\n-    ['pull_5fgroup_5fwork_5ft_837', ['pull_group_work_t', ['../structpull__group__work__t.xhtml#a5691fbeae1e947dad0ed28bd352cbf74', 1, 'pull_group_work_t::pull_group_work_t()'],\n-        ['../structpull__group__work__t.xhtml', 1, 'pull_group_work_t']\n+    ['pull_5fgroup_5fwork_5ft_837', ['pull_group_work_t', ['../structpull__group__work__t.xhtml', 1, 'pull_group_work_t'],\n+        ['../structpull__group__work__t.xhtml#a5691fbeae1e947dad0ed28bd352cbf74', 1, 'pull_group_work_t::pull_group_work_t()']\n     ]],\n     ['pull_5fhave_5fconstraint_838', ['pull_have_constraint', ['../pull_8h.xhtml#a566ce120c039a41fd0bb770a8c3c6724', 1, 'pull_have_constraint(const pull_t &amp;pull):&#160;pull.cpp'],\n         ['../pull_8h.xhtml#a6aa45e79faa7a773a9d33ec602edb4f6', 1, 'pull_have_constraint(const pull_params_t &amp;pullParameters):&#160;pull.cpp']\n     ]],\n     ['pull_5fhave_5fpotential_839', ['pull_have_potential', ['../pull_8h.xhtml#ae6af89f849fd30d51ca83d0a083f55c7', 1, 'pull.cpp']]],\n     ['pull_5finternal_2eh_840', ['pull_internal.h', ['../pull__internal_8h.xhtml', 1, '']]],\n     ['pull_5fparams_2eh_841', ['pull_params.h', ['../pull__params_8h.xhtml', 1, '']]],\n@@ -1378,25 +1378,25 @@\n     ['pull_5fprint_5foutput_843', ['pull_print_output', ['../output_8h.xhtml#a03a31b1f513efb311037d8520ddb62d5', 1, 'output.cpp']]],\n     ['pull_5frotation_2ecpp_844', ['pull_rotation.cpp', ['../programs_2mdrun_2tests_2pull__rotation_8cpp.xhtml', 1, '']]],\n     ['pull_5frotation_2eh_845', ['pull_rotation.h', ['../pull__rotation_8h.xhtml', 1, '']]],\n     ['pull_5ftype_846', ['pull_type', ['../structt__pullcoord.xhtml#a3659723b352a0c351b5525011edfe521', 1, 't_pullcoord']]],\n     ['pull_5fwork_847', ['pull_work', ['../classanonymous__namespace_02minimize_8cpp_03_1_1EnergyEvaluator.xhtml#a75047e8a44584fcb4e0f2bb662723254', 1, 'anonymous_namespace{minimize.cpp}::EnergyEvaluator']]],\n     ['pullcheckpbcwithingroup_848', ['pullCheckPbcWithinGroup', ['../pull_8h.xhtml#ab09591734914d2d04d712aebfbf23972', 1, 'pull.h']]],\n     ['pullcheckpbcwithingroups_849', ['pullCheckPbcWithinGroups', ['../pull_8h.xhtml#a22765fba515ab711be631bbbe08310e7', 1, 'pull.h']]],\n-    ['pullcoordexpressionparser_850', ['pullcoordexpressionparser', ['../classgmx_1_1PullCoordExpressionParser.xhtml#a69a4582d47f4dbbfdee1fff7be371bb0', 1, 'gmx::PullCoordExpressionParser::PullCoordExpressionParser()'],\n-        ['../classgmx_1_1PullCoordExpressionParser.xhtml', 1, 'gmx::PullCoordExpressionParser']\n+    ['pullcoordexpressionparser_850', ['pullcoordexpressionparser', ['../classgmx_1_1PullCoordExpressionParser.xhtml', 1, 'gmx::PullCoordExpressionParser'],\n+        ['../classgmx_1_1PullCoordExpressionParser.xhtml#a69a4582d47f4dbbfdee1fff7be371bb0', 1, 'gmx::PullCoordExpressionParser::PullCoordExpressionParser()']\n     ]],\n     ['pullcoordexpressionparser_2eh_851', ['pullcoordexpressionparser.h', ['../pullcoordexpressionparser_8h.xhtml', 1, '']]],\n     ['pullcoordindex_5f_852', ['pullCoordIndex_', ['../structgmx_1_1BiasCoupledToSystem.xhtml#a2af1237e8b1f71f4130b923bd2ed1c7d', 1, 'gmx::BiasCoupledToSystem']]],\n-    ['pulldimparams_853', ['pulldimparams', ['../structgmx_1_1DimParams.xhtml#a2bca3ab6e4db03bd35113c1f95f5df80', 1, 'gmx::DimParams::pullDimParams(double conversionFactor, double forceConstant, double beta)'],\n+    ['pulldimparams_853', ['pulldimparams', ['../structgmx_1_1DimParams_1_1PullDimParams.xhtml', 1, 'gmx::DimParams::PullDimParams'],\n         ['../structgmx_1_1DimParams.xhtml#ae85515d4f2dbadb5f05849791cf7aa2c', 1, 'gmx::DimParams::pullDimParams() const'],\n-        ['../structgmx_1_1DimParams_1_1PullDimParams.xhtml', 1, 'gmx::DimParams::PullDimParams']\n+        ['../structgmx_1_1DimParams.xhtml#a2bca3ab6e4db03bd35113c1f95f5df80', 1, 'gmx::DimParams::pullDimParams(double conversionFactor, double forceConstant, double beta)']\n     ]],\n-    ['pullelement_854', ['pullelement', ['../classgmx_1_1PullElement.xhtml', 1, 'gmx::PullElement'],\n-        ['../classgmx_1_1PullElement.xhtml#ad0a8fb319d8d31c9233ed736f4f5675e', 1, 'gmx::PullElement::PullElement()']\n+    ['pullelement_854', ['pullelement', ['../classgmx_1_1PullElement.xhtml#ad0a8fb319d8d31c9233ed736f4f5675e', 1, 'gmx::PullElement::PullElement()'],\n+        ['../classgmx_1_1PullElement.xhtml', 1, 'gmx::PullElement']\n     ]],\n     ['pullelement_2ecpp_855', ['pullelement.cpp', ['../pullelement_8cpp.xhtml', 1, '']]],\n     ['pullelement_2eh_856', ['pullelement.h', ['../pullelement_8h.xhtml', 1, '']]],\n     ['pullgroupgeometry_857', ['PullGroupGeometry', ['../md__enums_8h.xhtml#a3c39678b5ca68fa66b7f12615f9c2d22', 1, 'md_enums.h']]],\n     ['pullhistory_858', ['pullHistory', ['../structObservablesHistory.xhtml#a97a66d7379fb71dfb6799ee15528f2a4', 1, 'ObservablesHistory']]],\n     ['pullhistory_2eh_859', ['pullhistory.h', ['../pullhistory_8h.xhtml', 1, '']]],\n     ['pullingalgorithm_860', ['PullingAlgorithm', ['../md__enums_8h.xhtml#a07879277b22cbe7bbee52b15e64f79c8', 1, 'md_enums.h']]],\n@@ -1411,20 +1411,20 @@\n     ]],\n     ['pushback_865', ['pushBack', ['../classgmx_1_1ListOfLists.xhtml#ae18ce1449394739fcece544b581cb276', 1, 'gmx::ListOfLists']]],\n     ['pushbacklistofsize_866', ['pushBackListOfSize', ['../classgmx_1_1ListOfLists.xhtml#a5cc2f517914ce460fbbc72fe7abd4c72', 1, 'gmx::ListOfLists']]],\n     ['put_5fatoms_5fin_5fbox_867', ['put_atoms_in_box', ['../pbc_8cpp.xhtml#a610564f01ba42ba37b644eec1bb8d3df', 1, 'pbc.cpp']]],\n     ['put_5fatoms_5fin_5fbox_5fomp_868', ['put_atoms_in_box_omp', ['../pbc_8cpp.xhtml#a40a33ad9c319d581155eba31d9d26b17', 1, 'pbc.cpp']]],\n     ['put_5fatoms_5fin_5fcompact_5funitcell_869', ['put_atoms_in_compact_unitcell', ['../pbc_8cpp.xhtml#a428ad6fc47d5d0b15c96ca4c1b6cb903', 1, 'pbc.cpp']]],\n     ['put_5fatoms_5fin_5ftriclinic_5funitcell_870', ['put_atoms_in_triclinic_unitcell', ['../pbc_8cpp.xhtml#a55aaad77afec7b9eaebb70b687754d03', 1, 'pbc.cpp']]],\n-    ['put_5fsymtab_871', ['put_symtab', ['../symtab_8h.xhtml#a377a8638008626830ced16bb07f9c3ba', 1, 'put_symtab(t_symtab *symtab, const char *name):&#160;symtab.cpp'],\n-        ['../symtab_8cpp.xhtml#a377a8638008626830ced16bb07f9c3ba', 1, 'put_symtab(t_symtab *symtab, const char *name):&#160;symtab.cpp']\n+    ['put_5fsymtab_871', ['put_symtab', ['../symtab_8cpp.xhtml#a377a8638008626830ced16bb07f9c3ba', 1, 'put_symtab(t_symtab *symtab, const char *name):&#160;symtab.cpp'],\n+        ['../symtab_8h.xhtml#a377a8638008626830ced16bb07f9c3ba', 1, 'put_symtab(t_symtab *symtab, const char *name):&#160;symtab.cpp']\n     ]],\n     ['putatomoffsetinreceiverrankxbuf_5f_872', ['putAtomOffsetInReceiverRankXBuf_', ['../structgmx_1_1nvshmemHaloExchangeOps.xhtml#ab55f1a71499c31b9b38d26d1554d3af8', 1, 'gmx::nvshmemHaloExchangeOps']]],\n     ['putatomsinbox_873', ['putAtomsInBox', ['../namespacegmx_1_1test.xhtml#a16e9acd28f4b4c994840404345c7e850', 1, 'gmx::test']]],\n     ['putatomsongrid_874', ['putAtomsOnGrid', ['../structgmx_1_1nonbonded__verlet__t.xhtml#a39bd7ce6853702e6175a08b428ce7b09', 1, 'gmx::nonbonded_verlet_t']]],\n-    ['putongrid_875', ['putongrid', ['../classgmx_1_1PairSearch.xhtml#a38babb5c6e50d88736b273098a3d0eb2', 1, 'gmx::PairSearch::putOnGrid()'],\n-        ['../classgmx_1_1GridSet.xhtml#a28aad20395e7581ee75db055f35bd52c', 1, 'gmx::GridSet::putOnGrid()']\n+    ['putongrid_875', ['putongrid', ['../classgmx_1_1GridSet.xhtml#a28aad20395e7581ee75db055f35bd52c', 1, 'gmx::GridSet::putOnGrid()'],\n+        ['../classgmx_1_1PairSearch.xhtml#a38babb5c6e50d88736b273098a3d0eb2', 1, 'gmx::PairSearch::putOnGrid()']\n     ]],\n     ['putupdategroupatomsinsameperiodicimage_876', ['putUpdateGroupAtomsInSamePeriodicImage', ['../domdec_8h.xhtml#aec7dc3c12bedaa5db84bfcd1f4d5a3ae', 1, 'domdec.cpp']]],\n     ['pvc_5fxl_5fa0_877', ['PVC_XL_A0', ['../device__management__sycl__intel__device__ids_8cpp.xhtml#a2cbf4ef8d324a75842da95cf157ad662a038a1f9bb8abed236b40371bb4927cdb', 1, 'device_management_sycl_intel_device_ids.cpp']]],\n     ['pvc_5fxl_5fa0p_878', ['PVC_XL_A0P', ['../device__management__sycl__intel__device__ids_8cpp.xhtml#a2cbf4ef8d324a75842da95cf157ad662a2b709d62dd12a97fd15b381c2baf3a71', 1, 'device_management_sycl_intel_device_ids.cpp']]]\n ];\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_14.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_14.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -24,16 +24,16 @@\n     ['qmmm_2eh_14', ['qmmm.h', ['../qmmm_8h.xhtml', 1, '']]],\n     ['qmmmforceprovider_15', ['QMMMForceProvider', ['../classgmx_1_1QMMMForceProvider.xhtml', 1, 'gmx']]],\n     ['qmmmforceprovider_2ecpp_16', ['qmmmforceprovider.cpp', ['../tests_2qmmmforceprovider_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../qmmmforceprovider_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['qmmmforceprovider_2eh_17', ['qmmmforceprovider.h', ['../qmmmforceprovider_8h.xhtml', 1, '']]],\n     ['qmmmforceprovider_5fstub_2ecpp_18', ['qmmmforceprovider_stub.cpp', ['../qmmmforceprovider__stub_8cpp.xhtml', 1, '']]],\n-    ['qmmminputgenerator_19', ['qmmminputgenerator', ['../classgmx_1_1QMMMInputGenerator.xhtml', 1, 'gmx::QMMMInputGenerator'],\n-        ['../classgmx_1_1QMMMInputGenerator.xhtml#aa0847e6ee608ea7444b36c9db6e0bdd6', 1, 'gmx::QMMMInputGenerator::QMMMInputGenerator()']\n+    ['qmmminputgenerator_19', ['qmmminputgenerator', ['../classgmx_1_1QMMMInputGenerator.xhtml#aa0847e6ee608ea7444b36c9db6e0bdd6', 1, 'gmx::QMMMInputGenerator::QMMMInputGenerator()'],\n+        ['../classgmx_1_1QMMMInputGenerator.xhtml', 1, 'gmx::QMMMInputGenerator']\n     ]],\n     ['qmmminputgenerator_2ecpp_20', ['qmmminputgenerator.cpp', ['../tests_2qmmminputgenerator_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../qmmminputgenerator_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['qmmminputgenerator_2eh_21', ['qmmminputgenerator.h', ['../qmmminputgenerator_8h.xhtml', 1, '']]],\n     ['qmmmmdptransformfromstring_22', ['QMMMMdpTransformFromString', ['../namespacegmx_1_1anonymous__namespace_02qmmmoptions_8cpp_03.xhtml#a704afcf71de3ae29cf3c3a260c8e8e0c', 1, 'gmx::anonymous_namespace{qmmmoptions.cpp}']]],\n     ['qmmmmoduleinfo_23', ['QMMMModuleInfo', ['../structgmx_1_1QMMMModuleInfo.xhtml', 1, 'gmx']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_15.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_15.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -343,16 +343,16 @@\n     ]],\n     ['refids_213', ['refIds', ['../classgmx_1_1Selection.xhtml#a14558d886a11842e39a1f93dfd1db358', 1, 'gmx::Selection']]],\n     ['refindex_214', ['refIndex', ['../classgmx_1_1AnalysisNeighborhoodPair.xhtml#a713650494eafbd30a66902c2971f16fe', 1, 'gmx::AnalysisNeighborhoodPair']]],\n     ['refpairlist_215', ['RefPairList', ['../namespaceanonymous__namespace_02nbsearch_8cpp_03.xhtml#ac1da2ff320001e88dcc42758f8a3c21e', 1, 'anonymous_namespace{nbsearch.cpp}']]],\n     ['refproj_216', ['refproj', ['../structanonymous__namespace_02edsam_8cpp_03_1_1t__eigvec.xhtml#aa6c9c57d3dff85411b0faa930c3dcc71', 1, 'anonymous_namespace{edsam.cpp}::t_eigvec']]],\n     ['refreshmassesandcharges_217', ['refreshMassesAndCharges', ['../classgmx_1_1internal_1_1SelectionData.xhtml#ad86105740719b15fd3c97f7badc16b5c', 1, 'gmx::internal::SelectionData']]],\n     ['refreshname_218', ['refreshName', ['../classgmx_1_1internal_1_1SelectionData.xhtml#aa9b2de19d441e2bbad3f0a3d9a6aa8dd', 1, 'gmx::internal::SelectionData']]],\n-    ['register_2ecpp_219', ['register.cpp', ['../frameconverters_2register_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2register_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['register_2ecpp_219', ['register.cpp', ['../tests_2register_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../frameconverters_2register_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['register_2eh_220', ['register.h', ['../register_8h.xhtml', 1, '']]],\n     ['register_5fexternal_5fpull_5fpotential_221', ['register_external_pull_potential', ['../pull_8h.xhtml#a86dbe05b3e003570d0fa27706bebe5df', 1, 'pull.cpp']]],\n     ['registeranalysisdataset_222', ['registerAnalysisDataset', ['../classgmx_1_1TrajectoryAnalysisModule.xhtml#a86b3b5cd87518e988e8b5452b39a3ad1', 1, 'gmx::TrajectoryAnalysisModule']]],\n     ['registerawhwithpull_223', ['registerAwhWithPull', ['../classgmx_1_1Awh.xhtml#af8957a0084804002508feb702f0e924a', 1, 'gmx::Awh']]],\n     ['registerbasicdataset_224', ['registerBasicDataset', ['../classgmx_1_1TrajectoryAnalysisModule.xhtml#ad946d2af4c8e284ef349f2cd816495bb', 1, 'gmx::TrajectoryAnalysisModule']]],\n     ['registerclient_225', ['registerclient', ['../classgmx_1_1CheckpointHelperBuilder.xhtml#a1bdeec36162c0a061c2a2079406795c3', 1, 'gmx::CheckpointHelperBuilder::registerClient()'],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_16.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_16.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -499,74 +499,74 @@\n     ['sendcoordinatestopme_324', ['sendCoordinatesToPme', ['../classgmx_1_1PmePpCommGpu_1_1Impl.xhtml#a62f1a1eff1d210698c8c53876905082f', 1, 'gmx::PmePpCommGpu::Impl']]],\n     ['sendcoordinatestopmefromcpu_325', ['sendCoordinatesToPmeFromCpu', ['../classgmx_1_1PmePpCommGpu.xhtml#aac4a3a7e70b11f1197826e37bb080bca', 1, 'gmx::PmePpCommGpu']]],\n     ['sendcoordinatestopmefromgpu_326', ['sendCoordinatesToPmeFromGpu', ['../classgmx_1_1PmePpCommGpu.xhtml#aca9637ed98e605eb38acfb3f1db3cfc6', 1, 'gmx::PmePpCommGpu']]],\n     ['sendenergies_327', ['sendEnergies', ['../classgmx_1_1MimicCommunicator.xhtml#ab9d1443e7599eba59af3e8866a08574e', 1, 'gmx::MimicCommunicator']]],\n     ['sendforces_328', ['sendForces', ['../classgmx_1_1MimicCommunicator.xhtml#a72da9bef1f60506d755bd218846035da', 1, 'gmx::MimicCommunicator']]],\n     ['sendforcesdirecttoppgpu_329', ['sendForcesDirectToPpGpu', ['../structgmx__pme__pp.xhtml#a209fc2f7867ff6901c6e8ce977f54eff', 1, 'gmx_pme_pp']]],\n     ['sendftoppgpuawarempi_330', ['sendftoppgpuawarempi', ['../classgmx_1_1PmeForceSenderGpu.xhtml#aec4535379f56724c0230d2cf84637c04', 1, 'gmx::PmeForceSenderGpu::sendFToPpGpuAwareMpi()'],\n-        ['../classgmx_1_1PmeForceSenderGpu_1_1Impl.xhtml#a928876afdf2aa59e65a3f8c32bf401de', 1, 'gmx::PmeForceSenderGpu::Impl::sendFToPpGpuAwareMpi(DeviceBuffer&lt; RVec &gt; sendbuf, int offset, int numBytes, int ppRank, MPI_Request *request)']\n+        ['../classgmx_1_1PmeForceSenderGpu_1_1Impl.xhtml#a928876afdf2aa59e65a3f8c32bf401de', 1, 'gmx::PmeForceSenderGpu::Impl::sendFToPpGpuAwareMpi()']\n     ]],\n-    ['sendftopppeertopeer_331', ['sendftopppeertopeer', ['../classgmx_1_1PmeForceSenderGpu_1_1Impl.xhtml#a32fa8a38e5ceef0147a72f5359dd572c', 1, 'gmx::PmeForceSenderGpu::Impl::sendFToPpPeerToPeer()'],\n-        ['../classgmx_1_1PmeForceSenderGpu.xhtml#aae40adba2195e64f4afb246e49b869de', 1, 'gmx::PmeForceSenderGpu::sendFToPpPeerToPeer()']\n+    ['sendftopppeertopeer_331', ['sendftopppeertopeer', ['../classgmx_1_1PmeForceSenderGpu.xhtml#aae40adba2195e64f4afb246e49b869de', 1, 'gmx::PmeForceSenderGpu::sendFToPpPeerToPeer()'],\n+        ['../classgmx_1_1PmeForceSenderGpu_1_1Impl.xhtml#a32fa8a38e5ceef0147a72f5359dd572c', 1, 'gmx::PmeForceSenderGpu::Impl::sendFToPpPeerToPeer()']\n     ]],\n     ['sendinitdata_332', ['sendInitData', ['../classgmx_1_1MimicCommunicator.xhtml#a9c08a5c6effe79ce071a85ff228da148', 1, 'gmx::MimicCommunicator']]],\n     ['sendxbuf_333', ['sendxbuf', ['../classgmx_1_1ImdSession_1_1Impl.xhtml#a8406c909832be820f0ca7940cd86990b', 1, 'gmx::ImdSession::Impl']]],\n     ['separatedhdlfile_334', ['SeparateDhdlFile', ['../md__enums_8h.xhtml#ae8d0187ba4608fb1f8713e7e9d78c8ba', 1, 'md_enums.h']]],\n     ['separatepmerankspermitted_335', ['SeparatePmeRanksPermitted', ['../classgmx_1_1SeparatePmeRanksPermitted.xhtml', 1, 'gmx']]],\n     ['seqindex_5f_336', ['seqIndex_', ['../classgmx_1_1test_1_1TestReferenceChecker_1_1Impl.xhtml#a5de7f1436e0bfefd57108e96072cf242', 1, 'gmx::test::TestReferenceChecker::Impl']]],\n     ['sequence_20diagrams_337', ['Sequence diagrams', ['../page_modularsimulator.xhtml#autotoc_md15', 1, '']]],\n-    ['serialize_338', ['serialize', ['../namespacegmx_1_1anonymous__namespace_02mrcserializer_8cpp_03.xhtml#a50048c80aa705da4cef888a46a967798', 1, 'gmx::anonymous_namespace{mrcserializer.cpp}::serialize(ISerializer *serializer, ContainerType *valueContainer)'],\n-        ['../namespacegmx_1_1anonymous__namespace_02mrcserializer_8cpp_03.xhtml#acf297bf2a7ec62dea44eb8b365d03ab0', 1, 'gmx::anonymous_namespace{mrcserializer.cpp}::serialize(ISerializer *serializer, ContainerType *valueContainer)'],\n-        ['../classgmx_1_1AwhParams.xhtml#af13d6b0b5b25414cbe239ee68ee7d77b', 1, 'gmx::AwhParams::serialize()'],\n+    ['serialize_338', ['serialize', ['../classStringTableEntry.xhtml#a247dac31349e22ce9fbd2d3bffc55391', 1, 'StringTableEntry::serialize()'],\n+        ['../namespacegmx_1_1anonymous__namespace_02mrcserializer_8cpp_03.xhtml#acf297bf2a7ec62dea44eb8b365d03ab0', 1, 'gmx::anonymous_namespace{mrcserializer.cpp}::serialize()'],\n         ['../classgmx_1_1WriteCheckpointDataHolder.xhtml#a7280a156bf095d56ba0dd6603f66695c', 1, 'gmx::WriteCheckpointDataHolder::serialize()'],\n-        ['../classStringTableEntry.xhtml#a247dac31349e22ce9fbd2d3bffc55391', 1, 'StringTableEntry::serialize()']\n+        ['../classgmx_1_1AwhParams.xhtml#af13d6b0b5b25414cbe239ee68ee7d77b', 1, 'gmx::AwhParams::serialize()'],\n+        ['../namespacegmx_1_1anonymous__namespace_02mrcserializer_8cpp_03.xhtml#a50048c80aa705da4cef888a46a967798', 1, 'gmx::anonymous_namespace{mrcserializer.cpp}::serialize(ISerializer *serializer, ContainerType *valueContainer)']\n     ]],\n     ['serializeasint32_339', ['serializeAsInt32', ['../namespacegmx_1_1anonymous__namespace_02mrcserializer_8cpp_03.xhtml#a21f390715ba1be46887d59e4d0857c5d', 1, 'gmx::anonymous_namespace{mrcserializer.cpp}']]],\n     ['serializecrystallographicskewdata_340', ['serializeCrystallographicSkewData', ['../namespacegmx_1_1anonymous__namespace_02mrcserializer_8cpp_03.xhtml#a03ec44827db007bff7a4b464e6f60946', 1, 'gmx::anonymous_namespace{mrcserializer.cpp}']]],\n-    ['serializedeviceinformations_341', ['serializedeviceinformations', ['../device__management_8h.xhtml#a0474af76f1cd285db14571db25ab25cb', 1, 'serializeDeviceInformations(const std::vector&lt; std::unique_ptr&lt; DeviceInformation &gt; &gt; &amp;deviceInfoList, gmx::ISerializer *serializer):&#160;device_management_common.cpp'],\n-        ['../device__management__common_8cpp.xhtml#a0474af76f1cd285db14571db25ab25cb', 1, 'serializeDeviceInformations(const std::vector&lt; std::unique_ptr&lt; DeviceInformation &gt; &gt; &amp;deviceInfoList, gmx::ISerializer *serializer):&#160;device_management_common.cpp']\n+    ['serializedeviceinformations_341', ['serializedeviceinformations', ['../device__management__common_8cpp.xhtml#a0474af76f1cd285db14571db25ab25cb', 1, 'serializeDeviceInformations(const std::vector&lt; std::unique_ptr&lt; DeviceInformation &gt; &gt; &amp;deviceInfoList, gmx::ISerializer *serializer):&#160;device_management_common.cpp'],\n+        ['../device__management_8h.xhtml#a0474af76f1cd285db14571db25ab25cb', 1, 'serializeDeviceInformations(const std::vector&lt; std::unique_ptr&lt; DeviceInformation &gt; &gt; &amp;deviceInfoList, gmx::ISerializer *serializer):&#160;device_management_common.cpp']\n     ]],\n     ['serializedistance_342', ['serializeDistance', ['../namespacegmx_1_1anonymous__namespace_02mrcserializer_8cpp_03.xhtml#ad082c292293ec38f61e8e8d7099adfc1', 1, 'gmx::anonymous_namespace{mrcserializer.cpp}']]],\n     ['serializefepstatevalue_343', ['serializeFEPStateValue', ['../namespaceanonymous__namespace_02atoms_8cpp_03.xhtml#affc6d54d2995d645c93d6ce969d08b60', 1, 'anonymous_namespace{atoms.cpp}']]],\n     ['serializeindex_344', ['serializeIndex', ['../namespacegmx_1_1anonymous__namespace_02mrcserializer_8cpp_03.xhtml#a9f8b9fdd59cb7ab0c3b02ba9049086ba', 1, 'gmx::anonymous_namespace{mrcserializer.cpp}']]],\n     ['serializeindices_345', ['serializeIndices', ['../namespacegmx_1_1anonymous__namespace_02mrcserializer_8cpp_03.xhtml#a54d8c4a0fd3adda2006c2e87469a9fbe', 1, 'gmx::anonymous_namespace{mrcserializer.cpp}']]],\n     ['serializekeyvaluetree_346', ['serializeKeyValueTree', ['../group__module__utility.xhtml#gac492f6f7f07670658a028ddddaf2b2ab', 1, 'gmx']]],\n     ['serializemrcdensitymapheader_347', ['serializeMrcDensityMapHeader', ['../namespacegmx.xhtml#a5155703ab2ced2f51fb4533e20006061', 1, 'gmx']]],\n     ['serializeparticle_348', ['serializeParticle', ['../classSimulationParticle.xhtml#a75cf84775c19b87cbe4123e3083cec80', 1, 'SimulationParticle']]],\n     ['serializestringtable_349', ['serializeStringTable', ['../classStringTable.xhtml#a15fcf1107a2f8641e5bb29660e568afe', 1, 'StringTable']]],\n-    ['serializevalue_350', ['serializevalue', ['../namespaceanonymous__namespace_02atoms_8cpp_03.xhtml#a217ed846a46d7f46b27ddd8e2cb523ff', 1, 'anonymous_namespace{atoms.cpp}::serializeValue(gmx::ISerializer *serializer, real *value)'],\n-        ['../namespaceanonymous__namespace_02atoms_8cpp_03.xhtml#afe178996894904b7dfd46f4ca3c0a6b8', 1, 'anonymous_namespace{atoms.cpp}::serializeValue(gmx::ISerializer *serializer, NameHolder *value, const StringTable &amp;table)'],\n-        ['../namespaceanonymous__namespace_02atoms_8cpp_03.xhtml#a3157b99b1bedcfe7b4265f83cb6bc3f4', 1, 'anonymous_namespace{atoms.cpp}::serializeValue(gmx::ISerializer *serializer, NameHolder *value)'],\n-        ['../namespaceanonymous__namespace_02atoms_8cpp_03.xhtml#a745fdcc1e0a8b9364ff6df20862a33ce', 1, 'anonymous_namespace{atoms.cpp}::serializeValue(gmx::ISerializer *serializer, unsigned short *value)']\n+    ['serializevalue_350', ['serializevalue', ['../namespaceanonymous__namespace_02atoms_8cpp_03.xhtml#afe178996894904b7dfd46f4ca3c0a6b8', 1, 'anonymous_namespace{atoms.cpp}::serializeValue(gmx::ISerializer *serializer, NameHolder *value, const StringTable &amp;table)'],\n+        ['../namespaceanonymous__namespace_02atoms_8cpp_03.xhtml#a745fdcc1e0a8b9364ff6df20862a33ce', 1, 'anonymous_namespace{atoms.cpp}::serializeValue(gmx::ISerializer *serializer, unsigned short *value)'],\n+        ['../namespaceanonymous__namespace_02atoms_8cpp_03.xhtml#a217ed846a46d7f46b27ddd8e2cb523ff', 1, 'anonymous_namespace{atoms.cpp}::serializeValue(gmx::ISerializer *serializer, real *value)'],\n+        ['../namespaceanonymous__namespace_02atoms_8cpp_03.xhtml#a3157b99b1bedcfe7b4265f83cb6bc3f4', 1, 'anonymous_namespace{atoms.cpp}::serializeValue(gmx::ISerializer *serializer, NameHolder *value)']\n     ]],\n     ['serializevaluetype_351', ['serializeValueType', ['../namespacegmx_1_1anonymous__namespace_02keyvaluetreeserializer_8cpp_03.xhtml#ae6763d0fe0a3afb9c9d057f76a41e2d5', 1, 'gmx::anonymous_namespace{keyvaluetreeserializer.cpp}']]],\n     ['series_5fsinhx_352', ['series_sinhx', ['../namespacegmx.xhtml#a92d3eb4aaecff5c613995ed4bce22a0a', 1, 'gmx']]],\n     ['sessionpossible_353', ['sessionPossible', ['../classgmx_1_1ImdSession_1_1Impl.xhtml#a2a520cd67703dbad9a08fa372e88cdf3', 1, 'gmx::ImdSession::Impl']]],\n-    ['set_354', ['set', ['../classgmx_1_1SimulationSignal.xhtml#a2f60c4f184cf42ebd97c52c91d287f63', 1, 'gmx::SimulationSignal::set'],\n-        ['../classgmx_1_1LincsGpu.xhtml#a7c7ef58ff02dd4b25f4c3b3618694ba4', 1, 'gmx::LincsGpu::set()'],\n-        ['../classgmx_1_1SettleGpu.xhtml#a5368b3f8d0668cf397c08f196f10a638', 1, 'gmx::SettleGpu::set()'],\n-        ['../parser__internal_8h.xhtml#a8553aeb4ef79ad62e90241cf54e221d5', 1, 'set():&#160;parser_internal.h'],\n-        ['../classgmx_1_1UpdateConstrainGpu_1_1Impl.xhtml#a684c2f7bcbac6dfbb29b1223cb083af0', 1, 'gmx::UpdateConstrainGpu::Impl::set()'],\n+    ['set_354', ['set', ['../classgmx_1_1SettleGpu.xhtml#a5368b3f8d0668cf397c08f196f10a638', 1, 'gmx::SettleGpu::set()'],\n+        ['../classgmx_1_1FlagsTemplate.xhtml#a6964255db6b459fddd71b8a87c0c8211', 1, 'gmx::FlagsTemplate::set(FlagType flag, bool bSet)'],\n         ['../classgmx_1_1FlagsTemplate.xhtml#a0a4b09657a2bf81b9a7765d7560da202', 1, 'gmx::FlagsTemplate::set(FlagType flag)'],\n-        ['../classgmx_1_1FlagsTemplate.xhtml#a6964255db6b459fddd71b8a87c0c8211', 1, 'gmx::FlagsTemplate::set(FlagType flag, bool bSet)']\n+        ['../classgmx_1_1UpdateConstrainGpu_1_1Impl.xhtml#a684c2f7bcbac6dfbb29b1223cb083af0', 1, 'gmx::UpdateConstrainGpu::Impl::set()'],\n+        ['../parser__internal_8h.xhtml#a8553aeb4ef79ad62e90241cf54e221d5', 1, 'set():&#160;parser_internal.h'],\n+        ['../classgmx_1_1SimulationSignal.xhtml#a2f60c4f184cf42ebd97c52c91d287f63', 1, 'gmx::SimulationSignal::set'],\n+        ['../classgmx_1_1LincsGpu.xhtml#a7c7ef58ff02dd4b25f4c3b3618694ba4', 1, 'gmx::LincsGpu::set()']\n     ]],\n     ['set_5fatoms_355', ['set_atoms', ['../indexutil_8cpp.xhtml#a70ece65ec7e83272fca80a96ef3d2847', 1, 'indexutil.cpp']]],\n     ['set_5fbox_5frel_356', ['set_box_rel', ['../state_8h.xhtml#a6f96a8a73bc80a569e68d84bdea39eeb', 1, 'state.cpp']]],\n     ['set_5fdd_5fcell_5fsizes_357', ['set_dd_cell_sizes', ['../cellsizes_8h.xhtml#a13a488d22b535ac37feeeea1976d02a2', 1, 'cellsizes.cpp']]],\n     ['set_5fdd_5fcell_5fsizes_5fslb_358', ['set_dd_cell_sizes_slb', ['../cellsizes_8h.xhtml#a636bac8dbffda8e0f69cee7b6f2fbfdc', 1, 'cellsizes.cpp']]],\n     ['set_5fdd_5fcorners_359', ['set_dd_corners', ['../partition_8cpp.xhtml#ae66c14d715a0611d7a8224fe94c4bf22', 1, 'partition.cpp']]],\n     ['set_5fdd_5fdim_360', ['set_dd_dim', ['../domdec__setup_8cpp.xhtml#a48adf64b6000c286d6bcc18476b350ed', 1, 'domdec_setup.cpp']]],\n-    ['set_5fdd_5fdlb_5fmax_5fcutoff_361', ['set_dd_dlb_max_cutoff', ['../partition_8cpp.xhtml#a2835023cad6d4adddea91fcec249e9bc', 1, 'set_dd_dlb_max_cutoff(t_commrec *cr, real cutoff):&#160;partition.cpp'],\n-        ['../dlb_8h.xhtml#a157bf71cdab9ea140756a04b124db881', 1, 'set_dd_dlb_max_cutoff(struct t_commrec *cr, real cutoff):&#160;partition.cpp']\n+    ['set_5fdd_5fdlb_5fmax_5fcutoff_361', ['set_dd_dlb_max_cutoff', ['../dlb_8h.xhtml#a157bf71cdab9ea140756a04b124db881', 1, 'set_dd_dlb_max_cutoff(struct t_commrec *cr, real cutoff):&#160;partition.cpp'],\n+        ['../partition_8cpp.xhtml#a2835023cad6d4adddea91fcec249e9bc', 1, 'set_dd_dlb_max_cutoff(t_commrec *cr, real cutoff):&#160;partition.cpp']\n     ]],\n     ['set_5fddbox_362', ['set_ddbox', ['../box_8cpp.xhtml#a09243bfbf2345fb0a087fef39778b82b', 1, 'set_ddbox(const gmx_domdec_t &amp;dd, bool mainRankHasTheSystemState, const matrix box, bool calculateUnboundedSize, gmx::ArrayRef&lt; const gmx::RVec &gt; x, gmx_ddbox_t *ddbox):&#160;box.cpp'],\n         ['../box_8h.xhtml#a09243bfbf2345fb0a087fef39778b82b', 1, 'set_ddbox(const gmx_domdec_t &amp;dd, bool mainRankHasTheSystemState, const matrix box, bool calculateUnboundedSize, gmx::ArrayRef&lt; const gmx::RVec &gt; x, gmx_ddbox_t *ddbox):&#160;box.cpp']\n     ]],\n-    ['set_5fddbox_5fcr_363', ['set_ddbox_cr', ['../box_8h.xhtml#a52357ea3f4fc5083f33b68b2dba2eb34', 1, 'set_ddbox_cr(DDRole ddRole, MPI_Comm communicator, const gmx::IVec *numDomains, const t_inputrec &amp;ir, const matrix box, gmx::ArrayRef&lt; const gmx::RVec &gt; x, gmx_ddbox_t *ddbox):&#160;box.cpp'],\n-        ['../box_8cpp.xhtml#a52357ea3f4fc5083f33b68b2dba2eb34', 1, 'set_ddbox_cr(DDRole ddRole, MPI_Comm communicator, const gmx::IVec *numDomains, const t_inputrec &amp;ir, const matrix box, gmx::ArrayRef&lt; const gmx::RVec &gt; x, gmx_ddbox_t *ddbox):&#160;box.cpp']\n+    ['set_5fddbox_5fcr_363', ['set_ddbox_cr', ['../box_8cpp.xhtml#a52357ea3f4fc5083f33b68b2dba2eb34', 1, 'set_ddbox_cr(DDRole ddRole, MPI_Comm communicator, const gmx::IVec *numDomains, const t_inputrec &amp;ir, const matrix box, gmx::ArrayRef&lt; const gmx::RVec &gt; x, gmx_ddbox_t *ddbox):&#160;box.cpp'],\n+        ['../box_8h.xhtml#a52357ea3f4fc5083f33b68b2dba2eb34', 1, 'set_ddbox_cr(DDRole ddRole, MPI_Comm communicator, const gmx::IVec *numDomains, const t_inputrec &amp;ir, const matrix box, gmx::ArrayRef&lt; const gmx::RVec &gt; x, gmx_ddbox_t *ddbox):&#160;box.cpp']\n     ]],\n     ['set_5fdlb_5flimits_364', ['set_dlb_limits', ['../dlb_8h.xhtml#afaf4f569d865a98d3fa62b86aecc8e77', 1, 'set_dlb_limits(gmx_domdec_t *dd):&#160;dlb.cpp'],\n         ['../dlb_8cpp.xhtml#afaf4f569d865a98d3fa62b86aecc8e77', 1, 'set_dlb_limits(gmx_domdec_t *dd):&#160;dlb.cpp']\n     ]],\n     ['set_5fempty_365', ['set_empty', ['../parser__internal_8h.xhtml#a0340e95b333de1fa7bf551b2a87448e7', 1, 'parser_internal.h']]],\n     ['set_5fevaluation_5ffunction_366', ['set_evaluation_function', ['../compiler_8cpp.xhtml#a35320786c5039f3728adb84d85bd4c2b', 1, 'compiler.cpp']]],\n     ['set_5fexpr_5fvalue_5fstore_367', ['set_expr_value_store', ['../params_8cpp.xhtml#a5da3b2e33fb571c3956ee81d257a8fc1', 1, 'params.cpp']]],\n@@ -584,17 +584,17 @@\n     ['set_5fposcoll_5fpos_379', ['set_poscoll_pos', ['../sm__position_8cpp.xhtml#a91b6fe60490830e01753fc702a4f0da6', 1, 'sm_position.cpp']]],\n     ['set_5frefpos_5ftype_380', ['set_refpos_type', ['../parsetree_8cpp.xhtml#a57baca0c38204cd51a3d1a433936599e', 1, 'parsetree.cpp']]],\n     ['set_5ftric_5fdir_381', ['set_tric_dir', ['../box_8cpp.xhtml#ad1b515f02b66cf33e6aa1cc9ec687875', 1, 'box.cpp']]],\n     ['set_5funit_5fsystem_382', ['set_unit_system', ['../classgmx_1_1ColvarProxyGromacs.xhtml#affa600110ea56d0c552bfd70b97ed047', 1, 'gmx::ColvarProxyGromacs']]],\n     ['set_5fzones_5fnumhomeatoms_383', ['set_zones_numHomeAtoms', ['../partition_8cpp.xhtml#ac86fe3a1da28baad5fe956c844894701', 1, 'partition.cpp']]],\n     ['setabstol_384', ['setAbsTol', ['../classgmx_1_1test_1_1SimdBaseTest.xhtml#aba2dcd7ec0563e05aafd6c176fb286c4', 1, 'gmx::test::SimdBaseTest']]],\n     ['setacceptbooleannoprefix_385', ['setAcceptBooleanNoPrefix', ['../classgmx_1_1OptionsAssigner.xhtml#a56938380411404494b76c1170f7ceb7f', 1, 'gmx::OptionsAssigner']]],\n-    ['setactivedevice_386', ['setactivedevice', ['../device__management_8h.xhtml#a48173236bcd8e9fc7af6ae4472e04b95', 1, 'setActiveDevice(const DeviceInformation &amp;deviceInfo):&#160;device_management.cpp'],\n+    ['setactivedevice_386', ['setactivedevice', ['../device__management__sycl_8cpp.xhtml#a2151c2e4fcc6447a9d753c00748b0aa0', 1, 'setActiveDevice(const DeviceInformation &amp;):&#160;device_management_sycl.cpp'],\n+        ['../device__management_8h.xhtml#a48173236bcd8e9fc7af6ae4472e04b95', 1, 'setActiveDevice(const DeviceInformation &amp;deviceInfo):&#160;device_management.cpp'],\n         ['../device__management_8cpp.xhtml#a2151c2e4fcc6447a9d753c00748b0aa0', 1, 'setActiveDevice(const DeviceInformation &amp;):&#160;device_management.cpp'],\n-        ['../device__management__sycl_8cpp.xhtml#a2151c2e4fcc6447a9d753c00748b0aa0', 1, 'setActiveDevice(const DeviceInformation &amp;):&#160;device_management_sycl.cpp'],\n         ['../device__management__ocl_8cpp.xhtml#a48173236bcd8e9fc7af6ae4472e04b95', 1, 'setActiveDevice(const DeviceInformation &amp;deviceInfo):&#160;device_management_ocl.cpp'],\n         ['../device__management__hip_8cpp.xhtml#a48173236bcd8e9fc7af6ae4472e04b95', 1, 'setActiveDevice(const DeviceInformation &amp;deviceInfo):&#160;device_management_hip.cpp']\n     ]],\n     ['setallowedvaluecount_387', ['setAllowedValueCount', ['../classgmx_1_1SelectionOptionStorage.xhtml#ad9f9dafcb85d5d4097716ec4a1b47771', 1, 'gmx::SelectionOptionStorage']]],\n     ['setalternatesteppptaskcompletionevent_388', ['setAlternateStepPpTaskCompletionEvent', ['../classgmx_1_1MdGpuGraph_1_1Impl.xhtml#a0dda5a4c6c0ce568851edff2d8a1a607', 1, 'gmx::MdGpuGraph::Impl']]],\n     ['setandcheckmtslevels_389', ['setAndCheckMtsLevels', ['../namespacegmx_1_1test_1_1anonymous__namespace_02multipletimestepping_8cpp_03.xhtml#ab30ddb3d9552135e7cdf3f409ca7e440', 1, 'gmx::test::anonymous_namespace{multipletimestepping.cpp}']]],\n     ['setanharmpolarization_390', ['setAnharmPolarization', ['../structgmx_1_1test_1_1anonymous__namespace_02bonded_8cpp_03_1_1iListInput.xhtml#a453466f2383839a833488037e97e52aa', 1, 'gmx::test::anonymous_namespace{bonded.cpp}::iListInput']]],\n@@ -604,16 +604,16 @@\n     ['setatomproperty_394', ['setAtomProperty', ['../classAtomProperties.xhtml#a739d39a4fa53255266ada2df41fa7544', 1, 'AtomProperties']]],\n     ['setatomrangeend_395', ['setAtomRangeEnd', ['../classgmx_1_1DomdecZones.xhtml#ae98910a3b4eb865dfadd0a28fc65c966', 1, 'gmx::DomdecZones']]],\n     ['setatoms_396', ['setatoms', ['../classgmx_1_1SetAtoms.xhtml#a80c1dc4a5976db3daa93602215fb6e04', 1, 'gmx::SetAtoms::SetAtoms(ChangeAtomsType atomFlag, AtomsDataPtr inputAtoms)'],\n         ['../classgmx_1_1SetAtoms.xhtml#acfbc067f9a1b885b52204c156077c712', 1, 'gmx::SetAtoms::SetAtoms(SetAtoms &amp;&amp;old) noexcept'],\n         ['../classgmx_1_1test_1_1SetAtomsTest.xhtml#ae8e6ba12468592edc3e51ce31449532f', 1, 'gmx::test::SetAtomsTest::setAtoms()'],\n         ['../classgmx_1_1SetAtoms.xhtml', 1, 'gmx::SetAtoms']\n     ]],\n-    ['setatoms_2ecpp_397', ['setatoms.cpp', ['../tests_2setatoms_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../outputadapters_2setatoms_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['setatoms_2ecpp_397', ['setatoms.cpp', ['../outputadapters_2setatoms_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2setatoms_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['setatoms_2eh_398', ['setatoms.h', ['../setatoms_8h.xhtml', 1, '']]],\n     ['setatomspointer_399', ['SetAtomsPointer', ['../namespacegmx.xhtml#a88c729a1b6597fd1b7d0ed0e62d4971b', 1, 'gmx']]],\n     ['setatomssupported_400', ['setAtomsSupported', ['../namespacegmx_1_1test.xhtml#ace67bfa1326428a4e92b52de892d709e', 1, 'gmx::test']]],\n     ['setatomssupportedfiles_401', ['SetAtomsSupportedFiles', ['../classgmx_1_1test_1_1SetAtomsSupportedFiles.xhtml', 1, 'gmx::test']]],\n     ['setatomstest_402', ['setatomstest', ['../classgmx_1_1test_1_1SetAtomsTest.xhtml#a551e80ccc16781970f15eba160df0ada', 1, 'gmx::test::SetAtomsTest::SetAtomsTest()'],\n         ['../classgmx_1_1test_1_1SetAtomsTest.xhtml', 1, 'gmx::test::SetAtomsTest']\n@@ -623,17 +623,17 @@\n     ['setattribute_405', ['setAttribute', ['../namespacegmx.xhtml#a87c9d4293fe70eb69a90396d4b5379dd', 1, 'gmx']]],\n     ['setauthor_406', ['setAuthor', ['../classgmx_1_1H5md.xhtml#a5eca049688ba0cc7e2bc4897f0e399bd', 1, 'gmx::H5md']]],\n     ['setaveragedatasets_407', ['setAverageDataSets', ['../classgmx_1_1AnalysisDataAverageModule.xhtml#adc61ba269b01d93120060e48fc023ff1', 1, 'gmx::AnalysisDataAverageModule']]],\n     ['setbinwidth_408', ['setBinWidth', ['../classgmx_1_1ComputeDebyeScattering.xhtml#aa568dd95930b2b962e024245211dcb2d', 1, 'gmx::ComputeDebyeScattering']]],\n     ['setbothtime_2ecpp_409', ['setbothtime.cpp', ['../setbothtime_8cpp.xhtml', 1, '']]],\n     ['setbothtimetest_410', ['SetBothTimeTest', ['../classgmx_1_1test_1_1SetBothTimeTest.xhtml', 1, 'gmx::test']]],\n     ['setbound_411', ['setBound', ['../classWorkDivision.xhtml#a12b91800bf19728fc05be324c7ffea0e', 1, 'WorkDivision']]],\n-    ['setbox_412', ['setbox', ['../classgmx_1_1SetBox.xhtml#a01c71c64b0378c966ba4f5e0d13330ff', 1, 'gmx::SetBox::SetBox()'],\n-        ['../classgmx_1_1SetBox.xhtml', 1, 'gmx::SetBox'],\n-        ['../classgmx_1_1SetBox.xhtml#adbcab8f895beb3b0e5c68d863d3af126', 1, 'gmx::SetBox::SetBox()']\n+    ['setbox_412', ['setbox', ['../classgmx_1_1SetBox.xhtml', 1, 'gmx::SetBox'],\n+        ['../classgmx_1_1SetBox.xhtml#adbcab8f895beb3b0e5c68d863d3af126', 1, 'gmx::SetBox::SetBox(const matrix box)'],\n+        ['../classgmx_1_1SetBox.xhtml#a01c71c64b0378c966ba4f5e0d13330ff', 1, 'gmx::SetBox::SetBox(SetBox &amp;&amp;old) noexcept']\n     ]],\n     ['setbox_2eh_413', ['setbox.h', ['../setbox_8h.xhtml', 1, '']]],\n     ['setboxdeformationflowmatrix_414', ['setBoxDeformationFlowMatrix', ['../namespacegmx.xhtml#ae3d1f9a9e87d6719c47db93113724135', 1, 'gmx']]],\n     ['setboxdeformationrate_415', ['setBoxDeformationRate', ['../pbc_8cpp.xhtml#a6d40eaad92c0f593734446b2b457bb62', 1, 'pbc.cpp']]],\n     ['setboxpointer_416', ['SetBoxPointer', ['../namespacegmx.xhtml#a021da0b3e5cf2f954fa5cc64178f442c', 1, 'gmx']]],\n     ['setbreak_417', ['setBreak', ['../classgmx_1_1analysismodules_1_1anonymous__namespace_02dssp_8cpp_03_1_1SecondaryStructuresData.xhtml#aaba4dce8e835eaf0acf9017de3bedcb4', 1, 'gmx::analysismodules::anonymous_namespace{dssp.cpp}::SecondaryStructuresData']]],\n     ['setbridge_418', ['setBridge', ['../classgmx_1_1analysismodules_1_1anonymous__namespace_02dssp_8cpp_03_1_1SecondaryStructuresData.xhtml#aba09829bded4d155760fde46569e835b', 1, 'gmx::analysismodules::anonymous_namespace{dssp.cpp}::SecondaryStructuresData']]],\n@@ -671,17 +671,17 @@\n     ['setcreatorprogramname_437', ['setCreatorProgramName', ['../classgmx_1_1H5md.xhtml#ae0b20c40fd033f842c9cc6c2a5f570b2', 1, 'gmx::H5md']]],\n     ['setcreatorprogramversion_438', ['setCreatorProgramVersion', ['../classgmx_1_1H5md.xhtml#ade8530be7f148fce47c596353c04b4cc', 1, 'gmx::H5md']]],\n     ['setcrossbondangles_439', ['setCrossBondAngles', ['../structgmx_1_1test_1_1anonymous__namespace_02bonded_8cpp_03_1_1iListInput.xhtml#ae7edd1fa72ad07bbc4de064fb94cd808', 1, 'gmx::test::anonymous_namespace{bonded.cpp}::iListInput']]],\n     ['setcrossbondbonds_440', ['setCrossBondBonds', ['../structgmx_1_1test_1_1anonymous__namespace_02bonded_8cpp_03_1_1iListInput.xhtml#a296e213ff5adb68c4bcc5de7e8bf3c08', 1, 'gmx::test::anonymous_namespace{bonded.cpp}::iListInput']]],\n     ['setcubic_441', ['setCubic', ['../structgmx_1_1test_1_1anonymous__namespace_02bonded_8cpp_03_1_1iListInput.xhtml#a3f4dbd1118edb2873547597ca93da650', 1, 'gmx::test::anonymous_namespace{bonded.cpp}::iListInput']]],\n     ['setcumulative_442', ['setCumulative', ['../classgmx_1_1AnalysisDataLifetimeModule.xhtml#addfd374874e2e43ae00005230df25289', 1, 'gmx::AnalysisDataLifetimeModule']]],\n     ['setcutoff_443', ['setCutoff', ['../classgmx_1_1AnalysisNeighborhood.xhtml#ac7efef66604d09e0c4e127dbed2533ea', 1, 'gmx::AnalysisNeighborhood']]],\n-    ['setdatasetcount_444', ['setdatasetcount', ['../classgmx_1_1AbstractAnalysisData.xhtml#a60c13f7908f1c8af7d0f3f1a23200683', 1, 'gmx::AbstractAnalysisData::setDataSetCount()'],\n-        ['../classgmx_1_1AnalysisData.xhtml#a52581701312f80286fce213167df9bf5', 1, 'gmx::AnalysisData::setDataSetCount()'],\n-        ['../classgmx_1_1AnalysisDataFrameLocalData.xhtml#a8739b70a0bb850ff7c4d3ca3ca361f8c', 1, 'gmx::AnalysisDataFrameLocalData::setDataSetCount()']\n+    ['setdatasetcount_444', ['setdatasetcount', ['../classgmx_1_1AnalysisDataFrameLocalData.xhtml#a8739b70a0bb850ff7c4d3ca3ca361f8c', 1, 'gmx::AnalysisDataFrameLocalData::setDataSetCount()'],\n+        ['../classgmx_1_1AbstractAnalysisData.xhtml#a60c13f7908f1c8af7d0f3f1a23200683', 1, 'gmx::AbstractAnalysisData::setDataSetCount()'],\n+        ['../classgmx_1_1AnalysisData.xhtml#a52581701312f80286fce213167df9bf5', 1, 'gmx::AnalysisData::setDataSetCount()']\n     ]],\n     ['setdatasettolerance_445', ['setDatasetTolerance', ['../classgmx_1_1test_1_1AbstractTrajectoryAnalysisModuleTestFixture.xhtml#a5f03b0934b0704bf367b77b0f4bd1895', 1, 'gmx::test::AbstractTrajectoryAnalysisModuleTestFixture']]],\n     ['setdebuglevel_446', ['setDebugLevel', ['../classgmx_1_1SelectionCollection.xhtml#ac7344df09de3ddade163929d93c7d017', 1, 'gmx::SelectionCollection']]],\n     ['setdefaultnicelevel_447', ['setDefaultNiceLevel', ['../classgmx_1_1CommandLineModuleSettings.xhtml#a22cfcda42b66564a4e9f5db35bc459b9', 1, 'gmx::CommandLineModuleSettings']]],\n     ['setdefaulttolerance_448', ['setdefaulttolerance', ['../classgmx_1_1test_1_1CommandLineTestBase.xhtml#a063ee5537ecfbeea7201ceac119cb8c0', 1, 'gmx::test::CommandLineTestBase::setDefaultTolerance()'],\n         ['../classgmx_1_1test_1_1TestReferenceChecker.xhtml#ad50b745444194c3625a58f2e81937220', 1, 'gmx::test::TestReferenceChecker::setDefaultTolerance()']\n     ]],\n@@ -709,16 +709,16 @@\n     ['setevaluatevelocities_466', ['setevaluatevelocities', ['../classgmx_1_1Selection.xhtml#aa7007210627e2b003a1ee0d54c02908a', 1, 'gmx::Selection::setEvaluateVelocities()'],\n         ['../classgmx_1_1SelectionOptionInfo.xhtml#a417b3ff0f560b208752f4f4641cb0847', 1, 'gmx::SelectionOptionInfo::setEvaluateVelocities()']\n     ]],\n     ['setexpecteddisplayname_467', ['setExpectedDisplayName', ['../classgmx_1_1test_1_1MockModule.xhtml#a12f7d0f86badd9571d8db185a5df2a30', 1, 'gmx::test::MockModule']]],\n     ['setfeaturefrombit_468', ['setFeatureFromBit', ['../namespacegmx_1_1anonymous__namespace_02cpuinfo_8cpp_03.xhtml#a7f74228670a6b37eb982e7ee0b40e414', 1, 'gmx::anonymous_namespace{cpuinfo.cpp}']]],\n     ['setfene_469', ['setFene', ['../structgmx_1_1test_1_1anonymous__namespace_02bonded_8cpp_03_1_1iListInput.xhtml#a5076d8f3b5542394d4608836271a868f', 1, 'gmx::test::anonymous_namespace{bonded.cpp}::iListInput']]],\n     ['setfileandlinenumber_470', ['setFileAndLineNumber', ['../classWarningHandler.xhtml#a0358e88dfdc488a77e1aa07b7a34f9d9', 1, 'WarningHandler']]],\n-    ['setfilename_471', ['setfilename', ['../classgmx_1_1AbstractPlotModule.xhtml#abd162f52c70245a3c00d4d52541110d6', 1, 'gmx::AbstractPlotModule::setFileName()'],\n-        ['../classgmx_1_1analysismodules_1_1anonymous__namespace_02select_8cpp_03_1_1IndexFileWriterModule.xhtml#afb74ebb68f6dc4362ef767f2eaa2d397', 1, 'gmx::analysismodules::anonymous_namespace{select.cpp}::IndexFileWriterModule::setFileName()']\n+    ['setfilename_471', ['setfilename', ['../classgmx_1_1analysismodules_1_1anonymous__namespace_02select_8cpp_03_1_1IndexFileWriterModule.xhtml#afb74ebb68f6dc4362ef767f2eaa2d397', 1, 'gmx::analysismodules::anonymous_namespace{select.cpp}::IndexFileWriterModule::setFileName()'],\n+        ['../classgmx_1_1AbstractPlotModule.xhtml#abd162f52c70245a3c00d4d52541110d6', 1, 'gmx::AbstractPlotModule::setFileName()']\n     ]],\n     ['setfirstcolumnindent_472', ['setFirstColumnIndent', ['../classgmx_1_1TextTableFormatter.xhtml#a150a8f9bbf9b401f968d28b3c9e89035', 1, 'gmx::TextTableFormatter']]],\n     ['setfirstlineindent_473', ['setFirstLineIndent', ['../classgmx_1_1TextLineWrapperSettings.xhtml#a64e14d27ca8e15e1e17c083158ac6280', 1, 'gmx::TextLineWrapperSettings']]],\n     ['setfitgroupindices_474', ['setFitGroupIndices', ['../classgmx_1_1DensityFittingOptions.xhtml#abf6003e2cb73b38bd2f1e56b3687105a', 1, 'gmx::DensityFittingOptions']]],\n     ['setflag_475', ['setflag', ['../classgmx_1_1AbstractOption.xhtml#ae549635f8cb62f9db063484c9612d8f7', 1, 'gmx::AbstractOption::setFlag()'],\n         ['../classgmx_1_1AbstractOptionStorage.xhtml#afc92ddb8a068df8a4964377fc3aad290', 1, 'gmx::AbstractOptionStorage::setFlag()'],\n         ['../classgmx_1_1AbstractOption.xhtml#aa54e17953a492b8f2d54f90425842dda', 1, 'gmx::AbstractOption::setFlag()'],\n@@ -981,37 +981,37 @@\n     ]],\n     ['settimestep_2ecpp_629', ['settimestep.cpp', ['../tests_2settimestep_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../outputadapters_2settimestep_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['settimestep_2eh_630', ['settimestep.h', ['../settimestep_8h.xhtml', 1, '']]],\n     ['settimesteppointer_631', ['SetTimeStepPointer', ['../namespacegmx.xhtml#a5d563d919db266cb4cdd3cecedefec5d', 1, 'gmx']]],\n     ['settimesteptest_632', ['SetTimeStepTest', ['../classgmx_1_1test_1_1SetTimeStepTest.xhtml', 1, 'gmx::test']]],\n-    ['settimeunit_633', ['settimeunit', ['../classgmx_1_1TimeUnitBehavior.xhtml#a393890269cb7a4cc6dc8bb97682f704d', 1, 'gmx::TimeUnitBehavior::setTimeUnit()'],\n+    ['settimeunit_633', ['settimeunit', ['../classgmx_1_1AnalysisDataPlotSettings.xhtml#ab3900746c3f558d239ee57403559500c', 1, 'gmx::AnalysisDataPlotSettings::setTimeUnit()'],\n         ['../classgmx_1_1TimeUnitManager.xhtml#ad39df799df8c1dcbf6b0006f247aa11f', 1, 'gmx::TimeUnitManager::setTimeUnit()'],\n-        ['../classgmx_1_1AnalysisDataPlotSettings.xhtml#ab3900746c3f558d239ee57403559500c', 1, 'gmx::AnalysisDataPlotSettings::setTimeUnit()']\n+        ['../classgmx_1_1TimeUnitBehavior.xhtml#a393890269cb7a4cc6dc8bb97682f704d', 1, 'gmx::TimeUnitBehavior::setTimeUnit(TimeUnit unit)']\n     ]],\n     ['settimeunitfromenvironment_634', ['setTimeUnitFromEnvironment', ['../classgmx_1_1TimeUnitBehavior.xhtml#a7bd052c00be067beea3063435aea20db', 1, 'gmx::TimeUnitBehavior']]],\n     ['settimeunitstore_635', ['setTimeUnitStore', ['../classgmx_1_1TimeUnitBehavior.xhtml#a032e33fbf24276352fb9b64ae5f91819', 1, 'gmx::TimeUnitBehavior']]],\n-    ['settings_636', ['settings', ['../classgmx_1_1TextLineWrapper.xhtml#acfebeecce32fc98e39ca40d97969a0bf', 1, 'gmx::TextLineWrapper::settings()'],\n+    ['settings_636', ['settings', ['../structPmeGpu.xhtml#a7c8b55d63a1ecb7f87328e9ca45043bf', 1, 'PmeGpu::settings'],\n+        ['../classgmx_1_1TextLineWrapper.xhtml#acfebeecce32fc98e39ca40d97969a0bf', 1, 'gmx::TextLineWrapper::settings()'],\n         ['../classgmx_1_1AnalysisDataBinAverageModule.xhtml#acef8ba58c9f8792821ab926613064c28', 1, 'gmx::AnalysisDataBinAverageModule::settings()'],\n-        ['../structPmeGpu.xhtml#a7c8b55d63a1ecb7f87328e9ca45043bf', 1, 'PmeGpu::settings'],\n-        ['../classgmx_1_1anonymous__namespace_02helpwritercontext_8cpp_03_1_1IWrapper.xhtml#a02aabaabc57e1ddeb2ade908afd27a56', 1, 'gmx::anonymous_namespace{helpwritercontext.cpp}::IWrapper::settings()'],\n-        ['../classgmx_1_1anonymous__namespace_02helpwritercontext_8cpp_03_1_1WrapperToString.xhtml#aff21af728c34749d579041620e0243bd', 1, 'gmx::anonymous_namespace{helpwritercontext.cpp}::WrapperToString::settings()'],\n-        ['../classgmx_1_1anonymous__namespace_02helpwritercontext_8cpp_03_1_1WrapperToVector.xhtml#a92a80c952a145d56d9c7510769545b9d', 1, 'gmx::anonymous_namespace{helpwritercontext.cpp}::WrapperToVector::settings()'],\n-        ['../classgmx_1_1AbstractAverageHistogram.xhtml#a22a6d252253872975ab3ff9880707829', 1, 'gmx::AbstractAverageHistogram::settings()'],\n+        ['../classgmx_1_1AnalysisDataWeightedHistogramModule.xhtml#aeb49b8f5f5882936cdd6dfb32380a198', 1, 'gmx::AnalysisDataWeightedHistogramModule::settings()'],\n         ['../classgmx_1_1AnalysisDataSimpleHistogramModule.xhtml#a41f97b18a372d23968d487d60fd02fcf', 1, 'gmx::AnalysisDataSimpleHistogramModule::settings()'],\n-        ['../classgmx_1_1AnalysisDataWeightedHistogramModule.xhtml#aeb49b8f5f5882936cdd6dfb32380a198', 1, 'gmx::AnalysisDataWeightedHistogramModule::settings()']\n+        ['../classgmx_1_1AbstractAverageHistogram.xhtml#a22a6d252253872975ab3ff9880707829', 1, 'gmx::AbstractAverageHistogram::settings()'],\n+        ['../classgmx_1_1anonymous__namespace_02helpwritercontext_8cpp_03_1_1WrapperToVector.xhtml#a92a80c952a145d56d9c7510769545b9d', 1, 'gmx::anonymous_namespace{helpwritercontext.cpp}::WrapperToVector::settings()'],\n+        ['../classgmx_1_1anonymous__namespace_02helpwritercontext_8cpp_03_1_1WrapperToString.xhtml#aff21af728c34749d579041620e0243bd', 1, 'gmx::anonymous_namespace{helpwritercontext.cpp}::WrapperToString::settings()'],\n+        ['../classgmx_1_1anonymous__namespace_02helpwritercontext_8cpp_03_1_1IWrapper.xhtml#a02aabaabc57e1ddeb2ade908afd27a56', 1, 'gmx::anonymous_namespace{helpwritercontext.cpp}::IWrapper::settings()']\n     ]],\n     ['settings_5f_637', ['settings_', ['../classgmx_1_1internal_1_1BasicHistogramImpl.xhtml#a54026d5b9aeaa1cd702a34756a4c1ce9', 1, 'gmx::internal::BasicHistogramImpl']]],\n     ['settitle_638', ['settitle', ['../classgmx_1_1AbstractPlotModule.xhtml#a942f8789698391ed24e252a950a1fa13', 1, 'gmx::AbstractPlotModule::setTitle(const char *title)'],\n         ['../classgmx_1_1AbstractPlotModule.xhtml#ad8e6594e8a2a8864595cd2eacfd8840b', 1, 'gmx::AbstractPlotModule::setTitle(const std::string &amp;title)']\n     ]],\n     ['settle_639', ['settle', ['../uniont__iparams.xhtml#a86fbf82763d3920959319b5ad05e1043', 1, 't_iparams']]],\n-    ['settle_2ecpp_640', ['settle.cpp', ['../tests_2settle_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../settle_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['settle_2ecpp_640', ['settle.cpp', ['../settle_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2settle_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['settle_2eh_641', ['settle.h', ['../settle_8h.xhtml', 1, '']]],\n     ['settle_5fgpu_2ecpp_642', ['settle_gpu.cpp', ['../settle__gpu_8cpp.xhtml', 1, '']]],\n     ['settle_5fgpu_2eh_643', ['settle_gpu.h', ['../settle__gpu_8h.xhtml', 1, '']]],\n     ['settle_5fgpu_5finternal_2eh_644', ['settle_gpu_internal.h', ['../settle__gpu__internal_8h.xhtml', 1, '']]],\n     ['settle_5fgpu_5finternal_5fsycl_2ecpp_645', ['settle_gpu_internal_sycl.cpp', ['../settle__gpu__internal__sycl_8cpp.xhtml', 1, '']]],\n     ['settle_5fproj_646', ['settle_proj', ['../namespacegmx.xhtml#a09c8c8b32e854edef0cc12bb5c87b9f1', 1, 'gmx']]],\n@@ -1219,20 +1219,20 @@\n     ]],\n     ['shiftindex_769', ['shiftIndex', ['../structt__nblist_1_1IEntry.xhtml#a7b305705092944e43fd27993e784df6d', 1, 't_nblist::IEntry']]],\n     ['shiftindextoxdim_770', ['shiftIndexToXDim', ['../namespacegmx.xhtml#a0040ac9986fb3284dbc61fdb52125c00', 1, 'gmx']]],\n     ['shiftmultipledomains_771', ['shiftMultipleDomains', ['../classgmx_1_1DomainCommBackward.xhtml#abba53d12214732e0ef7ec63ec99bf5d5', 1, 'gmx::DomainCommBackward']]],\n     ['shiftvec_772', ['shiftVec', ['../structgmx_1_1NBAtomDataGpu.xhtml#a184771b52c1f72259348b14fce157998', 1, 'gmx::NBAtomDataGpu']]],\n     ['shiftvecuploaded_773', ['shiftVecUploaded', ['../structgmx_1_1NBAtomDataGpu.xhtml#aadde322dc817f4bf5a1ce040b0dffb87', 1, 'gmx::NBAtomDataGpu']]],\n     ['short_20range_20non_20bonded_20interaction_20module_774', ['Short-range non-bonded interaction module', ['../group______module__nbnxm.xhtml', 1, '']]],\n-    ['shortdescription_775', ['shortdescription', ['../classgmx_1_1test_1_1MockModule.xhtml#a524bc12130c3d4556c40bbdd959e19cc', 1, 'gmx::test::MockModule::shortDescription()'],\n-        ['../classgmx_1_1ICommandLineModule.xhtml#aae4edf891d789a6d24701207074d2bc2', 1, 'gmx::ICommandLineModule::shortDescription()'],\n-        ['../classgmx_1_1ConvertTprInfo.xhtml#af6535e3438bad3f7568a930e1688b273', 1, 'gmx::ConvertTprInfo::shortDescription'],\n+    ['shortdescription_775', ['shortdescription', ['../classgmx_1_1ConvertTprInfo.xhtml#af6535e3438bad3f7568a930e1688b273', 1, 'gmx::ConvertTprInfo::shortDescription'],\n+        ['../classgmx_1_1anonymous__namespace_02cmdlinemodulemanager_8cpp_03_1_1CMainCommandLineModule.xhtml#a9febf5b09cc0e747ca7a7eaa43a0ce5c', 1, 'gmx::anonymous_namespace{cmdlinemodulemanager.cpp}::CMainCommandLineModule::shortDescription()'],\n         ['../classgmx_1_1NonbondedBenchmarkInfo.xhtml#af53c9db85517ae7897a49e34f32bb23b', 1, 'gmx::NonbondedBenchmarkInfo::shortDescription'],\n+        ['../classgmx_1_1test_1_1MockModule.xhtml#a524bc12130c3d4556c40bbdd959e19cc', 1, 'gmx::test::MockModule::shortDescription()'],\n+        ['../classgmx_1_1ICommandLineModule.xhtml#aae4edf891d789a6d24701207074d2bc2', 1, 'gmx::ICommandLineModule::shortDescription()'],\n         ['../classgmx_1_1CommandLineHelpModule.xhtml#a0364e8b334f08f70c60012830c866d2b', 1, 'gmx::CommandLineHelpModule::shortDescription()'],\n-        ['../classgmx_1_1anonymous__namespace_02cmdlinemodulemanager_8cpp_03_1_1CMainCommandLineModule.xhtml#a9febf5b09cc0e747ca7a7eaa43a0ce5c', 1, 'gmx::anonymous_namespace{cmdlinemodulemanager.cpp}::CMainCommandLineModule::shortDescription()'],\n         ['../classanonymous__namespace_02legacymodules_8cpp_03_1_1ObsoleteToolModule.xhtml#a607d95852f28491e0f1bf24d333d33ac', 1, 'anonymous_namespace{legacymodules.cpp}::ObsoleteToolModule::shortDescription()']\n     ]],\n     ['should_20use_20in_20practice_776', ['The subset you should use in practice', ['../page_simd.xhtml#autotoc_md63', 1, '']]],\n     ['should_5fmerge_777', ['should_merge', ['../poscalc_8cpp.xhtml#adb897f64df8059b6217d230c89a0cdf8', 1, 'poscalc.cpp']]],\n     ['shouldbackup_778', ['shouldBackup', ['../classgmx_1_1CommandLineCommonOptionsHolder.xhtml#aae46d784b9e9facdb58bd44aec2500b8', 1, 'gmx::CommandLineCommonOptionsHolder']]],\n     ['shouldbequiet_779', ['shouldBeQuiet', ['../classgmx_1_1CommandLineCommonOptionsHolder.xhtml#acaf8fd70a59ed9e827620495f95beb40', 1, 'gmx::CommandLineCommonOptionsHolder']]],\n     ['shouldcontinuecomparing_780', ['shouldContinueComparing', ['../classgmx_1_1test_1_1anonymous__namespace_02exactcontinuation_8cpp_03_1_1ContinuationFramePairManager.xhtml#a7b8a5e92dfcdfe55a058ffcbf4383141', 1, 'gmx::test::anonymous_namespace{exactcontinuation.cpp}::ContinuationFramePairManager']]],\n@@ -1243,30 +1243,30 @@\n     ['shouldignoreactualmodule_783', ['shouldIgnoreActualModule', ['../classgmx_1_1CommandLineCommonOptionsHolder.xhtml#accab4527c9c43bed058c69f6aa39515e', 1, 'gmx::CommandLineCommonOptionsHolder']]],\n     ['shouldnotifyimmediately_784', ['shouldNotifyImmediately', ['../classgmx_1_1internal_1_1AnalysisDataStorageImpl.xhtml#a460c8523ba9d64a48fd9fc18d1f61a49', 1, 'gmx::internal::AnalysisDataStorageImpl']]],\n     ['shouldshowhelp_785', ['shouldShowHelp', ['../classgmx_1_1CommandLineCommonOptionsHolder.xhtml#a85a35f6c87b8f55301c1e93da0b3463f', 1, 'gmx::CommandLineCommonOptionsHolder']]],\n     ['shouldshowhidden_786', ['shouldShowHidden', ['../classgmx_1_1CommandLineCommonOptionsHolder.xhtml#ac2f63b398be8cd30de8504c87d4f6683', 1, 'gmx::CommandLineCommonOptionsHolder']]],\n     ['showhidden_787', ['showHidden', ['../classgmx_1_1CommandLineHelpContext.xhtml#a1b5296d1e85db490f341448c0aab2c45', 1, 'gmx::CommandLineHelpContext']]],\n     ['shrinksimplexpointsexceptbest_788', ['shrinkSimplexPointsExceptBest', ['../classgmx_1_1NelderMeadSimplex.xhtml#add8ea70a51f8e679c136a98e0e067b41', 1, 'gmx::NelderMeadSimplex']]],\n     ['sig_789', ['sig', ['../classgmx_1_1SimulationSignal.xhtml#ac2b2a5f8c7a4c388bae77fc1288290c3', 1, 'gmx::SimulationSignal']]],\n-    ['sigma_790', ['sigma', ['../structgmx_1_1analysismodules_1_1anonymous__namespace_02msd_8cpp_03_1_1MsdGroupData.xhtml#adf1f3d4411f310e36cd9cf12a86fe062', 1, 'gmx::analysismodules::anonymous_namespace{msd.cpp}::MsdGroupData::sigma'],\n-        ['../structt__UmbrellaWindow.xhtml#a3e49bfb4ee28733b17ee5da4530797d2', 1, 't_UmbrellaWindow::sigma']\n+    ['sigma_790', ['sigma', ['../structt__UmbrellaWindow.xhtml#a3e49bfb4ee28733b17ee5da4530797d2', 1, 't_UmbrellaWindow::sigma'],\n+        ['../structgmx_1_1analysismodules_1_1anonymous__namespace_02msd_8cpp_03_1_1MsdGroupData.xhtml#adf1f3d4411f310e36cd9cf12a86fe062', 1, 'gmx::analysismodules::anonymous_namespace{msd.cpp}::MsdGroupData::sigma']\n     ]],\n-    ['sigma_5f_791', ['sigma_', ['../classgmx_1_1GaussTransform3D_1_1Impl.xhtml#ab0d50c6fdbdcb94b9c0a7bfa3c0f7666', 1, 'gmx::GaussTransform3D::Impl::sigma_'],\n-        ['../structgmx_1_1anonymous__namespace_02neldermead_8cpp_03_1_1NelderMeadParameters.xhtml#ae7d41103125700257eaae651d2da9e78', 1, 'gmx::anonymous_namespace{neldermead.cpp}::NelderMeadParameters::sigma_'],\n+    ['sigma_5f_791', ['sigma_', ['../classgmx_1_1DensityFittingForce_1_1Impl.xhtml#abc31d2b29be8bfc147542841e17fefbb', 1, 'gmx::DensityFittingForce::Impl::sigma_'],\n+        ['../classgmx_1_1GaussTransform3D_1_1Impl.xhtml#ab0d50c6fdbdcb94b9c0a7bfa3c0f7666', 1, 'gmx::GaussTransform3D::Impl::sigma_'],\n         ['../structgmx_1_1GaussianSpreadKernelParameters_1_1Shape.xhtml#ae1344660b67767f2645178a84fe29ac7', 1, 'gmx::GaussianSpreadKernelParameters::Shape::sigma_'],\n-        ['../classgmx_1_1DensityFittingForce_1_1Impl.xhtml#abc31d2b29be8bfc147542841e17fefbb', 1, 'gmx::DensityFittingForce::Impl::sigma_']\n+        ['../structgmx_1_1anonymous__namespace_02neldermead_8cpp_03_1_1NelderMeadParameters.xhtml#ae7d41103125700257eaae651d2da9e78', 1, 'gmx::anonymous_namespace{neldermead.cpp}::NelderMeadParameters::sigma_']\n     ]],\n     ['sigmah_792', ['sigmaH', ['../namespacegmx_1_1test_1_1anonymous__namespace_02testsystem_8cpp_03.xhtml#a13d87d7231f700993326f136199610e0', 1, 'gmx::test::anonymous_namespace{testsystem.cpp}']]],\n     ['sigmao_793', ['sigmaO', ['../namespacegmx_1_1test_1_1anonymous__namespace_02testsystem_8cpp_03.xhtml#ac8bae4d3c92d139e5bb15b70002d7cc9', 1, 'gmx::test::anonymous_namespace{testsystem.cpp}']]],\n-    ['signal_794', ['signal', ['../classgmx_1_1TrajectorySignaller.xhtml#a0f409da6d78ba6e84603ea3461972fdd', 1, 'gmx::TrajectorySignaller::signal()'],\n-        ['../group__module__modularsimulator.xhtml#gad7b381eec03a5ce4c110475c4d722fa1', 1, 'gmx::ISignaller::signal()'],\n-        ['../classgmx_1_1EnergySignaller.xhtml#a22d8678a2fbb90b777955452562ce57e', 1, 'gmx::EnergySignaller::signal()'],\n-        ['../classgmx_1_1LoggingSignaller.xhtml#af84dd04e1f70040fb35e7924ff38683e', 1, 'gmx::LoggingSignaller::signal()'],\n+    ['signal_794', ['signal', ['../group__module__modularsimulator.xhtml#gad7b381eec03a5ce4c110475c4d722fa1', 1, 'gmx::ISignaller::signal()'],\n+        ['../classgmx_1_1NeighborSearchSignaller.xhtml#a7edfb87a360726e4bfbcc5faf0125c16', 1, 'gmx::NeighborSearchSignaller::signal()'],\n         ['../classgmx_1_1LastStepSignaller.xhtml#ad6d2d54ef1fbb9439afb3f540b528a90', 1, 'gmx::LastStepSignaller::signal()'],\n-        ['../classgmx_1_1NeighborSearchSignaller.xhtml#a7edfb87a360726e4bfbcc5faf0125c16', 1, 'gmx::NeighborSearchSignaller::signal()']\n+        ['../classgmx_1_1LoggingSignaller.xhtml#af84dd04e1f70040fb35e7924ff38683e', 1, 'gmx::LoggingSignaller::signal()'],\n+        ['../classgmx_1_1TrajectorySignaller.xhtml#a0f409da6d78ba6e84603ea3461972fdd', 1, 'gmx::TrajectorySignaller::signal()'],\n+        ['../classgmx_1_1EnergySignaller.xhtml#a22d8678a2fbb90b777955452562ce57e', 1, 'gmx::EnergySignaller::signal()']\n     ]],\n     ['signalintersim_795', ['signalInterSim', ['../classgmx_1_1SimulationSignaller.xhtml#a8072d5a64fa7fc9547b110bc3c1ebd0f', 1, 'gmx::SimulationSignaller']]],\n     ['signaller_20and_20element_20details_796', ['Signaller and element details', ['../page_modularsimulator.xhtml#autotoc_md20', 1, '']]],\n     ['signallerbuilder_797', ['SignallerBuilder', ['../classgmx_1_1SignallerBuilder.xhtml', 1, 'gmx']]],\n     ['signallerbuilder_3c_20energysignaller_20_3e_798', ['SignallerBuilder&lt; EnergySignaller &gt;', ['../classgmx_1_1EnergySignaller.xhtml#afb979459db2487c5003e22e8354735d7', 1, 'gmx::EnergySignaller']]],\n     ['signallerbuilder_3c_20gmx_3a_3aenergysignaller_20_3e_799', ['SignallerBuilder&lt; gmx::EnergySignaller &gt;', ['../classgmx_1_1SignallerBuilder.xhtml', 1, 'gmx']]],\n     ['signallerbuilder_3c_20gmx_3a_3alaststepsignaller_20_3e_800', ['SignallerBuilder&lt; gmx::LastStepSignaller &gt;', ['../classgmx_1_1SignallerBuilder.xhtml', 1, 'gmx']]],\n@@ -1295,16 +1295,16 @@\n     ['simd_20coding_821', ['Single-instruction Multiple-data (SIMD) coding', ['../page_simd.xhtml', 1, 'index']]],\n     ['simd_20datatypes_822', ['SIMD datatypes', ['../page_simd.xhtml#autotoc_md59', 1, '']]],\n     ['simd_20instructions_823', ['Coding with SIMD instructions', ['../page_simd.xhtml#autotoc_md56', 1, '']]],\n     ['simd_20intrinsics_20interface_20simd_824', ['SIMD intrinsics interface (simd)', ['../group__module__simd.xhtml', 1, '']]],\n     ['simd_20math_20library_825', ['The SIMD math library', ['../page_simd.xhtml#autotoc_md70', 1, '']]],\n     ['simd_20module_826', ['Design of the GROMACS SIMD module', ['../page_simd.xhtml#autotoc_md57', 1, '']]],\n     ['simd_20preprocessor_20macros_827', ['Predefined SIMD preprocessor macros', ['../page_simd.xhtml#autotoc_md66', 1, '']]],\n-    ['simd_2eh_828', ['simd.h', ['../tests_2simd_8h.xhtml', 1, '(Global Namespace)'],\n-        ['../include_2gromacs_2simd_2simd_8h.xhtml', 1, '(Global Namespace)']\n+    ['simd_2eh_828', ['simd.h', ['../include_2gromacs_2simd_2simd_8h.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2simd_8h.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['simd4_20implementation_829', ['SIMD4 implementation', ['../page_simd.xhtml#autotoc_md64', 1, '']]],\n     ['simd4_2eh_830', ['simd4.h', ['../simd4_8h.xhtml', 1, '']]],\n     ['simd4bool_831', ['Simd4Bool', ['../namespacegmx.xhtml#acb6a84be080be397c2c09cda9f315037', 1, 'gmx']]],\n     ['simd4dbool_832', ['simd4dbool', ['../classgmx_1_1Simd4DBool.xhtml#a428de6b27a42a06dd0fd632660b3ae9d', 1, 'gmx::Simd4DBool::Simd4DBool()'],\n         ['../classgmx_1_1Simd4DBool.xhtml', 1, 'gmx::Simd4DBool']\n     ]],\n@@ -1327,17 +1327,17 @@\n     ['simd_5fmath_2eh_843', ['simd_math.h', ['../simd__math_8h.xhtml', 1, '']]],\n     ['simd_5fmemory_2ecpp_844', ['simd_memory.cpp', ['../simd__memory_8cpp.xhtml', 1, '']]],\n     ['simd_5fmemory_2eh_845', ['simd_memory.h', ['../simd__memory_8h.xhtml', 1, '']]],\n     ['simd_5fprune_5fkernel_2eh_846', ['simd_prune_kernel.h', ['../simd__prune__kernel_8h.xhtml', 1, '']]],\n     ['simd_5fsupport_2ecpp_847', ['simd_support.cpp', ['../simd__support_8cpp.xhtml', 1, '']]],\n     ['simd_5fsupport_2eh_848', ['simd_support.h', ['../simd__support_8h.xhtml', 1, '']]],\n     ['simd_5fwidth_849', ['simd_width', ['../namespacegmx.xhtml#ad2defc5df98b53733b2d299c76788b05', 1, 'gmx']]],\n-    ['simdarrayref_850', ['simdarrayref', ['../classgmx_1_1internal_1_1SimdArrayRef.xhtml#a5204b9593b3a9c201efeb784171c7579', 1, 'gmx::internal::SimdArrayRef::SimdArrayRef(pointer begin, pointer end)'],\n-        ['../classgmx_1_1internal_1_1SimdArrayRef.xhtml#aefbfd15fc7041c25560e8977755f7ae1', 1, 'gmx::internal::SimdArrayRef::SimdArrayRef(U &amp;&amp;o)'],\n-        ['../classgmx_1_1internal_1_1SimdArrayRef.xhtml', 1, 'gmx::internal::SimdArrayRef&lt; T &gt;']\n+    ['simdarrayref_850', ['simdarrayref', ['../classgmx_1_1internal_1_1SimdArrayRef.xhtml', 1, 'gmx::internal::SimdArrayRef&lt; T &gt;'],\n+        ['../classgmx_1_1internal_1_1SimdArrayRef.xhtml#a5204b9593b3a9c201efeb784171c7579', 1, 'gmx::internal::SimdArrayRef::SimdArrayRef(pointer begin, pointer end)'],\n+        ['../classgmx_1_1internal_1_1SimdArrayRef.xhtml#aefbfd15fc7041c25560e8977755f7ae1', 1, 'gmx::internal::SimdArrayRef::SimdArrayRef(U &amp;&amp;o)']\n     ]],\n     ['simdbasetest_851', ['simdbasetest', ['../classgmx_1_1test_1_1SimdBaseTest.xhtml#a293b4002e1c6a4e9863c1f50994f694e', 1, 'gmx::test::SimdBaseTest::SimdBaseTest()'],\n         ['../classgmx_1_1test_1_1SimdBaseTest.xhtml', 1, 'gmx::test::SimdBaseTest']\n     ]],\n     ['simdbitmask_852', ['SimdBitMask', ['../namespacegmx.xhtml#afb42c13ecb6e9bac5d3b89e89143257f', 1, 'gmx']]],\n     ['simdbool_853', ['SimdBool', ['../namespacegmx.xhtml#a307172d59a1a7c9ed87bc2cb4df83efa', 1, 'gmx']]],\n     ['simdcheck_854', ['simdCheck', ['../namespacegmx.xhtml#a3dfaae36144016a6b9ef7524dfbbb815', 1, 'gmx']]],\n@@ -1347,23 +1347,23 @@\n     ['simddibool_856', ['simddibool', ['../classgmx_1_1SimdDIBool.xhtml#a9b76cf7d82509f3f7adeac5d7f1b1477', 1, 'gmx::SimdDIBool::SimdDIBool()'],\n         ['../classgmx_1_1SimdDIBool.xhtml', 1, 'gmx::SimdDIBool']\n     ]],\n     ['simddint32_857', ['simddint32', ['../classgmx_1_1SimdDInt32.xhtml#a4107f8bf681a5cfe0abd34bffd5d952b', 1, 'gmx::SimdDInt32::SimdDInt32()'],\n         ['../classgmx_1_1SimdDInt32.xhtml', 1, 'gmx::SimdDInt32']\n     ]],\n     ['simddint32tag_858', ['SimdDInt32Tag', ['../structgmx_1_1SimdDInt32Tag.xhtml', 1, 'gmx']]],\n-    ['simddouble_859', ['simddouble', ['../classgmx_1_1SimdDouble.xhtml', 1, 'gmx::SimdDouble'],\n-        ['../classgmx_1_1SimdDouble.xhtml#a2d9fc8690b953db795e705c3747d3599', 1, 'gmx::SimdDouble::SimdDouble()']\n+    ['simddouble_859', ['simddouble', ['../classgmx_1_1SimdDouble.xhtml#a2d9fc8690b953db795e705c3747d3599', 1, 'gmx::SimdDouble::SimdDouble()'],\n+        ['../classgmx_1_1SimdDouble.xhtml', 1, 'gmx::SimdDouble']\n     ]],\n     ['simddoubletag_860', ['SimdDoubleTag', ['../structgmx_1_1SimdDoubleTag.xhtml', 1, 'gmx']]],\n-    ['simdfbool_861', ['simdfbool', ['../classgmx_1_1SimdFBool.xhtml', 1, 'gmx::SimdFBool'],\n-        ['../classgmx_1_1SimdFBool.xhtml#a223886f07ff39d3874623985e9c4dcfb', 1, 'gmx::SimdFBool::SimdFBool()']\n+    ['simdfbool_861', ['simdfbool', ['../classgmx_1_1SimdFBool.xhtml#a223886f07ff39d3874623985e9c4dcfb', 1, 'gmx::SimdFBool::SimdFBool()'],\n+        ['../classgmx_1_1SimdFBool.xhtml', 1, 'gmx::SimdFBool']\n     ]],\n-    ['simdfibool_862', ['simdfibool', ['../classgmx_1_1SimdFIBool.xhtml', 1, 'gmx::SimdFIBool'],\n-        ['../classgmx_1_1SimdFIBool.xhtml#a88edd353a744b1008ce1f604a231a6fa', 1, 'gmx::SimdFIBool::SimdFIBool()']\n+    ['simdfibool_862', ['simdfibool', ['../classgmx_1_1SimdFIBool.xhtml#a88edd353a744b1008ce1f604a231a6fa', 1, 'gmx::SimdFIBool::SimdFIBool()'],\n+        ['../classgmx_1_1SimdFIBool.xhtml', 1, 'gmx::SimdFIBool']\n     ]],\n     ['simdfint32_863', ['simdfint32', ['../classgmx_1_1SimdFInt32.xhtml#a32a19cb5719199467b676f2afc062b53', 1, 'gmx::SimdFInt32::SimdFInt32()'],\n         ['../classgmx_1_1SimdFInt32.xhtml', 1, 'gmx::SimdFInt32']\n     ]],\n     ['simdfint32tag_864', ['SimdFInt32Tag', ['../structgmx_1_1SimdFInt32Tag.xhtml', 1, 'gmx']]],\n     ['simdfloat_865', ['simdfloat', ['../classgmx_1_1SimdFloat.xhtml#ac87ff86aef4f83bd19c5abaeb36b275c', 1, 'gmx::SimdFloat::SimdFloat()'],\n         ['../classgmx_1_1SimdFloat.xhtml', 1, 'gmx::SimdFloat']\n@@ -1460,16 +1460,16 @@\n         ['../classgmx_1_1test_1_1SimulationRunner.xhtml', 1, 'gmx::test::SimulationRunner']\n     ]],\n     ['simulationrunnermdpsource_913', ['SimulationRunnerMdpSource', ['../namespacegmx_1_1test.xhtml#a5b76a571a22b4c47f7dab283e6674154', 1, 'gmx::test']]],\n     ['simulationsetupnotifier_5f_914', ['simulationSetupNotifier_', ['../structgmx_1_1MDModulesNotifiers.xhtml#aa68ace6af4fd672eb9d4ae40ebbb4d9e', 1, 'gmx::MDModulesNotifiers']]],\n     ['simulationsignal_915', ['simulationsignal', ['../classgmx_1_1SimulationSignal.xhtml#a36d4d0dbe3747f21c0f1762fb4a6b100', 1, 'gmx::SimulationSignal::SimulationSignal()'],\n         ['../classgmx_1_1SimulationSignal.xhtml', 1, 'gmx::SimulationSignal']\n     ]],\n-    ['simulationsignal_2ecpp_916', ['simulationsignal.cpp', ['../tests_2simulationsignal_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../simulationsignal_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['simulationsignal_2ecpp_916', ['simulationsignal.cpp', ['../simulationsignal_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2simulationsignal_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['simulationsignal_2eh_917', ['simulationsignal.h', ['../simulationsignal_8h.xhtml', 1, '']]],\n     ['simulationsignaller_918', ['simulationsignaller', ['../classgmx_1_1SimulationSignaller.xhtml', 1, 'gmx::SimulationSignaller'],\n         ['../classgmx_1_1SimulationSignaller.xhtml#acf0b6f070504a11f2cc8c6ca80124d6d', 1, 'gmx::SimulationSignaller::SimulationSignaller()']\n     ]],\n     ['simulationsignals_919', ['simulationsignals', ['../namespacegmx.xhtml#a2c0facebaa27d417dcf4d032f2a5725a', 1, 'gmx::SimulationSignals'],\n         ['../classgmx_1_1GlobalCommunicationHelper.xhtml#a87c8417f09e55b0ff94dc5d77fcf8f25', 1, 'gmx::GlobalCommunicationHelper::simulationSignals()']\n@@ -1915,19 +1915,19 @@\n     ]],\n     ['statepropagatordata_20tt_1217', ['&lt;tt&gt;StatePropagatorData&lt;/tt&gt;', ['../page_modularsimulator.xhtml#autotoc_md35', 1, '']]],\n     ['statepropagatordata_2ecpp_1218', ['statepropagatordata.cpp', ['../statepropagatordata_8cpp.xhtml', 1, '']]],\n     ['statepropagatordata_2eh_1219', ['statepropagatordata.h', ['../statepropagatordata_8h.xhtml', 1, '']]],\n     ['statepropagatordata_3a_3aelement_20tt_1220', ['&lt;tt&gt;StatePropagatorData::Element&lt;/tt&gt;', ['../page_modularsimulator.xhtml#autotoc_md31', 1, '']]],\n     ['stateread_5f_1221', ['stateRead_', ['../structgmx_1_1ColvarsForceProviderState.xhtml#a1ec8a57f49d9817eb5b634b72609aef7', 1, 'gmx::ColvarsForceProviderState']]],\n     ['static_1222', ['Static', ['../md__enums_8h.xhtml#ab1fce6aba35ca024e1ac818bdf1d5d15a84a8921b25f505d0d2077aeb5db4bc16', 1, 'md_enums.h']]],\n-    ['static_5fextent_1223', ['static_extent', ['../classgmx_1_1extents.xhtml#a50111b7e65a0dd5cff8bb326e6b084e0', 1, 'gmx::extents::static_extent()'],\n-        ['../structgmx_1_1detail_1_1extents__analyse_3_01R_00_01E0_00_01StaticExtents_8_8_8_01_4.xhtml#aea69002007675bb3b64984fad3d6748b', 1, 'gmx::detail::extents_analyse&lt; R, E0, StaticExtents... &gt;::static_extent()'],\n-        ['../structgmx_1_1detail_1_1extents__analyse_3_010_01_4.xhtml#a4f2603dc7c635806f93485cbc441dcd5', 1, 'gmx::detail::extents_analyse&lt; 0 &gt;::static_extent()'],\n+    ['static_5fextent_1223', ['static_extent', ['../structgmx_1_1detail_1_1extents__analyse_3_01R_00_01dynamic__extent_00_01StaticExtents_8_8_8_01_4.xhtml#a55cdb81e2125645a0aeb35fb0c5387fc', 1, 'gmx::detail::extents_analyse&lt; R, dynamic_extent, StaticExtents... &gt;::static_extent()'],\n         ['../classgmx_1_1basic__mdspan.xhtml#aaf7f060e31aa227c06a0bc509420be66', 1, 'gmx::basic_mdspan::static_extent()'],\n-        ['../structgmx_1_1detail_1_1extents__analyse_3_01R_00_01dynamic__extent_00_01StaticExtents_8_8_8_01_4.xhtml#a55cdb81e2125645a0aeb35fb0c5387fc', 1, 'gmx::detail::extents_analyse&lt; R, dynamic_extent, StaticExtents... &gt;::static_extent()']\n+        ['../structgmx_1_1detail_1_1extents__analyse_3_010_01_4.xhtml#a4f2603dc7c635806f93485cbc441dcd5', 1, 'gmx::detail::extents_analyse&lt; 0 &gt;::static_extent()'],\n+        ['../structgmx_1_1detail_1_1extents__analyse_3_01R_00_01E0_00_01StaticExtents_8_8_8_01_4.xhtml#aea69002007675bb3b64984fad3d6748b', 1, 'gmx::detail::extents_analyse&lt; R, E0, StaticExtents... &gt;::static_extent()'],\n+        ['../classgmx_1_1extents.xhtml#a50111b7e65a0dd5cff8bb326e6b084e0', 1, 'gmx::extents::static_extent()']\n     ]],\n     ['staticaveragehistogram_1224', ['staticaveragehistogram', ['../classgmx_1_1anonymous__namespace_02histogram_8cpp_03_1_1StaticAverageHistogram.xhtml#a15f37a8c0d228aadff66df4b4de2207a', 1, 'gmx::anonymous_namespace{histogram.cpp}::StaticAverageHistogram::StaticAverageHistogram()'],\n         ['../classgmx_1_1anonymous__namespace_02histogram_8cpp_03_1_1StaticAverageHistogram.xhtml', 1, 'gmx::anonymous_namespace{histogram.cpp}::StaticAverageHistogram']\n     ]],\n     ['staticdataframeheaderchecker_1225', ['staticdataframeheaderchecker', ['../classgmx_1_1test_1_1anonymous__namespace_02mock__datamodule_8cpp_03_1_1StaticDataFrameHeaderChecker.xhtml', 1, 'gmx::test::anonymous_namespace{mock_datamodule.cpp}::StaticDataFrameHeaderChecker'],\n         ['../classgmx_1_1test_1_1anonymous__namespace_02mock__datamodule_8cpp_03_1_1StaticDataFrameHeaderChecker.xhtml#a63907b6f8f88fba789d0a57a5e5ebd41', 1, 'gmx::test::anonymous_namespace{mock_datamodule.cpp}::StaticDataFrameHeaderChecker::StaticDataFrameHeaderChecker()']\n     ]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_17.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_17.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -368,28 +368,28 @@\n     ['threadedforcebuffer_3c_20rvec4_20_3e_237', ['ThreadedForceBuffer&lt; rvec4 &gt;', ['../classgmx_1_1ThreadedForceBuffer.xhtml', 1, 'gmx']]],\n     ['threadforcebuffer_238', ['threadforcebuffer', ['../classgmx_1_1ThreadForceBuffer.xhtml#aca0ff0d302fd340a22c038f8c2b67ee3', 1, 'gmx::ThreadForceBuffer::ThreadForceBuffer()'],\n         ['../classgmx_1_1ThreadForceBuffer.xhtml', 1, 'gmx::ThreadForceBuffer&lt; ForceBufferElementType &gt;'],\n         ['../classgmx_1_1ThreadedForceBuffer.xhtml#aeae6df3244747db1017c222b74258cbe', 1, 'gmx::ThreadedForceBuffer::threadForceBuffer()']\n     ]],\n     ['threadforcebuffer_3c_20gmx_3a_3abasicvector_20_3e_239', ['ThreadForceBuffer&lt; gmx::BasicVector &gt;', ['../classgmx_1_1ThreadForceBuffer.xhtml', 1, 'gmx']]],\n     ['threadforcebuffer_3c_20rvec4_20_3e_240', ['ThreadForceBuffer&lt; rvec4 &gt;', ['../classgmx_1_1ThreadForceBuffer.xhtml', 1, 'gmx']]],\n-    ['threadinginfo_241', ['threadinginfo', ['../classgmx_1_1ThreadingInfo.xhtml', 1, 'gmx::ThreadingInfo'],\n-        ['../classgmx_1_1ThreadingInfo.xhtml#a4f867dff40e9790d110a5bb58439f630', 1, 'gmx::ThreadingInfo::ThreadingInfo()']\n+    ['threadinginfo_241', ['threadinginfo', ['../classgmx_1_1ThreadingInfo.xhtml#a4f867dff40e9790d110a5bb58439f630', 1, 'gmx::ThreadingInfo::ThreadingInfo()'],\n+        ['../classgmx_1_1ThreadingInfo.xhtml', 1, 'gmx::ThreadingInfo']\n     ]],\n     ['threadmpimdrunneraccessbarrier_242', ['threadMpiMdrunnerAccessBarrier', ['../namespacegmx.xhtml#aef8b79bdbe453658a42421841b67dde7', 1, 'gmx']]],\n     ['threadmpitestrunner_243', ['threadMpiTestRunner', ['../group__module__testutils.xhtml#ga6d3fae9732f12f43acd33c7e3ff009b9', 1, 'gmx::test']]],\n     ['threadsperatom_244', ['threadsperatom', ['../pme__gpu__constants_8h.xhtml#a3906f1a6891bba7e415ad2b7d3c4cef0', 1, 'ThreadsPerAtom:&#160;pme_gpu_constants.h'],\n         ['../structPmeGpuSettings.xhtml#a5e39fbddc82a9b12fa969f4e0f344660', 1, 'PmeGpuSettings::threadsPerAtom']\n     ]],\n     ['threadworkobjects_245', ['threadWorkObjects', ['../classgmx__reverse__top__t.xhtml#a98b8fa58dfc1f1b04cab29658676a3f4', 1, 'gmx_reverse_top_t']]],\n     ['threefry_2ecpp_246', ['threefry.cpp', ['../threefry_8cpp.xhtml', 1, '']]],\n     ['threefry_2eh_247', ['threefry.h', ['../threefry_8h.xhtml', 1, '']]],\n     ['threefry2x64_248', ['threefry2x64', ['../classgmx_1_1ThreeFry2x64.xhtml', 1, 'gmx::ThreeFry2x64&lt; internalCounterBits &gt;'],\n-        ['../classgmx_1_1ThreeFry2x64.xhtml#a5a79d409ea4010111bb67832d4a1badd', 1, 'gmx::ThreeFry2x64::ThreeFry2x64(uint64_t key0, uint64_t key1)'],\n-        ['../classgmx_1_1ThreeFry2x64.xhtml#add624a33176505ea1f48517616405c6c', 1, 'gmx::ThreeFry2x64::ThreeFry2x64(uint64_t key0=0, RandomDomain domain=RandomDomain::Other)']\n+        ['../classgmx_1_1ThreeFry2x64.xhtml#add624a33176505ea1f48517616405c6c', 1, 'gmx::ThreeFry2x64::ThreeFry2x64(uint64_t key0=0, RandomDomain domain=RandomDomain::Other)'],\n+        ['../classgmx_1_1ThreeFry2x64.xhtml#a5a79d409ea4010111bb67832d4a1badd', 1, 'gmx::ThreeFry2x64::ThreeFry2x64(uint64_t key0, uint64_t key1)']\n     ]],\n     ['threefry2x64_3c_2016_20_3e_249', ['ThreeFry2x64&lt; 16 &gt;', ['../classgmx_1_1ThreeFry2x64.xhtml', 1, 'gmx']]],\n     ['threefry2x64fast_250', ['threefry2x64fast', ['../classgmx_1_1ThreeFry2x64Fast.xhtml#a63d848b7b9d7d979487cf570846658f7', 1, 'gmx::ThreeFry2x64Fast::ThreeFry2x64Fast(uint64_t key0=0, RandomDomain domain=RandomDomain::Other)'],\n         ['../classgmx_1_1ThreeFry2x64Fast.xhtml#a3e9704834e1ae8f8b382aa6229f52be7', 1, 'gmx::ThreeFry2x64Fast::ThreeFry2x64Fast(uint64_t key0, uint64_t key1)'],\n         ['../classgmx_1_1ThreeFry2x64Fast.xhtml', 1, 'gmx::ThreeFry2x64Fast&lt; internalCounterBits &gt;']\n     ]],\n     ['threefry2x64general_251', ['threefry2x64general', ['../classgmx_1_1ThreeFry2x64General.xhtml#a1608daa8178161bd983afef6344f227f', 1, 'gmx::ThreeFry2x64General::ThreeFry2x64General(uint64_t key0=0, RandomDomain domain=RandomDomain::Other)'],\n@@ -399,63 +399,63 @@\n     ['threefry2x64general_3c_2013_2c_2064_20_3e_252', ['ThreeFry2x64General&lt; 13, 64 &gt;', ['../classgmx_1_1ThreeFry2x64General.xhtml', 1, 'gmx']]],\n     ['threefry2x64general_3c_2020_2c_2064_20_3e_253', ['ThreeFry2x64General&lt; 20, 64 &gt;', ['../classgmx_1_1ThreeFry2x64General.xhtml', 1, 'gmx']]],\n     ['threefry2x64general_3c_2020_2c_20internalcounterbits_20_3e_254', ['ThreeFry2x64General&lt; 20, internalCounterBits &gt;', ['../classgmx_1_1ThreeFry2x64General.xhtml', 1, 'gmx']]],\n     ['throwbecauseofmissingoutputfiles_255', ['throwBecauseOfMissingOutputFiles', ['../namespacegmx_1_1anonymous__namespace_02handlerestart_8cpp_03.xhtml#ac95056495eb623fbd460c721a64c1fcd', 1, 'gmx::anonymous_namespace{handlerestart.cpp}']]],\n     ['throwerrorifindexoutofbounds_256', ['throwErrorIfIndexOutOfBounds', ['../namespacegmx_1_1anonymous__namespace_02gmx__covar_8cpp_03.xhtml#aa3b34b3a5be563f547b94e8c51d3ec13', 1, 'gmx::anonymous_namespace{gmx_covar.cpp}']]],\n     ['throwifnonemptyandonlywhitespace_257', ['throwIfNonEmptyAndOnlyWhitespace', ['../namespacegmx_1_1test.xhtml#a26d94b8bbe10b3fa39e5c03ef3833b4a', 1, 'gmx::test']]],\n     ['throwifnotfound_258', ['throwIfNotFound', ['../classgmx_1_1DataFileOptions.xhtml#aff308586dddac14dadf6ddf3a1a85bd0', 1, 'gmx::DataFileOptions']]],\n-    ['throwlocation_259', ['throwlocation', ['../structgmx_1_1ThrowLocation.xhtml#aa8ff40747f544ad0419e8d27972d82d0', 1, 'gmx::ThrowLocation::ThrowLocation()'],\n-        ['../structgmx_1_1ThrowLocation.xhtml', 1, 'gmx::ThrowLocation']\n+    ['throwlocation_259', ['throwlocation', ['../structgmx_1_1ThrowLocation.xhtml', 1, 'gmx::ThrowLocation'],\n+        ['../structgmx_1_1ThrowLocation.xhtml#aa8ff40747f544ad0419e8d27972d82d0', 1, 'gmx::ThrowLocation::ThrowLocation()']\n     ]],\n     ['throwunlessderivativeisconsistentwithfunction_260', ['throwunlessderivativeisconsistentwithfunction', ['../namespacegmx_1_1internal.xhtml#a71aba30ffd645096a2944c75870c2adc', 1, 'gmx::internal::throwUnlessDerivativeIsConsistentWithFunction(const std::function&lt; double(double)&gt; &amp;function, const std::function&lt; double(double)&gt; &amp;derivative, const std::pair&lt; real, real &gt; &amp;range)'],\n         ['../namespacegmx_1_1internal.xhtml#a84d04970d8b90387337f316491ed1d73', 1, 'gmx::internal::throwUnlessDerivativeIsConsistentWithFunction(ArrayRef&lt; const double &gt; function, ArrayRef&lt; const double &gt; derivative, double inputSpacing, const std::pair&lt; real, real &gt; &amp;range)']\n     ]],\n     ['throwuponfailure_261', ['throwUponFailure', ['../namespacegmx_1_1anonymous__namespace_02devicetransfers__ocl_8cpp_03.xhtml#a8585858e6acfd82543296fc132f69648', 1, 'gmx::anonymous_namespace{devicetransfers_ocl.cpp}']]],\n     ['tij_262', ['Tij', ['../structdf__history__t.xhtml#a0a8fc4c3313ee87881ca7ae86e2897b4', 1, 'df_history_t']]],\n     ['tij_5fempirical_263', ['Tij_empirical', ['../structdf__history__t.xhtml#a473ff22c2af8cad04a8670e3d1f33f1b', 1, 'df_history_t']]],\n-    ['time_264', ['time', ['../classgmx_1_1EnergyAnalysisFrame.xhtml#afe731f5020c1836e00abd1301f59685c', 1, 'gmx::EnergyAnalysisFrame::time()'],\n-        ['../group__module__modularsimulator.xhtml#ga835b14d2053259a125f4baf542e6c515', 1, 'gmx::Time'],\n-        ['../classgmx_1_1CorrelationGrid.xhtml#a2167d6647ab5a52f9f1000fcec4cf13daa76d4ef5f3f6a672bbfab2865563e530', 1, 'gmx::CorrelationGrid::Time'],\n-        ['../classgmx_1_1TrajectoryFrame.xhtml#a1d0cbc9e958aebfe26f93b85d54825fb', 1, 'gmx::TrajectoryFrame::time()']\n+    ['time_264', ['time', ['../group__module__modularsimulator.xhtml#ga835b14d2053259a125f4baf542e6c515', 1, 'gmx::Time'],\n+        ['../classgmx_1_1TrajectoryFrame.xhtml#a1d0cbc9e958aebfe26f93b85d54825fb', 1, 'gmx::TrajectoryFrame::time()'],\n+        ['../classgmx_1_1EnergyAnalysisFrame.xhtml#afe731f5020c1836e00abd1301f59685c', 1, 'gmx::EnergyAnalysisFrame::time()'],\n+        ['../classgmx_1_1CorrelationGrid.xhtml#a2167d6647ab5a52f9f1000fcec4cf13daa76d4ef5f3f6a672bbfab2865563e530', 1, 'gmx::CorrelationGrid::Time']\n     ]],\n     ['time_5f_265', ['time_', ['../classgmx_1_1test_1_1anonymous__namespace_02energyoutput_8cpp_03_1_1EnergyOutputTest.xhtml#ae2b06e9fc97259c2209887de88947e7c', 1, 'gmx::test::anonymous_namespace{energyoutput.cpp}::EnergyOutputTest']]],\n     ['timeaveraginginitfactor_266', ['timeAveragingInitFactor', ['../structt__oriresdata.xhtml#ab09a3c184b2ad0b6e6e42c71a507a336', 1, 't_oriresdata']]],\n     ['timebegin_267', ['timeBegin', ['../classgmx_1_1EnergyTerm.xhtml#a5f595ce648a601cd0df03f2d4902f23d', 1, 'gmx::EnergyTerm']]],\n     ['timecontrol_2ecpp_268', ['timecontrol.cpp', ['../tests_2timecontrol_8cpp.xhtml', 1, '']]],\n     ['timeend_269', ['timeEnd', ['../classgmx_1_1EnergyTerm.xhtml#af6e29e2d160ae4d901f10f65f8dc3542', 1, 'gmx::EnergyTerm']]],\n     ['timeinterval_270', ['timeInterval', ['../classgmx_1_1EnergyDriftTracker.xhtml#a81594c537b3f94153a918d5e6686ca83', 1, 'gmx::EnergyDriftTracker']]],\n-    ['timeoptionscaler_271', ['timeoptionscaler', ['../classgmx_1_1anonymous__namespace_02timeunitmanager_8cpp_03_1_1TimeOptionScaler.xhtml#a25bf49d070bd4a0c520de6b2be0fc806', 1, 'gmx::anonymous_namespace{timeunitmanager.cpp}::TimeOptionScaler::TimeOptionScaler()'],\n-        ['../classgmx_1_1anonymous__namespace_02timeunitmanager_8cpp_03_1_1TimeOptionScaler.xhtml', 1, 'gmx::anonymous_namespace{timeunitmanager.cpp}::TimeOptionScaler&lt; FloatingPointOptionInfo &gt;']\n+    ['timeoptionscaler_271', ['timeoptionscaler', ['../classgmx_1_1anonymous__namespace_02timeunitmanager_8cpp_03_1_1TimeOptionScaler.xhtml', 1, 'gmx::anonymous_namespace{timeunitmanager.cpp}::TimeOptionScaler&lt; FloatingPointOptionInfo &gt;'],\n+        ['../classgmx_1_1anonymous__namespace_02timeunitmanager_8cpp_03_1_1TimeOptionScaler.xhtml#a25bf49d070bd4a0c520de6b2be0fc806', 1, 'gmx::anonymous_namespace{timeunitmanager.cpp}::TimeOptionScaler::TimeOptionScaler()']\n     ]],\n     ['timeperframeisset_272', ['timePerFrameIsSet', ['../structgmx__tng__trajectory.xhtml#af088af97fed6334da2f6a86bbb593332', 1, 'gmx_tng_trajectory']]],\n     ['timers_273', ['timers', ['../structgmx_1_1NbnxmGpu.xhtml#a53d2110fa92330613bf2a97233dffee5', 1, 'gmx::NbnxmGpu']]],\n     ['timescalefactor_274', ['timeScaleFactor', ['../classgmx_1_1TimeUnitManager.xhtml#ab5c34c0650c9672bbd6a51f85ef774b8', 1, 'gmx::TimeUnitManager']]],\n     ['timesclose_275', ['timesClose', ['../namespacegmx.xhtml#a77fe4c27ecc56cc5e0448842a1218d7c', 1, 'gmx']]],\n     ['timespan_276', ['timeSpan', ['../classgmx_1_1EnergyTerm.xhtml#a6fa21d577f34e76489343b9f15cb0f70', 1, 'gmx::EnergyTerm']]],\n-    ['timestep_277', ['timestep', ['../structgmx_1_1TimeStep.xhtml', 1, 'gmx::TimeStep'],\n-        ['../group__module__modularsimulator.xhtml#ga2f15ba7b08f5e9328be350927770ffe5', 1, 'gmx::TimeStep::TimeStep()'],\n-        ['../structgmx_1_1test_1_1anonymous__namespace_02langevin_8cpp_03_1_1LangevinTestParameters.xhtml#a36e5c1428b87e64084c3f7c92db237d3', 1, 'gmx::test::anonymous_namespace{langevin.cpp}::LangevinTestParameters::timestep'],\n-        ['../structgmx_1_1test_1_1anonymous__namespace_02leapfrog_8cpp_03_1_1LeapFrogTestParameters.xhtml#a96082cd681f7abe75ac413d73f088426', 1, 'gmx::test::anonymous_namespace{leapfrog.cpp}::LeapFrogTestParameters::timestep']\n+    ['timestep_277', ['timestep', ['../structgmx_1_1test_1_1anonymous__namespace_02langevin_8cpp_03_1_1LangevinTestParameters.xhtml#a36e5c1428b87e64084c3f7c92db237d3', 1, 'gmx::test::anonymous_namespace{langevin.cpp}::LangevinTestParameters::timestep'],\n+        ['../structgmx_1_1TimeStep.xhtml', 1, 'gmx::TimeStep'],\n+        ['../structgmx_1_1test_1_1anonymous__namespace_02leapfrog_8cpp_03_1_1LeapFrogTestParameters.xhtml#a96082cd681f7abe75ac413d73f088426', 1, 'gmx::test::anonymous_namespace{leapfrog.cpp}::LeapFrogTestParameters::timestep'],\n+        ['../group__module__modularsimulator.xhtml#ga2f15ba7b08f5e9328be350927770ffe5', 1, 'gmx::TimeStep::TimeStep()']\n     ]],\n     ['timestepvalue_278', ['timeStepValue', ['../structgmx_1_1OutputRequirements.xhtml#aebab1037d0aa6cddf15d548934f89309', 1, 'gmx::OutputRequirements']]],\n     ['timeunit_279', ['timeunit', ['../group__group__publicapi.xhtml#ga72fb720465515c7593a1cde9f00534e7', 1, 'gmx::TimeUnit'],\n         ['../classgmx_1_1TrajectoryAnalysisSettings.xhtml#a6e22d7484f92e59d1a871a6b4881ed04', 1, 'gmx::TrajectoryAnalysisSettings::timeUnit()'],\n         ['../classgmx_1_1TimeUnitBehavior.xhtml#a6fd0a3de212858a93d88e8e091c31495', 1, 'gmx::TimeUnitBehavior::timeUnit()'],\n         ['../classgmx_1_1TimeUnitManager.xhtml#a8ca324ae8e6f263eeff34dfcf2a080c4', 1, 'gmx::TimeUnitManager::timeUnit()'],\n         ['../classgmx_1_1AnalysisDataPlotSettings.xhtml#adfd907fed2ffa9d652bbd280522dc2da', 1, 'gmx::AnalysisDataPlotSettings::timeUnit()'],\n         ['../classgmx_1_1TrajectoryAnalysisSettings_1_1Impl.xhtml#ae309fcdaf33219b938454058745790df', 1, 'gmx::TrajectoryAnalysisSettings::Impl::timeUnit']\n     ]],\n     ['timeunitasstring_280', ['timeUnitAsString', ['../classgmx_1_1TimeUnitManager.xhtml#a4f9fcf6d46d7b2d9d534f083b301c8ae', 1, 'gmx::TimeUnitManager']]],\n     ['timeunitbehavior_281', ['TimeUnitBehavior', ['../classgmx_1_1TimeUnitBehavior.xhtml', 1, 'gmx']]],\n     ['timeunitmanager_282', ['timeunitmanager', ['../classgmx_1_1TimeUnitManager.xhtml', 1, 'gmx::TimeUnitManager'],\n-        ['../classgmx_1_1TimeUnitManager.xhtml#a726dac3a92cf59e002165ba0db37f5d2', 1, 'gmx::TimeUnitManager::TimeUnitManager()'],\n-        ['../classgmx_1_1TimeUnitManager.xhtml#ac1f08cab7f0f68500ffe6cbe94695164', 1, 'gmx::TimeUnitManager::TimeUnitManager(TimeUnit unit)']\n+        ['../classgmx_1_1TimeUnitManager.xhtml#ac1f08cab7f0f68500ffe6cbe94695164', 1, 'gmx::TimeUnitManager::TimeUnitManager(TimeUnit unit)'],\n+        ['../classgmx_1_1TimeUnitManager.xhtml#a726dac3a92cf59e002165ba0db37f5d2', 1, 'gmx::TimeUnitManager::TimeUnitManager()']\n     ]],\n-    ['timeunitmanager_2ecpp_283', ['timeunitmanager.cpp', ['../timeunitmanager_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2timeunitmanager_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['timeunitmanager_2ecpp_283', ['timeunitmanager.cpp', ['../tests_2timeunitmanager_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../timeunitmanager_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['timeunitmanager_2eh_284', ['timeunitmanager.h', ['../timeunitmanager_8h.xhtml', 1, '']]],\n     ['timevalue_285', ['timevalue', ['../classgmx_1_1FloatOption.xhtml#a1e9cd8943aa71dfc4ab26b4465b8f7c3', 1, 'gmx::FloatOption::timeValue()'],\n         ['../classgmx_1_1DoubleOption.xhtml#a430a6a0b3b7752ad235843e7da58b653', 1, 'gmx::DoubleOption::timeValue()']\n     ]],\n     ['timing_286', ['timing', ['../structgmx__wallclock__gpu__pme__t.xhtml#a607e29d4505f8c0bfafdd16acc013695', 1, 'gmx_wallclock_gpu_pme_t']]],\n     ['timing_2ecpp_287', ['timing.cpp', ['../timing_8cpp.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_18.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_18.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -32,19 +32,19 @@\n     ['unionfind_2eh_18', ['unionfind.h', ['../unionfind_8h.xhtml', 1, '']]],\n     ['unionfinder_19', ['UnionFinder', ['../classgmx_1_1UnionFinder.xhtml', 1, 'gmx']]],\n     ['unique_5fcptr_20', ['unique_cptr', ['../namespacegmx.xhtml#a89d1da25b1e1f9331f1fe99b15072eac', 1, 'gmx']]],\n     ['unique_5fcptr_2eh_21', ['unique_cptr.h', ['../unique__cptr_8h.xhtml', 1, '']]],\n     ['uniquedeviceid_22', ['uniquedeviceid', ['../device__management__common_8cpp.xhtml#ab7595ed839026b4d41d8eb72701a80eb', 1, 'uniqueDeviceId(const DeviceInformation &amp;deviceInfo):&#160;device_management_common.cpp'],\n         ['../device__management_8h.xhtml#ab7595ed839026b4d41d8eb72701a80eb', 1, 'uniqueDeviceId(const DeviceInformation &amp;deviceInfo):&#160;device_management_common.cpp']\n     ]],\n-    ['unit_23', ['unit', ['../classgmx_1_1EnergyTerm.xhtml#aef5ad0000c2fbbc74c57f0b5e0ddb409', 1, 'gmx::EnergyTerm::unit()'],\n-        ['../structUmbrellaOptions.xhtml#ae5d2dca38270c084eb3386aa26b9b959', 1, 'UmbrellaOptions::unit']\n+    ['unit_23', ['unit', ['../structUmbrellaOptions.xhtml#ae5d2dca38270c084eb3386aa26b9b959', 1, 'UmbrellaOptions::unit'],\n+        ['../classgmx_1_1EnergyTerm.xhtml#aef5ad0000c2fbbc74c57f0b5e0ddb409', 1, 'gmx::EnergyTerm::unit()']\n     ]],\n-    ['unitcellinfo_24', ['unitcellinfo', ['../structUnitCellInfo.xhtml', 1, 'UnitCellInfo'],\n-        ['../structUnitCellInfo.xhtml#a9d3636ef8212130c876d2cbd16dcc69a', 1, 'UnitCellInfo::UnitCellInfo()']\n+    ['unitcellinfo_24', ['unitcellinfo', ['../structUnitCellInfo.xhtml#a9d3636ef8212130c876d2cbd16dcc69a', 1, 'UnitCellInfo::UnitCellInfo()'],\n+        ['../structUnitCellInfo.xhtml', 1, 'UnitCellInfo']\n     ]],\n     ['unitcelliscompact_25', ['UnitCellIsCompact', ['../group__module__coordinateio.xhtml#ggae520b2721d9d5166e7c015b2654bd1d9ad4d785ddf0c77e7b697efd2b5ec376e1', 1, 'gmx']]],\n     ['unitcellisrectangular_26', ['UnitCellIsRectangular', ['../group__module__coordinateio.xhtml#ggae520b2721d9d5166e7c015b2654bd1d9a8e7bda81ce54b8cf90c3b856c83e7d9f', 1, 'gmx']]],\n     ['unitcellistriclinic_27', ['UnitCellIsTriclinic', ['../group__module__coordinateio.xhtml#ggae520b2721d9d5166e7c015b2654bd1d9a99285c8187fb87e756f127435045dc3f', 1, 'gmx']]],\n     ['unitcelltype_28', ['UnitCellType', ['../namespacegmx.xhtml#af897bff42be729e6eaf3c4dc6e199722', 1, 'gmx']]],\n     ['unitcelltypenames_29', ['unitCellTypeNames', ['../namespacegmx.xhtml#ae81efb97e81499b750d906d26a29ce18', 1, 'gmx']]],\n     ['unittest_5fmain_2ecpp_30', ['unittest_main.cpp', ['../unittest__main_8cpp.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_4.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_4.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -308,16 +308,16 @@\n     ['addsubtopic_191', ['addSubTopic', ['../classgmx_1_1AbstractCompositeHelpTopic.xhtml#affad73510b63efeef76648dc3b01a42c', 1, 'gmx::AbstractCompositeHelpTopic']]],\n     ['addsymbol_192', ['addSymbol', ['../classgmx_1_1SelectionParserSymbolTable_1_1Impl.xhtml#a33be6fa2bc49586d38115cc1207b082b', 1, 'gmx::SelectionParserSymbolTable::Impl']]],\n     ['addtargetfile_193', ['addTargetFile', ['../classgmx_1_1LoggerBuilder.xhtml#a3919fdf863ed21af77bc630817316708', 1, 'gmx::LoggerBuilder']]],\n     ['addtargetstream_194', ['addTargetStream', ['../classgmx_1_1LoggerBuilder.xhtml#a2cc988912261dca9bd2a3ab061aeb75b', 1, 'gmx::LoggerBuilder']]],\n     ['addtimeunitoption_195', ['addTimeUnitOption', ['../classgmx_1_1TimeUnitBehavior.xhtml#a290dbcc173e7b2501b8c156cce6a4a6e', 1, 'gmx::TimeUnitBehavior']]],\n     ['addtoconstraintvirial_196', ['addToConstraintVirial', ['../classgmx_1_1EnergyData.xhtml#a212239353ae6a83ca8281ffbb8a837ed', 1, 'gmx::EnergyData']]],\n     ['addtoforcevirial_197', ['addToForceVirial', ['../classgmx_1_1EnergyData.xhtml#aa8e138642068ee1d5554f92f499c2454', 1, 'gmx::EnergyData']]],\n-    ['addtopic_198', ['addtopic', ['../classgmx_1_1anonymous__namespace_02cmdlinehelpmodule_8cpp_03_1_1RootHelpTopic.xhtml#ac7b324c77d502f9dca2921f09252a36f', 1, 'gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::RootHelpTopic::addTopic()'],\n-        ['../classgmx_1_1CommandLineHelpModule.xhtml#ab0dbba082d0ac464390e2c7b5516de14', 1, 'gmx::CommandLineHelpModule::addTopic()']\n+    ['addtopic_198', ['addtopic', ['../classgmx_1_1CommandLineHelpModule.xhtml#ab0dbba082d0ac464390e2c7b5516de14', 1, 'gmx::CommandLineHelpModule::addTopic()'],\n+        ['../classgmx_1_1anonymous__namespace_02cmdlinehelpmodule_8cpp_03_1_1RootHelpTopic.xhtml#ac7b324c77d502f9dca2921f09252a36f', 1, 'gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::RootHelpTopic::addTopic()']\n     ]],\n     ['addtopology_199', ['addTopology', ['../classgmx_1_1test_1_1ModuleTest.xhtml#af108112269f3d6d5200101613cae4f33', 1, 'gmx::test::ModuleTest']]],\n     ['addtospec_200', ['addToSpec', ['../classgmx_1_1RestraintManager.xhtml#a60fb112c33e7414b379c347bc986f1d3', 1, 'gmx::RestraintManager']]],\n     ['addtype_201', ['addType', ['../classPreprocessingAtomTypes.xhtml#a506b9036e6b56624013108eccb6ec29d', 1, 'PreprocessingAtomTypes']]],\n     ['addulps_202', ['addUlps', ['../group__module__testutils.xhtml#gaad10037356014d0ba6ab4599f38ca3f4', 1, 'anonymous_namespace{testasserts_tests.cpp}']]],\n     ['adduniformarray_203', ['adduniformarray', ['../classgmx_1_1KeyValueTreeObjectBuilder.xhtml#a3e0b162bc2ac164597a55ba713d374ea', 1, 'gmx::KeyValueTreeObjectBuilder::addUniformArray(const std::string &amp;key, std::initializer_list&lt; T &gt; values)'],\n         ['../classgmx_1_1KeyValueTreeObjectBuilder.xhtml#ad1442071b735266a82ee1237dc5a2573', 1, 'gmx::KeyValueTreeObjectBuilder::addUniformArray(const std::string &amp;key)']\n@@ -471,28 +471,28 @@\n         ['../page_analysisnbsearch.xhtml', 1, 'Neighborhood search for analysis tools']\n     ]],\n     ['analysis_20trajectoryanalysis_289', ['Framework for Trajectory Analysis (trajectoryanalysis)', ['../group__module__trajectoryanalysis.xhtml', 1, '']]],\n     ['analysisarraydata_290', ['analysisarraydata', ['../classgmx_1_1AnalysisArrayData.xhtml#ab1303625a9e842af1ea5ceeaddabc41d', 1, 'gmx::AnalysisArrayData::AnalysisArrayData()'],\n         ['../classgmx_1_1AnalysisArrayData.xhtml', 1, 'gmx::AnalysisArrayData']\n     ]],\n     ['analysisarraydatatest_291', ['AnalysisArrayDataTest', ['../namespacegmx_1_1test_1_1anonymous__namespace_02arraydata_8cpp_03.xhtml#a9ffdf922c2c9c9dcc03ee31a87b6c0da', 1, 'gmx::test::anonymous_namespace{arraydata.cpp}']]],\n-    ['analysisdata_292', ['analysisdata', ['../classgmx_1_1AnalysisData.xhtml#afde1676e7c3d3fc4dedbd441063b281f', 1, 'gmx::AnalysisData::AnalysisData()'],\n+    ['analysisdata_292', ['analysisdata', ['../classgmx_1_1AnalysisData.xhtml', 1, 'gmx::AnalysisData'],\n         ['../classgmx_1_1AnalysisDataHandle.xhtml#ad7fd203415edf04f027b89dfd0178533', 1, 'gmx::AnalysisDataHandle::AnalysisData'],\n-        ['../classgmx_1_1AnalysisData.xhtml', 1, 'gmx::AnalysisData'],\n+        ['../classgmx_1_1AnalysisData.xhtml#afde1676e7c3d3fc4dedbd441063b281f', 1, 'gmx::AnalysisData::AnalysisData()'],\n         ['../group__module__analysisdata.xhtml', 1, 'Parallelizable Handling of Output Data (analysisdata)']\n     ]],\n     ['analysisdata_2ecpp_293', ['analysisdata.cpp', ['../analysisdata_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2analysisdata_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['analysisdata_2eh_294', ['analysisdata.h', ['../analysisdata_8h.xhtml', 1, '']]],\n     ['analysisdataaveragemodule_295', ['AnalysisDataAverageModule', ['../classgmx_1_1AnalysisDataAverageModule.xhtml', 1, 'gmx']]],\n     ['analysisdataaveragemodulepointer_296', ['AnalysisDataAverageModulePointer', ['../namespacegmx.xhtml#a87e4f5152c736da50dd59275f423a7a3', 1, 'gmx']]],\n-    ['analysisdatabinaveragemodule_297', ['analysisdatabinaveragemodule', ['../classgmx_1_1AnalysisDataBinAverageModule.xhtml#a6912a0b42cf2d67d73659b8f2d4a5997', 1, 'gmx::AnalysisDataBinAverageModule::AnalysisDataBinAverageModule()'],\n-        ['../classgmx_1_1AnalysisDataBinAverageModule.xhtml#ae68db8d9759911b2a903e2918c471771', 1, 'gmx::AnalysisDataBinAverageModule::AnalysisDataBinAverageModule(const AnalysisHistogramSettings &amp;settings)'],\n-        ['../classgmx_1_1AnalysisDataBinAverageModule.xhtml', 1, 'gmx::AnalysisDataBinAverageModule']\n+    ['analysisdatabinaveragemodule_297', ['analysisdatabinaveragemodule', ['../classgmx_1_1AnalysisDataBinAverageModule.xhtml', 1, 'gmx::AnalysisDataBinAverageModule'],\n+        ['../classgmx_1_1AnalysisDataBinAverageModule.xhtml#a6912a0b42cf2d67d73659b8f2d4a5997', 1, 'gmx::AnalysisDataBinAverageModule::AnalysisDataBinAverageModule()'],\n+        ['../classgmx_1_1AnalysisDataBinAverageModule.xhtml#ae68db8d9759911b2a903e2918c471771', 1, 'gmx::AnalysisDataBinAverageModule::AnalysisDataBinAverageModule(const AnalysisHistogramSettings &amp;settings)']\n     ]],\n     ['analysisdatabinaveragemodulepointer_298', ['AnalysisDataBinAverageModulePointer', ['../namespacegmx.xhtml#a2832966f8a1d1e01888448ce10faa595', 1, 'gmx']]],\n     ['analysisdatadisplacementmodule_299', ['AnalysisDataDisplacementModule', ['../classgmx_1_1AnalysisDataDisplacementModule.xhtml', 1, 'gmx']]],\n     ['analysisdatadisplacementmodulepointer_300', ['AnalysisDataDisplacementModulePointer', ['../namespacegmx.xhtml#aa5dd79fb2cd906b55b386b64084543b9', 1, 'gmx']]],\n     ['analysisdataframeaveragemodule_301', ['AnalysisDataFrameAverageModule', ['../classgmx_1_1AnalysisDataFrameAverageModule.xhtml', 1, 'gmx']]],\n     ['analysisdataframeaveragemodulepointer_302', ['AnalysisDataFrameAverageModulePointer', ['../namespacegmx.xhtml#ad580f7f69fb3536c9cba722587e77e49', 1, 'gmx']]],\n     ['analysisdataframeaverager_303', ['AnalysisDataFrameAverager', ['../classgmx_1_1AnalysisDataFrameAverager.xhtml', 1, 'gmx']]],\n@@ -1127,16 +1127,16 @@\n         ['../structgmx_1_1NBAtomDataGpu.xhtml#a576a787d23e52da39489927a9f69523a', 1, 'gmx::NBAtomDataGpu::atomTypes'],\n         ['../structgmx_1_1BenchmarkSystem.xhtml#a41fe865d22956545b9d2b3ba73c18e66', 1, 'gmx::BenchmarkSystem::atomTypes']\n     ]],\n     ['author_658', ['author', ['../classgmx_1_1H5md.xhtml#a442132f595286cb8095261dace23a32c', 1, 'gmx::H5md']]],\n     ['auto_659', ['auto', ['../namespacegmx.xhtml#afd6f3326407d61e4364f4bfeeebe5f03a06b9281e396db002010bde1de57262eb', 1, 'gmx::Auto'],\n         ['../md__enums_8h.xhtml#a97f75ea42eaef8b5f42e1ebc8143677da06b9281e396db002010bde1de57262eb', 1, 'Auto:&#160;md_enums.h']\n     ]],\n-    ['autocorr_2ecpp_660', ['autocorr.cpp', ['../tests_2autocorr_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../autocorr_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['autocorr_2ecpp_660', ['autocorr.cpp', ['../autocorr_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2autocorr_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['autocorr_2eh_661', ['autocorr.h', ['../autocorr_8h.xhtml', 1, '']]],\n     ['automated_20checking_662', ['Automated checking', ['../page_simd.xhtml#autotoc_md69', 1, '']]],\n     ['available_663', ['available', ['../txtdump_8h.xhtml#ae238112c35f9365dea81fcc6a93d85ad', 1, 'txtdump.cpp']]],\n     ['aver_664', ['aver', ['../structt__UmbrellaWindow.xhtml#a761fb336b9511567f04023c5dd340219', 1, 't_UmbrellaWindow']]],\n     ['average_665', ['average', ['../classgmx_1_1AnalysisDataAverageModule.xhtml#a12396e50589a3601c7ebcf0a44ab303c', 1, 'gmx::AnalysisDataAverageModule::average()'],\n         ['../classgmx_1_1AnalysisDataFrameAverager.xhtml#a731796b828190c1936023f4fd9012f97', 1, 'gmx::AnalysisDataFrameAverager::average()'],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_5.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_5.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -96,17 +96,17 @@\n     ]],\n     ['basicmatrix3x3_42', ['BasicMatrix3x3', ['../namespacegmx.xhtml#a6ec53a17a29b3d233fdfbdc4e273d08d', 1, 'gmx']]],\n     ['basicoptions_2ecpp_43', ['basicoptions.cpp', ['../basicoptions_8cpp.xhtml', 1, '']]],\n     ['basicoptions_2eh_44', ['basicoptions.h', ['../basicoptions_8h.xhtml', 1, '']]],\n     ['basicoptionstorage_2eh_45', ['basicoptionstorage.h', ['../basicoptionstorage_8h.xhtml', 1, '']]],\n     ['basictest_46', ['basicTest', ['../classgmx_1_1test_1_1TrajectoryFrameWriterTest.xhtml#af60c02f3ca19494613898ebe603da1b0', 1, 'gmx::test::TrajectoryFrameWriterTest']]],\n     ['basicvector_47', ['basicvector', ['../classgmx_1_1BasicVector.xhtml', 1, 'gmx::BasicVector&lt; ValueType &gt;'],\n+        ['../classgmx_1_1BasicVector.xhtml#a69359bc6b4f977a9e8f4dc671850fa36', 1, 'gmx::BasicVector::BasicVector(const RawArray x)'],\n         ['../classgmx_1_1BasicVector.xhtml#a0770c51feab30c509deb6d9596222fb5', 1, 'gmx::BasicVector::BasicVector()'],\n         ['../classgmx_1_1BasicVector.xhtml#a35f9473fbd9dbc5122c077913b768309', 1, 'gmx::BasicVector::BasicVector(ValueType x, ValueType y, ValueType z)'],\n-        ['../classgmx_1_1BasicVector.xhtml#a69359bc6b4f977a9e8f4dc671850fa36', 1, 'gmx::BasicVector::BasicVector(const RawArray x)'],\n         ['../classgmx_1_1BasicVector.xhtml#a9fc3a859d4ec7431af1481d2b4f4dfe9', 1, 'gmx::BasicVector::BasicVector(const BasicVector &amp;src)=default'],\n         ['../classgmx_1_1BasicVector.xhtml#a1e948305d75e44763895cb2798d8a8c1', 1, 'gmx::BasicVector::BasicVector(BasicVector &amp;&amp;src) noexcept=default']\n     ]],\n     ['basicvector_3c_20double_20_3e_48', ['BasicVector&lt; double &gt;', ['../classgmx_1_1BasicVector.xhtml', 1, 'gmx']]],\n     ['basicvector_3c_20int_20_3e_49', ['BasicVector&lt; int &gt;', ['../classgmx_1_1BasicVector.xhtml', 1, 'gmx']]],\n     ['basicvector_3c_20real_20_3e_50', ['BasicVector&lt; real &gt;', ['../classgmx_1_1BasicVector.xhtml', 1, 'gmx']]],\n     ['bauto_51', ['bAuto', ['../structUmbrellaOptions.xhtml#a495f27b8e9cfb0ac6aa0c5a650eb54a6', 1, 'UmbrellaOptions']]],\n@@ -137,33 +137,33 @@\n         ['../classgmx_1_1IntegerBox.xhtml#a4bdda1928d7845c8e5c5c3ef2918a466', 1, 'gmx::IntegerBox::begin()'],\n         ['../classgmx_1_1internal_1_1SimdArrayRef.xhtml#ab4801001dba830e69c9984d97e9c4932', 1, 'gmx::internal::SimdArrayRef::begin()'],\n         ['../classAtomRange.xhtml#afc17642be8cc592f6f47fdd9d86aa408', 1, 'AtomRange::begin()'],\n         ['../classIListRange.xhtml#a7526befe10a07f17dbc35e704d01aeea', 1, 'IListRange::begin()'],\n         ['../classgmx_1_1EnergyFrame.xhtml#a8c6171058dd1a26721f4af8df12b7a10', 1, 'gmx::EnergyFrame::begin()'],\n         ['../classgmx_1_1FixedCapacityVector.xhtml#a93f0ea6236ab2cc8e924025646f8d87b', 1, 'gmx::FixedCapacityVector::begin() const noexcept'],\n         ['../classgmx_1_1FixedCapacityVector.xhtml#a453e4185086abe32f76359d79e5df439', 1, 'gmx::FixedCapacityVector::begin() noexcept'],\n-        ['../namespacegmx.xhtml#a9fd99e24e163158545296b3f791b0ee8', 1, 'gmx::begin()'],\n         ['../classgmx_1_1EnumerationWrapper.xhtml#abf496f9dcaab55be1b9cbe93f05312d9', 1, 'gmx::EnumerationWrapper::begin()'],\n         ['../structgmx_1_1EnumerationArray.xhtml#a4a2f5be2695dfa8cbac551742c15d771', 1, 'gmx::EnumerationArray::begin()'],\n         ['../classgmx_1_1Range.xhtml#a242b3517477cdd07a73a702f360f5b46', 1, 'gmx::Range::begin()'],\n         ['../namespacegmx.xhtml#aaf0716c8ca857b1a8877fc94463b5850', 1, 'gmx::begin(const MultiDimArray&lt; TContainer, Extents &gt; &amp;multiDimArray)'],\n-        ['../namespacegmx.xhtml#a636719700df07fe8736fa19bb12c29dd', 1, 'gmx::begin(MultiDimArray&lt; TContainer, Extents &gt; &amp;multiDimArray)']\n+        ['../namespacegmx.xhtml#a636719700df07fe8736fa19bb12c29dd', 1, 'gmx::begin(MultiDimArray&lt; TContainer, Extents &gt; &amp;multiDimArray)'],\n+        ['../namespacegmx.xhtml#a9fd99e24e163158545296b3f791b0ee8', 1, 'gmx::begin(const BasicMdspan &amp;basicMdspan)']\n     ]],\n     ['begin_5faction_75', ['BEGIN_ACTION', ['../parser__internal_8h.xhtml#adc0616ed62829750149da924ee4176a9', 1, 'parser_internal.h']]],\n     ['beginiterator_76', ['beginIterator', ['../classgmx_1_1SelectionParserSymbolTable.xhtml#a6301d2be458f368de68f404d9dff17f7', 1, 'gmx::SelectionParserSymbolTable']]],\n     ['behaviorcollection_2ecpp_77', ['behaviorcollection.cpp', ['../behaviorcollection_8cpp.xhtml', 1, '']]],\n     ['behaviorcollection_2eh_78', ['behaviorcollection.h', ['../behaviorcollection_8h.xhtml', 1, '']]],\n     ['bench_79', ['bench', ['../namespacegmx.xhtml#a7b53184fadd094f5c7ac05ba75d70cef', 1, 'gmx']]],\n     ['bench_5fcoords_2eh_80', ['bench_coords.h', ['../bench__coords_8h.xhtml', 1, '']]],\n     ['bench_5fsetup_2ecpp_81', ['bench_setup.cpp', ['../bench__setup_8cpp.xhtml', 1, '']]],\n     ['bench_5fsetup_2eh_82', ['bench_setup.h', ['../bench__setup_8h.xhtml', 1, '']]],\n     ['bench_5fsystem_2ecpp_83', ['bench_system.cpp', ['../bench__system_8cpp.xhtml', 1, '']]],\n     ['bench_5fsystem_2eh_84', ['bench_system.h', ['../bench__system_8h.xhtml', 1, '']]],\n-    ['benchmarksystem_85', ['benchmarksystem', ['../structgmx_1_1BenchmarkSystem.xhtml#a75dfe958cd7d70bdb5e90f2ec642a77b', 1, 'gmx::BenchmarkSystem::BenchmarkSystem()'],\n-        ['../structgmx_1_1BenchmarkSystem.xhtml', 1, 'gmx::BenchmarkSystem']\n+    ['benchmarksystem_85', ['benchmarksystem', ['../structgmx_1_1BenchmarkSystem.xhtml', 1, 'gmx::BenchmarkSystem'],\n+        ['../structgmx_1_1BenchmarkSystem.xhtml#a75dfe958cd7d70bdb5e90f2ec642a77b', 1, 'gmx::BenchmarkSystem::BenchmarkSystem()']\n     ]],\n     ['bend_86', ['Bend', ['../namespacegmx_1_1analysismodules_1_1anonymous__namespace_02dssp_8cpp_03.xhtml#a8ec2371446161e824ba0e6fb1edbba0cadcef3e264a0eecc2a9eadd4478c67a1f', 1, 'gmx::analysismodules::anonymous_namespace{dssp.cpp}']]],\n     ['bequil_87', ['bEquil', ['../structdf__history__t.xhtml#a2800c69caa7fcce2c14cb537c4909bc3', 1, 'df_history_t']]],\n     ['berendsentemperaturecoupling_88', ['BerendsenTemperatureCoupling', ['../classgmx_1_1BerendsenTemperatureCoupling.xhtml', 1, 'gmx']]],\n     ['bestvertex_89', ['bestVertex', ['../classgmx_1_1NelderMeadSimplex.xhtml#a766a1b22213cf4e5a7a10ee4130afd6f', 1, 'gmx::NelderMeadSimplex']]],\n     ['beta_90', ['beta', ['../structgmx_1_1test_1_1AwhTestParameters.xhtml#a3f4c1a9b2610aa00392d66d2c4b183ea', 1, 'gmx::test::AwhTestParameters::beta'],\n         ['../structgmx_1_1DimParams_1_1FepDimParams.xhtml#ad3aa1edaec7f13643c5038ccc2a01a78', 1, 'gmx::DimParams::FepDimParams::beta']\n@@ -253,20 +253,20 @@\n     ['binit_5f_150', ['bInit_', ['../classgmx_1_1PositionCalculationCollection_1_1Impl.xhtml#a60024cd4d6d109f21d8c30665521fd5a', 1, 'gmx::PositionCalculationCollection::Impl']]],\n     ['binitpotbyintegration_151', ['bInitPotByIntegration', ['../structUmbrellaOptions.xhtml#a300317da5dd0f69c7c01e47cc81e00d7', 1, 'UmbrellaOptions']]],\n     ['binputcheckingdisabled_5f_152', ['bInputCheckingDisabled_', ['../classgmx_1_1FileNameOptionManager_1_1Impl.xhtml#a7cd2a4a1fd3c7e2d716acef2c8e6f871', 1, 'gmx::FileNameOptionManager::Impl']]],\n     ['bins_153', ['bins', ['../classgmx_1_1TestParticleInsertion.xhtml#aea7501db300437f517614fdbac3a381d', 1, 'gmx::TestParticleInsertion::bins()'],\n         ['../structUmbrellaOptions.xhtml#a6e4eac2a452db3b73109094936d921a9', 1, 'UmbrellaOptions::bins']\n     ]],\n     ['binuse_5f_154', ['bInUse_', ['../classgmx_1_1test_1_1internal_1_1TestReferenceDataImpl.xhtml#a4ec16f5bca468bf76020234d9f2db510', 1, 'gmx::test::internal::TestReferenceDataImpl']]],\n-    ['binwidth_155', ['binwidth', ['../classgmx_1_1AnalysisHistogramSettingsInitializer.xhtml#add437ddf91989778860826153c6b636c', 1, 'gmx::AnalysisHistogramSettingsInitializer::binWidth()'],\n-        ['../classgmx_1_1AnalysisHistogramSettings.xhtml#af927ef5703f2e7aceac66d8bf912b1e9', 1, 'gmx::AnalysisHistogramSettings::binWidth()']\n+    ['binwidth_155', ['binwidth', ['../classgmx_1_1AnalysisHistogramSettings.xhtml#af927ef5703f2e7aceac66d8bf912b1e9', 1, 'gmx::AnalysisHistogramSettings::binWidth()'],\n+        ['../classgmx_1_1AnalysisHistogramSettingsInitializer.xhtml#add437ddf91989778860826153c6b636c', 1, 'gmx::AnalysisHistogramSettingsInitializer::binWidth()']\n     ]],\n     ['bir_156', ['bIr', ['../structTpxFileHeader.xhtml#a2c041ee5b81c0e8056c7ad6f848c24b8', 1, 'TpxFileHeader']]],\n-    ['bitmask_2eh_157', ['bitmask.h', ['../include_2gromacs_2utility_2bitmask_8h.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2bitmask_8h.xhtml', 1, '(Global Namespace)']\n+    ['bitmask_2eh_157', ['bitmask.h', ['../tests_2bitmask_8h.xhtml', 1, '(Global Namespace)'],\n+        ['../include_2gromacs_2utility_2bitmask_8h.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['bitmask_5fclassname_158', ['BITMASK_CLASSNAME', ['../tests_2bitmask_8h.xhtml#ae98c2c3acbcaf4cebce8326e3ad682cb', 1, 'bitmask.h']]],\n     ['bitmask_5fclassname_5f_159', ['BITMASK_CLASSNAME_', ['../tests_2bitmask_8h.xhtml#aa4a16ee87fdc3d8eec077e2ee58cfd8c', 1, 'bitmask.h']]],\n     ['bitmask_5fclear_160', ['bitmask_clear', ['../include_2gromacs_2utility_2bitmask_8h.xhtml#a18f53c59e5ef4fe3f1b1a649da01fd0a', 1, 'bitmask.h']]],\n     ['bitmask_5finit_5fbit_161', ['bitmask_init_bit', ['../include_2gromacs_2utility_2bitmask_8h.xhtml#ac5dd57fcf554ecadf7f009008e33be8b', 1, 'bitmask.h']]],\n     ['bitmask_5finit_5flow_5fbits_162', ['bitmask_init_low_bits', ['../include_2gromacs_2utility_2bitmask_8h.xhtml#a7ff662ac524c3f80cfa909c40e337eec', 1, 'bitmask.h']]],\n     ['bitmask_5fis_5fdisjoint_163', ['bitmask_is_disjoint', ['../include_2gromacs_2utility_2bitmask_8h.xhtml#a8f44d71faaedd70fca3d13deeb28e184', 1, 'bitmask.h']]],\n@@ -281,23 +281,23 @@\n     ['bitsone_172', ['bitsOne', ['../namespacegmx_1_1test_1_1anonymous__namespace_02threefry_8cpp_03.xhtml#ac28af5f36df89ee6ff045d87e2063912', 1, 'gmx::test::anonymous_namespace{threefry.cpp}']]],\n     ['bitspi_173', ['bitsPi', ['../namespacegmx_1_1test_1_1anonymous__namespace_02threefry_8cpp_03.xhtml#aef23c846a68baade7e8b1f458e60e031', 1, 'gmx::test::anonymous_namespace{threefry.cpp}']]],\n     ['bitszero_174', ['bitsZero', ['../namespacegmx_1_1test_1_1anonymous__namespace_02threefry_8cpp_03.xhtml#ad07248f1818be5c6407ebe56636aa8ee', 1, 'gmx::test::anonymous_namespace{threefry.cpp}']]],\n     ['bkeepallgenerateddihedrals_175', ['bKeepAllGeneratedDihedrals', ['../structPreprocessResidue.xhtml#ac6bf4b23eb4841aeba900478f82c7469', 1, 'PreprocessResidue']]],\n     ['blbnb_176', ['blbnb', ['../classgmx_1_1Lincs.xhtml#a521d2ee5435381e5c5a4525de63766d6', 1, 'gmx::Lincs']]],\n     ['blc_177', ['blc', ['../classgmx_1_1Lincs.xhtml#a0869b658ede5d956b5d47cfc5ea9b55f', 1, 'gmx::Lincs']]],\n     ['blc1_178', ['blc1', ['../classgmx_1_1Lincs.xhtml#a348d78d1c99366e604a2bfb689f0b1fc', 1, 'gmx::Lincs']]],\n-    ['blend_179', ['blend', ['../group__module__simd.xhtml#ga443be80edc7822ae0582bc5a4d4da34c', 1, 'gmx::blend(SimdFloat a, SimdFloat b, SimdFBool sel)'],\n-        ['../group__module__simd.xhtml#gafa1d01238ab3305ab17f301f73eaeaa1', 1, 'gmx::blend(Simd4Double a, Simd4Double b, Simd4DBool sel)'],\n-        ['../group__module__simd.xhtml#ga9a3c7493047defc21bf934ca9fc39476', 1, 'gmx::blend(Simd4Float a, Simd4Float b, Simd4FBool sel)'],\n-        ['../group__module__simd.xhtml#gaa089539a35e39d68f6c8b40421e0a68e', 1, 'gmx::blend(SimdDouble a, SimdDouble b, SimdDBool sel)'],\n-        ['../group__module__simd.xhtml#ga897cd563974628f57a983656bc4f0be5', 1, 'gmx::blend(SimdDInt32 a, SimdDInt32 b, SimdDIBool sel)'],\n-        ['../namespacegmx.xhtml#a97f9e21174d44695b53626648515c4b4', 1, 'gmx::blend(float a, float b, bool sel)'],\n-        ['../namespacegmx.xhtml#a174859a095e84b4a4ee3214547fe8f13', 1, 'gmx::blend(std::int32_t a, std::int32_t b, bool sel)'],\n+    ['blend_179', ['blend', ['../namespacegmx.xhtml#a97f9e21174d44695b53626648515c4b4', 1, 'gmx::blend(float a, float b, bool sel)'],\n         ['../namespacegmx.xhtml#a069393b3673bd0df6aefc16f8379cf96', 1, 'gmx::blend(double a, double b, bool sel)'],\n-        ['../group__module__simd.xhtml#ga3f3f322cbf3a7d646003849046028f65', 1, 'gmx::blend(SimdFInt32 a, SimdFInt32 b, SimdFIBool sel)']\n+        ['../group__module__simd.xhtml#ga3f3f322cbf3a7d646003849046028f65', 1, 'gmx::blend(SimdFInt32 a, SimdFInt32 b, SimdFIBool sel)'],\n+        ['../group__module__simd.xhtml#ga443be80edc7822ae0582bc5a4d4da34c', 1, 'gmx::blend(SimdFloat a, SimdFloat b, SimdFBool sel)'],\n+        ['../namespacegmx.xhtml#a174859a095e84b4a4ee3214547fe8f13', 1, 'gmx::blend(std::int32_t a, std::int32_t b, bool sel)'],\n+        ['../group__module__simd.xhtml#ga897cd563974628f57a983656bc4f0be5', 1, 'gmx::blend(SimdDInt32 a, SimdDInt32 b, SimdDIBool sel)'],\n+        ['../group__module__simd.xhtml#gaa089539a35e39d68f6c8b40421e0a68e', 1, 'gmx::blend(SimdDouble a, SimdDouble b, SimdDBool sel)'],\n+        ['../group__module__simd.xhtml#ga9a3c7493047defc21bf934ca9fc39476', 1, 'gmx::blend(Simd4Float a, Simd4Float b, Simd4FBool sel)'],\n+        ['../group__module__simd.xhtml#gafa1d01238ab3305ab17f301f73eaeaa1', 1, 'gmx::blend(Simd4Double a, Simd4Double b, Simd4DBool sel)']\n     ]],\n     ['bllen_180', ['bllen', ['../classgmx_1_1Lincs.xhtml#a730d195d0cb333e53d6495f81e515127', 1, 'gmx::Lincs']]],\n     ['bllen0_181', ['bllen0', ['../classgmx_1_1Lincs.xhtml#a3ee9e49ac0a6313229d124226e2a4f94', 1, 'gmx::Lincs']]],\n     ['blmf_182', ['blmf', ['../classgmx_1_1Lincs.xhtml#a25ca95bfe854044a505e3311622146b2', 1, 'gmx::Lincs']]],\n     ['blmf1_183', ['blmf1', ['../classgmx_1_1Lincs.xhtml#a901a4826f9964e940971a90fe4309251', 1, 'gmx::Lincs']]],\n     ['blnr_184', ['blnr', ['../classgmx_1_1Lincs.xhtml#a9ed82f15cc64475ffe441bb1012a7cb6', 1, 'gmx::Lincs']]],\n     ['block_185', ['block', ['../classgmx_1_1RangePartitioning.xhtml#a9040a23b8b8ab2a2ed08584694726004', 1, 'gmx::RangePartitioning::block(int blockIndex) const'],\n@@ -364,31 +364,31 @@\n     ['boolean_20elements_240', ['boolean elements', ['../page_module_selection_parser.xhtml#selparser_tree_bool', 1, 'Boolean elements'],\n         ['../page_module_selection_compiler.xhtml#selcompiler_tree_bool', 1, 'Boolean elements']\n     ]],\n     ['boolean_20values_241', ['Boolean values', ['../page_simd.xhtml#autotoc_md62', 1, '']]],\n     ['booleanoption_242', ['booleanoption', ['../classgmx_1_1BooleanOption.xhtml#a580fa621b14b47b0631f613e00f2f3bf', 1, 'gmx::BooleanOption::BooleanOption()'],\n         ['../classgmx_1_1BooleanOption.xhtml', 1, 'gmx::BooleanOption']\n     ]],\n-    ['booleanoptioninfo_243', ['booleanoptioninfo', ['../classgmx_1_1BooleanOptionInfo.xhtml', 1, 'gmx::BooleanOptionInfo'],\n-        ['../classgmx_1_1BooleanOptionInfo.xhtml#aaa90f1e16e75120b323b3dcbe7f5d843', 1, 'gmx::BooleanOptionInfo::BooleanOptionInfo()']\n+    ['booleanoptioninfo_243', ['booleanoptioninfo', ['../classgmx_1_1BooleanOptionInfo.xhtml#aaa90f1e16e75120b323b3dcbe7f5d843', 1, 'gmx::BooleanOptionInfo::BooleanOptionInfo()'],\n+        ['../classgmx_1_1BooleanOptionInfo.xhtml', 1, 'gmx::BooleanOptionInfo']\n     ]],\n     ['booleanoptionstorage_244', ['booleanoptionstorage', ['../classgmx_1_1BooleanOptionStorage.xhtml', 1, 'gmx::BooleanOptionStorage'],\n         ['../classgmx_1_1BooleanOptionStorage.xhtml#a2a5e82c1584d43c3564ad498785beb11', 1, 'gmx::BooleanOptionStorage::BooleanOptionStorage()']\n     ]],\n     ['booleanvaluetostring_245', ['booleanValueToString', ['../md__enums_8h.xhtml#a671fe972ddca1d763b5a13513c04ebc5', 1, 'md_enums.cpp']]],\n     ['boolfromenvironmentordefault_246', ['boolFromEnvironmentOrDefault', ['../namespacegmx_1_1anonymous__namespace_02gpu__3dfft__heffte_8cpp_03.xhtml#a29697dccb0406307c20b8c833995b97d', 1, 'gmx::anonymous_namespace{gpu_3dfft_heffte.cpp}']]],\n     ['boolfromstring_247', ['boolFromString', ['../group__module__utility.xhtml#ga584d812bf08f88312df77eace2eab219', 1, 'gmx']]],\n     ['boolt_248', ['boolt', ['../classgmx_1_1SelectionTreeElement.xhtml#a5681faa349b7dd17efe8c2bcdaac9804', 1, 'gmx::SelectionTreeElement']]],\n     ['booltostring_249', ['boolToString', ['../group__module__utility.xhtml#ga3b3b96bfb0ebff9b47f011ab058ceef9', 1, 'gmx']]],\n     ['booltype_250', ['booltype', ['../structgmx_1_1BoolType.xhtml#ac9aa09c4375a5bb245c289f07f989e59', 1, 'gmx::BoolType::BoolType()'],\n         ['../structScalarDataTypes.xhtml#af8788be3633b2d57b2cc963f1a272396', 1, 'ScalarDataTypes::BoolType'],\n         ['../structgmx_1_1BoolType.xhtml', 1, 'gmx::BoolType']\n     ]],\n-    ['booltype_2ecpp_251', ['booltype.cpp', ['../booltype_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2booltype_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['booltype_2ecpp_251', ['booltype.cpp', ['../tests_2booltype_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../booltype_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['booltype_2eh_252', ['booltype.h', ['../booltype_8h.xhtml', 1, '']]],\n     ['bootstrap_5floadstore_2ecpp_253', ['bootstrap_loadstore.cpp', ['../bootstrap__loadstore_8cpp.xhtml', 1, '']]],\n     ['bound_254', ['bound', ['../classWorkDivision.xhtml#aa82c09e978f422dffb9d59add9dfbd06', 1, 'WorkDivision']]],\n     ['boundingbox_255', ['BoundingBox', ['../structgmx_1_1BoundingBox.xhtml', 1, 'gmx']]],\n     ['boundingbox_2eh_256', ['boundingbox.h', ['../boundingbox_8h.xhtml', 1, '']]],\n     ['boundingbox1d_257', ['BoundingBox1D', ['../structgmx_1_1BoundingBox1D.xhtml', 1, 'gmx']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_6.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_6.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -851,16 +851,16 @@\n         ['../classgmx_1_1OptionStorageTemplate.xhtml#aacee4c66708e962661689f08a462739a', 1, 'gmx::OptionStorageTemplate::clearSet()']\n     ]],\n     ['clearsymboltable_587', ['clearSymbolTable', ['../classgmx_1_1SelectionCollection_1_1Impl.xhtml#ab674dda1a30837dcbacb7a043f339a19', 1, 'gmx::SelectionCollection::Impl']]],\n     ['cleartaskforcebufferusedelements_588', ['clearTaskForceBufferUsedElements', ['../namespacegmx.xhtml#a9c65d4e61132e4ba154b1b1e8d772483', 1, 'gmx']]],\n     ['clfftinitializer_589', ['clfftinitializer', ['../classgmx_1_1ClfftInitializer.xhtml', 1, 'gmx::ClfftInitializer'],\n         ['../classgmx_1_1ClfftInitializer.xhtml#a8e52d5eb9696dbfff76e6bdc9d56353b', 1, 'gmx::ClfftInitializer::ClfftInitializer()']\n     ]],\n-    ['clfftinitializer_2ecpp_590', ['clfftinitializer.cpp', ['../tests_2clfftinitializer_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../clfftinitializer_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['clfftinitializer_2ecpp_590', ['clfftinitializer.cpp', ['../clfftinitializer_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2clfftinitializer_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['clfftinitializer_2eh_591', ['clfftinitializer.h', ['../clfftinitializer_8h.xhtml', 1, '']]],\n     ['clhandle_592', ['clhandle', ['../classgmx_1_1ClHandle.xhtml#afa26827973b650e659cec6b3fdb90a1c', 1, 'gmx::ClHandle::ClHandle()=delete'],\n         ['../classgmx_1_1ClHandle.xhtml#a2dce49849ee0051ee05990c651f0b56a', 1, 'gmx::ClHandle::ClHandle(const ClHandle &amp;)=delete'],\n         ['../classgmx_1_1ClHandle.xhtml#a506140fa32d43652bcffc0dc2f95c366', 1, 'gmx::ClHandle::ClHandle(ClHandle &amp;&amp;) noexcept=default'],\n         ['../classgmx_1_1ClHandle.xhtml#a27f1a3d671ccf77c8c5c724d2c38d0db', 1, 'gmx::ClHandle::ClHandle(cl_type handle)'],\n         ['../classgmx_1_1ClHandle.xhtml', 1, 'gmx::ClHandle&lt; cl_type &gt;']\n@@ -940,24 +940,24 @@\n     ['cmaprestypes_5f_624', ['cmapResTypes_', ['../structInteractionsOfType.xhtml#a1d8c4755ad9aa601d01712f8497cffd6', 1, 'InteractionsOfType']]],\n     ['cmdlinehelpcontext_2ecpp_625', ['cmdlinehelpcontext.cpp', ['../cmdlinehelpcontext_8cpp.xhtml', 1, '']]],\n     ['cmdlinehelpcontext_2eh_626', ['cmdlinehelpcontext.h', ['../cmdlinehelpcontext_8h.xhtml', 1, '']]],\n     ['cmdlinehelpmodule_2ecpp_627', ['cmdlinehelpmodule.cpp', ['../cmdlinehelpmodule_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2cmdlinehelpmodule_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['cmdlinehelpmodule_2eh_628', ['cmdlinehelpmodule.h', ['../cmdlinehelpmodule_8h.xhtml', 1, '']]],\n-    ['cmdlinehelpwriter_2ecpp_629', ['cmdlinehelpwriter.cpp', ['../cmdlinehelpwriter_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2cmdlinehelpwriter_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['cmdlinehelpwriter_2ecpp_629', ['cmdlinehelpwriter.cpp', ['../tests_2cmdlinehelpwriter_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../cmdlinehelpwriter_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['cmdlinehelpwriter_2eh_630', ['cmdlinehelpwriter.h', ['../cmdlinehelpwriter_8h.xhtml', 1, '']]],\n     ['cmdlineinit_2ecpp_631', ['cmdlineinit.cpp', ['../cmdlineinit_8cpp.xhtml', 1, '']]],\n     ['cmdlineinit_2eh_632', ['cmdlineinit.h', ['../cmdlineinit_8h.xhtml', 1, '']]],\n     ['cmdlinemodule_2ecpp_633', ['cmdlinemodule.cpp', ['../cmdlinemodule_8cpp.xhtml', 1, '']]],\n     ['cmdlinemodule_2eh_634', ['cmdlinemodule.h', ['../cmdlinemodule_8h.xhtml', 1, '']]],\n-    ['cmdlinemodulemanager_2ecpp_635', ['cmdlinemodulemanager.cpp', ['../tests_2cmdlinemodulemanager_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../cmdlinemodulemanager_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['cmdlinemodulemanager_2ecpp_635', ['cmdlinemodulemanager.cpp', ['../cmdlinemodulemanager_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2cmdlinemodulemanager_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['cmdlinemodulemanager_2eh_636', ['cmdlinemodulemanager.h', ['../cmdlinemodulemanager_8h.xhtml', 1, '']]],\n     ['cmdlinemodulemanager_5fimpl_2eh_637', ['cmdlinemodulemanager_impl.h', ['../cmdlinemodulemanager__impl_8h.xhtml', 1, '']]],\n     ['cmdlinemodulemanagertest_2ecpp_638', ['cmdlinemodulemanagertest.cpp', ['../cmdlinemodulemanagertest_8cpp.xhtml', 1, '']]],\n     ['cmdlinemodulemanagertest_2eh_639', ['cmdlinemodulemanagertest.h', ['../cmdlinemodulemanagertest_8h.xhtml', 1, '']]],\n     ['cmdlineoptionsmodule_2ecpp_640', ['cmdlineoptionsmodule.cpp', ['../cmdlineoptionsmodule_8cpp.xhtml', 1, '']]],\n     ['cmdlineoptionsmodule_2eh_641', ['cmdlineoptionsmodule.h', ['../cmdlineoptionsmodule_8h.xhtml', 1, '']]],\n@@ -1451,34 +1451,34 @@\n     ['constraintvariable_968', ['ConstraintVariable', ['../namespacegmx.xhtml#adf0082b4644c3e1bec84eeb8e7328cab', 1, 'gmx']]],\n     ['constraintvirial_969', ['constraintVirial', ['../classgmx_1_1EnergyData.xhtml#a7622cec50e1cd69a250424a37352a254', 1, 'gmx::EnergyData']]],\n     ['constrtestdata_2ecpp_970', ['constrtestdata.cpp', ['../constrtestdata_8cpp.xhtml', 1, '']]],\n     ['constrtestdata_2eh_971', ['constrtestdata.h', ['../constrtestdata_8h.xhtml', 1, '']]],\n     ['constrtestrunners_2ecpp_972', ['constrtestrunners.cpp', ['../constrtestrunners_8cpp.xhtml', 1, '']]],\n     ['constrtestrunners_2eh_973', ['constrtestrunners.h', ['../constrtestrunners_8h.xhtml', 1, '']]],\n     ['constrtestrunners_5fgpu_2ecpp_974', ['constrtestrunners_gpu.cpp', ['../constrtestrunners__gpu_8cpp.xhtml', 1, '']]],\n-    ['construct_975', ['construct', ['../classgmx_1_1PairlistSets.xhtml#aad42f93cba846e890cf522fe185f25c8', 1, 'gmx::PairlistSets::construct()'],\n+    ['construct_975', ['construct', ['../classgmx_1_1DefaultInitializationAllocator.xhtml#a4243ef5cf8030cd9f662d52a57fed38d', 1, 'gmx::DefaultInitializationAllocator::construct()'],\n         ['../classgmx_1_1VirtualSitesHandler_1_1Impl.xhtml#a2f1e45ab588659fa6728723727d84de9', 1, 'gmx::VirtualSitesHandler::Impl::construct()'],\n         ['../classgmx_1_1VirtualSitesHandler.xhtml#ac1f0d29a9ee94b2b52c914c1aa08e633', 1, 'gmx::VirtualSitesHandler::construct()'],\n-        ['../classgmx_1_1DefaultInitializationAllocator.xhtml#a4243ef5cf8030cd9f662d52a57fed38d', 1, 'gmx::DefaultInitializationAllocator::construct(U *ptr) noexcept(std::is_nothrow_default_constructible_v&lt; U &gt;)'],\n-        ['../classgmx_1_1DefaultInitializationAllocator.xhtml#a0dd33fe8ace35e948f8866fba3f2153a', 1, 'gmx::DefaultInitializationAllocator::construct(U *ptr, Args &amp;&amp;... args)']\n+        ['../classgmx_1_1PairlistSets.xhtml#aad42f93cba846e890cf522fe185f25c8', 1, 'gmx::PairlistSets::construct()'],\n+        ['../classgmx_1_1DefaultInitializationAllocator.xhtml#a0dd33fe8ace35e948f8866fba3f2153a', 1, 'gmx::DefaultInitializationAllocator::construct()']\n     ]],\n     ['construct_5fvsites_976', ['construct_vsites', ['../namespacegmx.xhtml#a6001f47639fd23ba7e3a7416b5d814d3', 1, 'gmx']]],\n     ['construct_5fvsites_5fthread_977', ['construct_vsites_thread', ['../namespacegmx.xhtml#ad7231a58e8029ba430aee223a45befb7', 1, 'gmx']]],\n     ['constructed_20by_20the_20parser_978', ['Element tree constructed by the parser', ['../page_module_selection_parser.xhtml#selparser_tree', 1, '']]],\n     ['constructgpuhaloexchange_979', ['constructGpuHaloExchange', ['../domdec_8h.xhtml#ad281395404e44cc286365d86935410cb', 1, 'domdec.cpp']]],\n     ['constructingatomidx_980', ['constructingAtomIdx', ['../structgmx_1_1test_1_1anonymous__namespace_02virtualsites_8cpp_03_1_1VirtualSiteTest_1_1VirtualSite.xhtml#af098075ee360beac10bec4a888dd3250', 1, 'gmx::test::anonymous_namespace{virtualsites.cpp}::VirtualSiteTest::VirtualSite']]],\n     ['construction_981', ['Construction', ['../page_analysistemplate.xhtml#autotoc_md82', 1, '']]],\n     ['constructlocalatomset_982', ['constructLocalAtomSet', ['../classgmx_1_1anonymous__namespace_02densityfitting_8cpp_03_1_1DensityFitting.xhtml#a3938ce64c8a981853d9bbfc8d89855f8', 1, 'gmx::anonymous_namespace{densityfitting.cpp}::DensityFitting']]],\n     ['constructpairlist_983', ['constructPairlist', ['../structgmx_1_1nonbonded__verlet__t.xhtml#a171122535bac2e42ce2b8cfe5cab4428', 1, 'gmx::nonbonded_verlet_t']]],\n     ['constructpairlists_984', ['constructPairlists', ['../classgmx_1_1PairlistSet.xhtml#a7c0b3e83f4e04970efe414e4b2a65603', 1, 'gmx::PairlistSet']]],\n     ['constructvirtualsites_985', ['constructVirtualSites', ['../namespacegmx.xhtml#a611ed883c9cb1e8617196276349b4606', 1, 'gmx']]],\n     ['constructvirtualsitesglobal_986', ['constructVirtualSitesGlobal', ['../namespacegmx.xhtml#ada81d297fde33e6be3133e7e81729c74', 1, 'gmx']]],\n     ['constvelocitiesview_987', ['constVelocitiesView', ['../classgmx_1_1StatePropagatorData.xhtml#a68bb9f3867970a2719a7c5f243d6833f', 1, 'gmx::StatePropagatorData']]],\n-    ['constview_988', ['constview', ['../classgmx_1_1MrcDensityMapOfFloatReader.xhtml#a766d0e2492b17e27c5f2508257075a1b', 1, 'gmx::MrcDensityMapOfFloatReader::constView()'],\n-        ['../classgmx_1_1GaussTransform3D.xhtml#a11f8ff23098dfc25e9e2628ba800a20d', 1, 'gmx::GaussTransform3D::constView()']\n+    ['constview_988', ['constview', ['../classgmx_1_1GaussTransform3D.xhtml#a11f8ff23098dfc25e9e2628ba800a20d', 1, 'gmx::GaussTransform3D::constView()'],\n+        ['../classgmx_1_1MrcDensityMapOfFloatReader.xhtml#a766d0e2492b17e27c5f2508257075a1b', 1, 'gmx::MrcDensityMapOfFloatReader::constView()']\n     ]],\n     ['container_989', ['Container', ['../namespacegmx_1_1test_1_1anonymous__namespace_02textreader_8cpp_03.xhtml#acaeeb0653a1f086bbc5f4dbd4f0b7770', 1, 'gmx::test::anonymous_namespace{textreader.cpp}']]],\n     ['contains_990', ['contains', ['../group__module__utility.xhtml#gac0bef974d105fbfcc7e5362111eafed5', 1, 'gmx::contains(const std::string &amp;str, const std::string &amp;substr)'],\n         ['../group__module__utility.xhtml#ga5d6c1daa93bf46a2c397d179e007e3e8', 1, 'gmx::contains(const std::string &amp;str, const char *substr)'],\n         ['../classgmx_1_1test_1_1CommandLine.xhtml#a003456934d4b8e1e53637f996233df8c', 1, 'gmx::test::CommandLine::contains()']\n     ]],\n     ['containsgroupname_991', ['containsGroupName', ['../classgmx_1_1IndexGroupsAndNames.xhtml#a96ab37e104761778680c5704edc7596a', 1, 'gmx::IndexGroupsAndNames']]],\n@@ -1517,19 +1517,19 @@\n     ['convertilisttonbnxnorder_1016', ['convertIlistToNbnxnOrder', ['../namespacegmx.xhtml#a7656ab1400e22553781433915fe98c1f', 1, 'gmx']]],\n     ['convertinteractionstest_1017', ['ConvertInteractionsTest', ['../namespacegmx_1_1test_1_1anonymous__namespace_02convparm_8cpp_03.xhtml#af98e11d0ac91fbdc90b7b7d1896bb93f', 1, 'gmx::test::anonymous_namespace{convparm.cpp}']]],\n     ['convertkernel_1018', ['convertKernel', ['../classGridConverter.xhtml#ab9717d644112f48204931e5685944aeb', 1, 'GridConverter']]],\n     ['convertljcombinationrule_1019', ['convertLJCombinationRule', ['../namespacegmx.xhtml#affc1ec9db2742e91e908d3a9e87df83c', 1, 'gmx']]],\n     ['convertoldtonewgroupformat_1020', ['convertOldToNewGroupFormat', ['../gromacs_2swap_2swapcoords_8cpp.xhtml#a2403a53b125b6939029cab9e2bfa79b1', 1, 'swapcoords.cpp']]],\n     ['convertoptionvalue_1021', ['convertOptionValue', ['../classgmx_1_1SelectionOptionManager.xhtml#a89e3f776167a202203ce8a0883008ad9', 1, 'gmx::SelectionOptionManager']]],\n     ['convertparameters_1022', ['convertParameters', ['../namespacegmx_1_1anonymous__namespace_02electricfield_8cpp_03.xhtml#aa8ef231ccc106c1ff3e72f76b3d53c4d', 1, 'gmx::anonymous_namespace{electricfield.cpp}']]],\n-    ['convertpmegridtofftgrid_1023', ['convertpmegridtofftgrid', ['../pme__gpu__grid__sycl_8cpp.xhtml#ad0f0ee112a6d07185755841b1f74c807', 1, 'convertPmeGridToFftGrid(const PmeGpu *pmeGpu, DeviceBuffer&lt; float &gt; *d_fftRealGrid, const int gridIndex):&#160;pme_gpu_grid_sycl.cpp'],\n+    ['convertpmegridtofftgrid_1023', ['convertpmegridtofftgrid', ['../pme__gpu__ocl__stubs_8cpp.xhtml#a2bc483902c690327c49dc698af5e0f12', 1, 'convertPmeGridToFftGrid(const PmeGpu *, float *, gmx_parallel_3dfft *, const int):&#160;pme_gpu_ocl_stubs.cpp'],\n+        ['../pme__gpu__grid__sycl_8cpp.xhtml#ad0f0ee112a6d07185755841b1f74c807', 1, 'convertPmeGridToFftGrid(const PmeGpu *pmeGpu, DeviceBuffer&lt; float &gt; *d_fftRealGrid, const int gridIndex):&#160;pme_gpu_grid_sycl.cpp'],\n         ['../pme__gpu__grid__sycl_8cpp.xhtml#af858b7f9a5496cd1def9b9c72b36baab', 1, 'convertPmeGridToFftGrid(const PmeGpu *pmeGpu, float *h_fftRealGrid, gmx_parallel_3dfft *fftSetup, const int gridIndex):&#160;pme_gpu_grid_sycl.cpp'],\n         ['../pme__gpu__grid_8h.xhtml#a628873119d33d5f1024be5f083a7edf8', 1, 'convertPmeGridToFftGrid(const PmeGpu *pmeGpu, DeviceBuffer&lt; float &gt; *d_fftRealGrid, int gridIndex):&#160;pme_gpu_grid_sycl.cpp'],\n         ['../pme__gpu__grid_8h.xhtml#aedb25f6830201b8597162ace33091719', 1, 'convertPmeGridToFftGrid(const PmeGpu *pmeGpu, float *h_fftRealGrid, gmx_parallel_3dfft *fftSetup, int gridIndex):&#160;pme_gpu_grid_sycl.cpp'],\n-        ['../pme__gpu__ocl__stubs_8cpp.xhtml#a2bc483902c690327c49dc698af5e0f12', 1, 'convertPmeGridToFftGrid(const PmeGpu *, float *, gmx_parallel_3dfft *, const int):&#160;pme_gpu_ocl_stubs.cpp'],\n         ['../pme__gpu__ocl__stubs_8cpp.xhtml#afd0074b499fbdb6a7c6eb61725ab50b1', 1, 'convertPmeGridToFftGrid(const PmeGpu *, DeviceBuffer&lt; float &gt; *, const int):&#160;pme_gpu_ocl_stubs.cpp']\n     ]],\n     ['convertrvectofloat3ondevice_1024', ['convertRVecToFloat3OnDevice', ['../namespacegmx_1_1test.xhtml#aca935d8d60b16cf7be62a4ecf611dcf5', 1, 'gmx::test']]],\n     ['convertrvectofloat3ondevice_5fkernel_1025', ['convertRVecToFloat3OnDevice_kernel', ['../namespacegmx_1_1test.xhtml#a42a3b91fc397213c7757614d03a1986c', 1, 'gmx::test']]],\n     ['convertrvectofloat3onhost_1026', ['convertRVecToFloat3OnHost', ['../namespacegmx_1_1test.xhtml#abf95d2cdd62cf09055011d82aef58b62', 1, 'gmx::test']]],\n     ['convertsigmaepsilontoc6c12_1027', ['convertSigmaEpsilonToC6C12', ['../namespacegmx.xhtml#a6dcd9848184514744be06b2c7c30bde9', 1, 'gmx']]],\n     ['converttocheckpointsignal_1028', ['convertToCheckpointSignal', ['../namespacegmx.xhtml#a534f177784a0b1985a0d19aa93d397b6', 1, 'gmx']]],\n@@ -1543,34 +1543,34 @@\n         ['../classgmx_1_1test_1_1anonymous__namespace_02abstractoptionstorage_8cpp_03_1_1MockOptionStorage.xhtml#a22242825204bcc517243e4440e767fe7', 1, 'gmx::test::anonymous_namespace{abstractoptionstorage.cpp}::MockOptionStorage::convertValue()']\n     ]],\n     ['convolveforce_1035', ['convolveForce', ['../classgmx_1_1BiasParams.xhtml#a45598bd3d7d1fdb654b70ea0b731fd94', 1, 'gmx::BiasParams']]],\n     ['convparm_2ecpp_1036', ['convparm.cpp', ['../tests_2convparm_8cpp.xhtml', 1, '']]],\n     ['coolstuff_2ecpp_1037', ['coolstuff.cpp', ['../coolstuff_8cpp.xhtml', 1, '']]],\n     ['coolstuff_2eh_1038', ['coolstuff.h', ['../coolstuff_8h.xhtml', 1, '']]],\n     ['coord_5funit_1039', ['coord_unit', ['../structt__pullcoord.xhtml#a7231cfd9b9e497ee43dab28ee4521798', 1, 't_pullcoord']]],\n-    ['coorddata_1040', ['coorddata', ['../structgmx_1_1CorrelationBlockData_1_1CoordData.xhtml', 1, 'gmx::CorrelationBlockData::CoordData'],\n-        ['../classgmx_1_1CorrelationBlockData.xhtml#ad40bec22c752f8a1252d03edce5c8835', 1, 'gmx::CorrelationBlockData::coordData() const'],\n-        ['../structgmx_1_1CorrelationBlockData_1_1CoordData.xhtml#a808c9b7d3d8968f51788ecbd1dbd58cc', 1, 'gmx::CorrelationBlockData::CoordData::CoordData()']\n+    ['coorddata_1040', ['coorddata', ['../structgmx_1_1CorrelationBlockData_1_1CoordData.xhtml#a808c9b7d3d8968f51788ecbd1dbd58cc', 1, 'gmx::CorrelationBlockData::CoordData::CoordData()'],\n+        ['../structgmx_1_1CorrelationBlockData_1_1CoordData.xhtml', 1, 'gmx::CorrelationBlockData::CoordData'],\n+        ['../classgmx_1_1CorrelationBlockData.xhtml#ad40bec22c752f8a1252d03edce5c8835', 1, 'gmx::CorrelationBlockData::coordData() const']\n     ]],\n     ['coordinate_1041', ['Coordinate', ['../namespacegmx.xhtml#a35a656f58d79c7258c8b6e0141bd440bac7c60dd55c0cd4692587f5e9dc114ae9', 1, 'gmx']]],\n     ['coordinate_20data_20output_1042', ['Coordinate data output', ['../page_trajectoryanalysisframework.xhtml#autotoc_md101', 1, '']]],\n     ['coordinate_20files_1043', ['Handling of writing new coordinate files', ['../group__module__coordinateio.xhtml', 1, '']]],\n-    ['coordinate_5f_1044', ['coordinate_', ['../structgmx_1_1RealFunctionvalueAtCoordinate.xhtml#a67cba0e4a8bfdd250f51a24bae2eb652', 1, 'gmx::RealFunctionvalueAtCoordinate::coordinate_'],\n-        ['../structgmx_1_1GaussianSpreadKernelParameters_1_1PositionAndAmplitude.xhtml#a5d31e8646d2e8b56c5bab5f7aeecf0fd', 1, 'gmx::GaussianSpreadKernelParameters::PositionAndAmplitude::coordinate_']\n+    ['coordinate_5f_1044', ['coordinate_', ['../structgmx_1_1GaussianSpreadKernelParameters_1_1PositionAndAmplitude.xhtml#a5d31e8646d2e8b56c5bab5f7aeecf0fd', 1, 'gmx::GaussianSpreadKernelParameters::PositionAndAmplitude::coordinate_'],\n+        ['../structgmx_1_1RealFunctionvalueAtCoordinate.xhtml#a67cba0e4a8bfdd250f51a24bae2eb652', 1, 'gmx::RealFunctionvalueAtCoordinate::coordinate_']\n     ]],\n     ['coordinate_5ftest_2eh_1045', ['coordinate_test.h', ['../coordinate__test_8h.xhtml', 1, '']]],\n     ['coordinatefile_2ecpp_1046', ['coordinatefile.cpp', ['../coordinatefile_8cpp.xhtml', 1, '']]],\n     ['coordinatefile_2eh_1047', ['coordinatefile.h', ['../coordinatefile_8h.xhtml', 1, '']]],\n     ['coordinatefileenums_2eh_1048', ['coordinatefileenums.h', ['../coordinatefileenums_8h.xhtml', 1, '']]],\n     ['coordinatefileflags_1049', ['CoordinateFileFlags', ['../group__module__coordinateio.xhtml#ga3b3ecc36ead08ea2c31b70f0b85b30d6', 1, 'gmx']]],\n     ['coordinatemanager_5f_1050', ['coordinateManager_', ['../structgmx_1_1analysismodules_1_1anonymous__namespace_02msd_8cpp_03_1_1MsdGroupData.xhtml#a50743fb63ea314dad3aea8abfe28fc7b', 1, 'gmx::analysismodules::anonymous_namespace{msd.cpp}::MsdGroupData']]],\n     ['coordinates_1051', ['coordinates', ['../structgmx_1_1test_1_1TestSystem.xhtml#a0db81e80df95a9f08aa331d06b421c5a', 1, 'gmx::test::TestSystem::coordinates'],\n         ['../classgmx_1_1Selection.xhtml#ac3e4001179cd58cb190528e3c0ebe9e7', 1, 'gmx::Selection::coordinates()'],\n-        ['../structgmx_1_1test_1_1anonymous__namespace_02pmegathertest_8cpp_03_1_1TestSystem.xhtml#a9a7b7e9fa2e3bd956e47b339c58bade4', 1, 'gmx::test::anonymous_namespace{pmegathertest.cpp}::TestSystem::coordinates'],\n         ['../structgmx_1_1BenchmarkSystem.xhtml#a1b85395927aa10a901f2f43a28b1949d', 1, 'gmx::BenchmarkSystem::coordinates'],\n+        ['../structgmx_1_1test_1_1anonymous__namespace_02pmegathertest_8cpp_03_1_1TestSystem.xhtml#a9a7b7e9fa2e3bd956e47b339c58bade4', 1, 'gmx::test::anonymous_namespace{pmegathertest.cpp}::TestSystem::coordinates'],\n         ['../namespacegmx_1_1test_1_1anonymous__namespace_02mshift_8cpp_03.xhtml#ae7430e2e7553c14375dc86f4509025c7', 1, 'gmx::test::anonymous_namespace{mshift.cpp}::coordinates()']\n     ]],\n     ['coordinates1000_1052', ['coordinates1000', ['../bench__coords_8h.xhtml#ae305dffdf971f24b9f44642fd64e3564', 1, 'bench_coords.h']]],\n     ['coordinates_5f_1053', ['coordinates_', ['../structgmx_1_1OptimisationResult.xhtml#ac876a8e4238f62617f321305d85fed81', 1, 'gmx::OptimisationResult::coordinates_'],\n         ['../classgmx_1_1test_1_1FrictionMetricTest.xhtml#a076afd97656572f8dd065b5c1c283a3b', 1, 'gmx::test::FrictionMetricTest::coordinates_'],\n         ['../classgmx_1_1test_1_1BiasTest.xhtml#a522eab0e8e6d369f8960261870cc5511', 1, 'gmx::test::BiasTest::coordinates_']\n     ]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_7.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_7.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -75,28 +75,28 @@\n     ['datafilefinder_2eh_47', ['datafilefinder.h', ['../datafilefinder_8h.xhtml', 1, '']]],\n     ['datafileinfo_48', ['datafileinfo', ['../structgmx_1_1DataFileInfo.xhtml#a2b0d8c631f05bf3aced3ae474ab7bd9b', 1, 'gmx::DataFileInfo::DataFileInfo()'],\n         ['../structgmx_1_1DataFileInfo.xhtml', 1, 'gmx::DataFileInfo']\n     ]],\n     ['datafileoptions_49', ['datafileoptions', ['../classgmx_1_1DataFileOptions.xhtml#ae47ecdd791ce64d39d69e7f1ed94ab86', 1, 'gmx::DataFileOptions::DataFileOptions()'],\n         ['../classgmx_1_1DataFileOptions.xhtml', 1, 'gmx::DataFileOptions']\n     ]],\n-    ['datafinished_50', ['datafinished', ['../classgmx_1_1AnalysisDataWeightedHistogramModule.xhtml#ab797b06b6fd0e26924f34882171e258e', 1, 'gmx::AnalysisDataWeightedHistogramModule::dataFinished()'],\n+    ['datafinished_50', ['datafinished', ['../classgmx_1_1AnalysisDataProxy.xhtml#abc8503e676170acd22dd6f9e65680250', 1, 'gmx::AnalysisDataProxy::dataFinished()'],\n         ['../classgmx_1_1AnalysisDataFrameAverageModule.xhtml#a08c7effa85729d2798d2d11d789e3b58', 1, 'gmx::AnalysisDataFrameAverageModule::dataFinished()'],\n-        ['../classgmx_1_1AnalysisDataDisplacementModule.xhtml#a0656c16bb92c6000892321625c4dca8f', 1, 'gmx::AnalysisDataDisplacementModule::dataFinished()'],\n-        ['../classgmx_1_1AnalysisDataSimpleHistogramModule.xhtml#a65d981395131155dbf30220f2f4cf08c', 1, 'gmx::AnalysisDataSimpleHistogramModule::dataFinished()'],\n         ['../classgmx_1_1AbstractPlotModule.xhtml#a71466523b7f3668bc329aa2f02affff0', 1, 'gmx::AbstractPlotModule::dataFinished()'],\n         ['../classgmx_1_1AnalysisDataLifetimeModule.xhtml#a349f059c5035226ae701c81ac16f9526', 1, 'gmx::AnalysisDataLifetimeModule::dataFinished()'],\n         ['../classgmx_1_1AnalysisDataBinAverageModule.xhtml#a18ca4ade1975b99fb36cae67182bcc3d', 1, 'gmx::AnalysisDataBinAverageModule::dataFinished()'],\n-        ['../classgmx_1_1AnalysisDataAverageModule.xhtml#a0a2592faf8bb6af763a092babd8daecd', 1, 'gmx::AnalysisDataAverageModule::dataFinished()'],\n-        ['../classgmx_1_1AnalysisDataModuleParallel.xhtml#a461f7876b81713eba94ea1f35c00700c', 1, 'gmx::AnalysisDataModuleParallel::dataFinished()'],\n-        ['../classgmx_1_1AnalysisDataProxy.xhtml#abc8503e676170acd22dd6f9e65680250', 1, 'gmx::AnalysisDataProxy::dataFinished()'],\n-        ['../classgmx_1_1AnalysisDataModuleSerial.xhtml#a9a8bef99232a88e0fb4a43b1c5ff8f1e', 1, 'gmx::AnalysisDataModuleSerial::dataFinished()'],\n+        ['../classgmx_1_1AnalysisDataWeightedHistogramModule.xhtml#ab797b06b6fd0e26924f34882171e258e', 1, 'gmx::AnalysisDataWeightedHistogramModule::dataFinished()'],\n         ['../classgmx_1_1internal_1_1BasicAverageHistogramModule.xhtml#a039dee588ef5d8704e0a31a9612b8af0', 1, 'gmx::internal::BasicAverageHistogramModule::dataFinished()'],\n         ['../classgmx_1_1analysismodules_1_1anonymous__namespace_02select_8cpp_03_1_1IndexFileWriterModule.xhtml#a8504527fa487011a0fdc454a466ced2d', 1, 'gmx::analysismodules::anonymous_namespace{select.cpp}::IndexFileWriterModule::dataFinished()'],\n-        ['../classgmx_1_1IAnalysisDataModule.xhtml#ab85bf34dcfbd4f5c4be6711c7b07d29c', 1, 'gmx::IAnalysisDataModule::dataFinished()']\n+        ['../classgmx_1_1IAnalysisDataModule.xhtml#ab85bf34dcfbd4f5c4be6711c7b07d29c', 1, 'gmx::IAnalysisDataModule::dataFinished()'],\n+        ['../classgmx_1_1AnalysisDataModuleSerial.xhtml#a9a8bef99232a88e0fb4a43b1c5ff8f1e', 1, 'gmx::AnalysisDataModuleSerial::dataFinished()'],\n+        ['../classgmx_1_1AnalysisDataModuleParallel.xhtml#a461f7876b81713eba94ea1f35c00700c', 1, 'gmx::AnalysisDataModuleParallel::dataFinished()'],\n+        ['../classgmx_1_1AnalysisDataAverageModule.xhtml#a0a2592faf8bb6af763a092babd8daecd', 1, 'gmx::AnalysisDataAverageModule::dataFinished()'],\n+        ['../classgmx_1_1AnalysisDataSimpleHistogramModule.xhtml#a65d981395131155dbf30220f2f4cf08c', 1, 'gmx::AnalysisDataSimpleHistogramModule::dataFinished()'],\n+        ['../classgmx_1_1AnalysisDataDisplacementModule.xhtml#a0656c16bb92c6000892321625c4dca8f', 1, 'gmx::AnalysisDataDisplacementModule::dataFinished()']\n     ]],\n     ['dataframe_2ecpp_51', ['dataframe.cpp', ['../dataframe_8cpp.xhtml', 1, '']]],\n     ['dataframe_2eh_52', ['dataframe.h', ['../dataframe_8h.xhtml', 1, '']]],\n     ['datahandle_53', ['dataHandle', ['../classgmx_1_1TrajectoryAnalysisModuleData.xhtml#ae600024eaa634d84157bc7c75c020e97', 1, 'gmx::TrajectoryAnalysisModuleData']]],\n     ['dataid_54', ['dataid', ['../classgmx_1_1NoseHooverChainsData.xhtml#a8699a78cbaf0bdbd52fc5af4fc91f356', 1, 'gmx::NoseHooverChainsData::dataID()'],\n         ['../classgmx_1_1MttkPropagatorConnection.xhtml#a41b861cedc9560f93acd09363109c110', 1, 'gmx::MttkPropagatorConnection::dataID()'],\n         ['../classgmx_1_1MttkData.xhtml#a3ab4aa2bf51a723fbdc303de2856e907', 1, 'gmx::MttkData::dataID()']\n@@ -433,45 +433,45 @@\n     ['deltaf_267', ['deltaF', ['../structanonymous__namespace_02edsam_8cpp_03_1_1t__edflood.xhtml#ac47eaa589ac996758135ea626493d11d', 1, 'anonymous_namespace{edsam.cpp}::t_edflood']]],\n     ['deltaf0_268', ['deltaF0', ['../structanonymous__namespace_02edsam_8cpp_03_1_1t__edflood.xhtml#a7d9a5161da847e2b9c6d52781093c247', 1, 'anonymous_namespace{edsam.cpp}::t_edflood']]],\n     ['deltah_269', ['deltaH', ['../classForeignLambdaTerms.xhtml#a2618f0f679eb583a5bdb283aba24b098', 1, 'ForeignLambdaTerms']]],\n     ['deltalambda_270', ['deltaLambda', ['../structgmx_1_1test_1_1anonymous__namespace_02freeenergyparameters_8cpp_03_1_1FreeEnergyParameterTestParameters.xhtml#a91ddeaef163751321c2889d6a297d9fc', 1, 'gmx::test::anonymous_namespace{freeenergyparameters.cpp}::FreeEnergyParameterTestParameters']]],\n     ['deltaq_271', ['deltaQ', ['../structt__swap.xhtml#a7a40e974fc44cfe262f80dc60339c065', 1, 't_swap']]],\n     ['density_272', ['density', ['../classgmx_1_1DensitySimilarityMeasure.xhtml#afeeb3485031d214a59eea4efa5c10332', 1, 'gmx::DensitySimilarityMeasure']]],\n     ['densitydatacopy_273', ['densityDataCopy', ['../classgmx_1_1MrcDensityMapOfFloatFromFileReader.xhtml#a3bb54d371697405c206f11d4dfb534a4', 1, 'gmx::MrcDensityMapOfFloatFromFileReader']]],\n-    ['densityfit_2ecpp_274', ['densityfit.cpp', ['../tests_2densityfit_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../densityfit_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['densityfit_2ecpp_274', ['densityfit.cpp', ['../densityfit_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2densityfit_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['densityfit_2eh_275', ['densityfit.h', ['../densityfit_8h.xhtml', 1, '']]],\n     ['densityfitting_276', ['densityfitting', ['../classgmx_1_1anonymous__namespace_02densityfitting_8cpp_03_1_1DensityFitting.xhtml', 1, 'gmx::anonymous_namespace{densityfitting.cpp}::DensityFitting'],\n         ['../classgmx_1_1anonymous__namespace_02densityfitting_8cpp_03_1_1DensityFitting.xhtml#aa9839e3720a234577932dd8d647294c7', 1, 'gmx::anonymous_namespace{densityfitting.cpp}::DensityFitting::DensityFitting()']\n     ]],\n-    ['densityfitting_2ecpp_277', ['densityfitting.cpp', ['../densityfitting_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2densityfitting_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['densityfitting_2ecpp_277', ['densityfitting.cpp', ['../tests_2densityfitting_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../densityfitting_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n-    ['densityfittingamplitudelookup_278', ['densityfittingamplitudelookup', ['../classgmx_1_1DensityFittingAmplitudeLookup.xhtml#ab390de4a90d3b122cc6d54862bfc158f', 1, 'gmx::DensityFittingAmplitudeLookup::DensityFittingAmplitudeLookup(DensityFittingAmplitudeLookup &amp;&amp;other) noexcept'],\n+    ['densityfittingamplitudelookup_278', ['densityfittingamplitudelookup', ['../classgmx_1_1DensityFittingAmplitudeLookup.xhtml#a59fc899181bcc2e39969fa553087444d', 1, 'gmx::DensityFittingAmplitudeLookup::DensityFittingAmplitudeLookup(const DensityFittingAmplitudeMethod &amp;method)'],\n         ['../classgmx_1_1DensityFittingAmplitudeLookup.xhtml#aa1d2f04d8d7aae3d5622cd859a201cbb', 1, 'gmx::DensityFittingAmplitudeLookup::DensityFittingAmplitudeLookup(const DensityFittingAmplitudeLookup &amp;other)'],\n-        ['../classgmx_1_1DensityFittingAmplitudeLookup.xhtml#a59fc899181bcc2e39969fa553087444d', 1, 'gmx::DensityFittingAmplitudeLookup::DensityFittingAmplitudeLookup(const DensityFittingAmplitudeMethod &amp;method)'],\n+        ['../classgmx_1_1DensityFittingAmplitudeLookup.xhtml#ab390de4a90d3b122cc6d54862bfc158f', 1, 'gmx::DensityFittingAmplitudeLookup::DensityFittingAmplitudeLookup(DensityFittingAmplitudeLookup &amp;&amp;other) noexcept'],\n         ['../classgmx_1_1DensityFittingAmplitudeLookup.xhtml', 1, 'gmx::DensityFittingAmplitudeLookup']\n     ]],\n     ['densityfittingamplitudelookup_2ecpp_279', ['densityfittingamplitudelookup.cpp', ['../densityfittingamplitudelookup_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2densityfittingamplitudelookup_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['densityfittingamplitudelookup_2eh_280', ['densityfittingamplitudelookup.h', ['../densityfittingamplitudelookup_8h.xhtml', 1, '']]],\n     ['densityfittingamplitudemethod_281', ['DensityFittingAmplitudeMethod', ['../namespacegmx.xhtml#ab0ad78613a262a1d4fcce5d18525099f', 1, 'gmx']]],\n-    ['densityfittingforce_282', ['densityfittingforce', ['../classgmx_1_1DensityFittingForce.xhtml#acf7150b3a47e6878c27e70500c221d4a', 1, 'gmx::DensityFittingForce::DensityFittingForce()'],\n-        ['../classgmx_1_1DensityFittingForce.xhtml', 1, 'gmx::DensityFittingForce'],\n+    ['densityfittingforce_282', ['densityfittingforce', ['../classgmx_1_1DensityFittingForce.xhtml#acf7150b3a47e6878c27e70500c221d4a', 1, 'gmx::DensityFittingForce::DensityFittingForce(const GaussianSpreadKernelParameters::Shape &amp;kernelShapeParameters)'],\n         ['../classgmx_1_1DensityFittingForce.xhtml#a4515397cbc5ab594e8e9066302e02eca', 1, 'gmx::DensityFittingForce::DensityFittingForce(const DensityFittingForce &amp;other)'],\n-        ['../classgmx_1_1DensityFittingForce.xhtml#a3eab6d07afa82b211179207e74072ff0', 1, 'gmx::DensityFittingForce::DensityFittingForce(DensityFittingForce &amp;&amp;other) noexcept']\n+        ['../classgmx_1_1DensityFittingForce.xhtml#a3eab6d07afa82b211179207e74072ff0', 1, 'gmx::DensityFittingForce::DensityFittingForce(DensityFittingForce &amp;&amp;other) noexcept'],\n+        ['../classgmx_1_1DensityFittingForce.xhtml', 1, 'gmx::DensityFittingForce']\n     ]],\n     ['densityfittingforce_2ecpp_283', ['densityfittingforce.cpp', ['../densityfittingforce_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2densityfittingforce_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['densityfittingforce_2eh_284', ['densityfittingforce.h', ['../densityfittingforce_8h.xhtml', 1, '']]],\n-    ['densityfittingforceprovider_285', ['densityfittingforceprovider', ['../classgmx_1_1DensityFittingForceProvider.xhtml', 1, 'gmx::DensityFittingForceProvider'],\n-        ['../classgmx_1_1DensityFittingForceProvider.xhtml#a99f34ce28c7c4b269fe7b9cc0c61c255', 1, 'gmx::DensityFittingForceProvider::DensityFittingForceProvider()']\n+    ['densityfittingforceprovider_285', ['densityfittingforceprovider', ['../classgmx_1_1DensityFittingForceProvider.xhtml#a99f34ce28c7c4b269fe7b9cc0c61c255', 1, 'gmx::DensityFittingForceProvider::DensityFittingForceProvider()'],\n+        ['../classgmx_1_1DensityFittingForceProvider.xhtml', 1, 'gmx::DensityFittingForceProvider']\n     ]],\n     ['densityfittingforceprovider_2ecpp_286', ['densityfittingforceprovider.cpp', ['../tests_2densityfittingforceprovider_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../densityfittingforceprovider_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['densityfittingforceprovider_2eh_287', ['densityfittingforceprovider.h', ['../densityfittingforceprovider_8h.xhtml', 1, '']]],\n     ['densityfittingforceproviderstate_288', ['DensityFittingForceProviderState', ['../structgmx_1_1DensityFittingForceProviderState.xhtml', 1, 'gmx']]],\n     ['densityfittingmdptransformfromstring_289', ['densityfittingMdpTransformFromString', ['../namespacegmx_1_1anonymous__namespace_02densityfittingoptions_8cpp_03.xhtml#ad01120df989f6892f2b3716de8220d89', 1, 'gmx::anonymous_namespace{densityfittingoptions.cpp}']]],\n@@ -549,16 +549,16 @@\n         ['../devicebuffer__ocl_8h.xhtml#a008d8a7fc47c0b7d231d7b7ca91e928f', 1, 'destroyParamLookupTable(DeviceBuffer&lt; ValueType &gt; *deviceBuffer, const DeviceTexture &amp;):&#160;devicebuffer_ocl.h'],\n         ['../devicebuffer__hip_8h.xhtml#abd742276694c5675ade1493d16e92a3d', 1, 'destroyParamLookupTable(DeviceBuffer&lt; ValueType &gt; *deviceBuffer, const DeviceTexture *):&#160;devicebuffer_hip.h']\n     ]],\n     ['details_325', ['details', ['../page_usinglibrary.xhtml#autotoc_md104', 1, 'CMake &lt;tt&gt;find_package(GROMACS)&lt;/tt&gt; details'],\n         ['../page_modularsimulator.xhtml#autotoc_md43', 1, 'Implementation details'],\n         ['../page_modularsimulator.xhtml#autotoc_md20', 1, 'Signaller and element details']\n     ]],\n-    ['detect_326', ['detect', ['../classgmx_1_1HardwareTopology.xhtml#a8da17cbedfcbc71ca857ff58cdafd4df', 1, 'gmx::HardwareTopology::detect()'],\n-        ['../classgmx_1_1CpuInfo.xhtml#ab39e3eb5227a07cf048b337c47f77c97', 1, 'gmx::CpuInfo::detect()']\n+    ['detect_326', ['detect', ['../classgmx_1_1CpuInfo.xhtml#ab39e3eb5227a07cf048b337c47f77c97', 1, 'gmx::CpuInfo::detect()'],\n+        ['../classgmx_1_1HardwareTopology.xhtml#a8da17cbedfcbc71ca857ff58cdafd4df', 1, 'gmx::HardwareTopology::detect()']\n     ]],\n     ['detect_5fflux_5fper_5fchannel_327', ['detect_flux_per_channel', ['../gromacs_2swap_2swapcoords_8cpp.xhtml#a48abd5d72f9b32a001091674c191cd21', 1, 'swapcoords.cpp']]],\n     ['detect_5fflux_5fper_5fchannel_5finit_328', ['detect_flux_per_channel_init', ['../gromacs_2swap_2swapcoords_8cpp.xhtml#a9e04e622bec9416e9b5b6cd593401ec8', 1, 'swapcoords.cpp']]],\n     ['detectalldeviceinformation_329', ['detectAllDeviceInformation', ['../namespacegmx.xhtml#a5e9915c072ef3d19a4cccfdcd14b31f2', 1, 'gmx']]],\n     ['detectamdapicidlayout_330', ['detectAmdApicIdLayout', ['../namespacegmx_1_1anonymous__namespace_02cpuinfo_8cpp_03.xhtml#aba97bd2744c1dae8d09128ba04728b59', 1, 'gmx::anonymous_namespace{cpuinfo.cpp}']]],\n     ['detectgroup_331', ['detectGroup', ['../namespacegmx.xhtml#aa10b9e2cfb6848642822710aa572c068', 1, 'gmx']]],\n     ['detectlogicalprocessorcount_332', ['detectLogicalProcessorCount', ['../namespacegmx_1_1anonymous__namespace_02hardwaretopology_8cpp_03.xhtml#af1aa0e7fca2b547c7830b8a8af6a0fe7', 1, 'gmx::anonymous_namespace{hardwaretopology.cpp}']]],\n@@ -615,17 +615,17 @@\n     ['devicebuffer_2eh_379', ['devicebuffer.h', ['../devicebuffer_8h.xhtml', 1, '']]],\n     ['devicebuffer_5fdatatype_2eh_380', ['devicebuffer_datatype.h', ['../devicebuffer__datatype_8h.xhtml', 1, '']]],\n     ['devicebuffer_5fhip_2eh_381', ['devicebuffer_hip.h', ['../devicebuffer__hip_8h.xhtml', 1, '']]],\n     ['devicebuffer_5focl_2eh_382', ['devicebuffer_ocl.h', ['../devicebuffer__ocl_8h.xhtml', 1, '']]],\n     ['devicebuffer_5fsycl_2ecpp_383', ['devicebuffer_sycl.cpp', ['../devicebuffer__sycl_8cpp.xhtml', 1, '']]],\n     ['devicebuffer_5fsycl_2eh_384', ['devicebuffer_sycl.h', ['../devicebuffer__sycl_8h.xhtml', 1, '']]],\n     ['devicecontext_385', ['deviceContext', ['../classgmx_1_1test_1_1TestDevice.xhtml#a5504f4f98233c6c79ca89260e6bd8b52', 1, 'gmx::test::TestDevice']]],\n-    ['devicecontext_5f_386', ['devicecontext_', ['../structPmeGpuSpecific.xhtml#a2cfc9ed1971e758d743666d0927298a4', 1, 'PmeGpuSpecific::deviceContext_'],\n-        ['../structPmeGpuProgramImpl.xhtml#a66a06da4b90e1190c0655dcca3a17601', 1, 'PmeGpuProgramImpl::deviceContext_'],\n-        ['../structgmx_1_1NbnxmGpu.xhtml#a354d2abc5057b9ae41acedbea709b546', 1, 'gmx::NbnxmGpu::deviceContext_']\n+    ['devicecontext_5f_386', ['devicecontext_', ['../structgmx_1_1NbnxmGpu.xhtml#a354d2abc5057b9ae41acedbea709b546', 1, 'gmx::NbnxmGpu::deviceContext_'],\n+        ['../structPmeGpuSpecific.xhtml#a2cfc9ed1971e758d743666d0927298a4', 1, 'PmeGpuSpecific::deviceContext_'],\n+        ['../structPmeGpuProgramImpl.xhtml#a66a06da4b90e1190c0655dcca3a17601', 1, 'PmeGpuProgramImpl::deviceContext_']\n     ]],\n     ['devicedetectionresult_387', ['DeviceDetectionResult', ['../structgmx_1_1DeviceDetectionResult.xhtml', 1, 'gmx']]],\n     ['devicedetectionwarnings_5f_388', ['deviceDetectionWarnings_', ['../structgmx_1_1DeviceDetectionResult.xhtml#a3fd6f9092f6ee7dc883486122ec291ff', 1, 'gmx::DeviceDetectionResult']]],\n     ['deviceid_389', ['deviceId', ['../structgmx_1_1HardwareTopology_1_1Device.xhtml#ae55290832a54a102c9817da6d278c499', 1, 'gmx::HardwareTopology::Device']]],\n     ['deviceid_5f_390', ['deviceId_', ['../structgmx_1_1GpuTaskMapping.xhtml#a6698a58bd0f0fab98684b98650fd250d', 1, 'gmx::GpuTaskMapping']]],\n     ['deviceidiscompatible_391', ['deviceidiscompatible', ['../device__management_8h.xhtml#a18842fc46a07885afa6447974760fb74', 1, 'deviceIdIsCompatible(gmx::ArrayRef&lt; const std::unique_ptr&lt; DeviceInformation &gt; &gt; deviceInfoList, int deviceId):&#160;device_management_common.cpp'],\n         ['../device__management__common_8cpp.xhtml#a1f2e8f81e5eede997aecb392dfbfbe94', 1, 'deviceIdIsCompatible(gmx::ArrayRef&lt; const std::unique_ptr&lt; DeviceInformation &gt; &gt; deviceInfoList, const int deviceId):&#160;device_management_common.cpp']\n@@ -645,30 +645,30 @@\n         ['../classDeviceStream.xhtml#acec1cd32716673fce69738e57e3b4ccb', 1, 'DeviceStream::DeviceStream()']\n     ]],\n     ['devicestreammanager_401', ['devicestreammanager', ['../classgmx_1_1DeviceStreamManager.xhtml', 1, 'gmx::DeviceStreamManager'],\n         ['../classgmx_1_1DeviceStreamManager.xhtml#af4af89575a6d318fe0d107f74df07122', 1, 'gmx::DeviceStreamManager::DeviceStreamManager()']\n     ]],\n     ['devicestreammanagertest_402', ['DeviceStreamManagerTest', ['../classgmx_1_1test_1_1anonymous__namespace_02device__stream__manager_8cpp_03_1_1DeviceStreamManagerTest.xhtml', 1, 'gmx::test::anonymous_namespace{device_stream_manager.cpp}']]],\n     ['devicestreampriority_403', ['DeviceStreamPriority', ['../device__stream_8h.xhtml#a745c3a25d092600ae45b68d7e73d8319', 1, 'device_stream.h']]],\n-    ['devicestreams_404', ['devicestreams', ['../structgmx_1_1NbnxmGpu.xhtml#a9f4f1a3ba3ed65bf0bd2220431f776c9', 1, 'gmx::NbnxmGpu::deviceStreams'],\n-        ['../structgmx_1_1NbnxmGpu.xhtml#ad392a543c220ddaccb267db56f97ca3a', 1, 'gmx::NbnxmGpu::deviceStreams']\n+    ['devicestreams_404', ['devicestreams', ['../structgmx_1_1NbnxmGpu.xhtml#ad392a543c220ddaccb267db56f97ca3a', 1, 'gmx::NbnxmGpu::deviceStreams'],\n+        ['../structgmx_1_1NbnxmGpu.xhtml#a9f4f1a3ba3ed65bf0bd2220431f776c9', 1, 'gmx::NbnxmGpu::deviceStreams']\n     ]],\n     ['devicestreamtype_405', ['DeviceStreamType', ['../namespacegmx.xhtml#a90e1f148d98685136b343e0a20d3c2e5', 1, 'gmx']]],\n-    ['devicetexture_406', ['devicetexture', ['../devicebuffer__ocl_8h.xhtml#a960fcf6fb2fa8586385940071cfaa2fa', 1, 'DeviceTexture:&#160;devicebuffer_ocl.h'],\n-        ['../gputraits__hip_8h.xhtml#a8cf197c849959bae8e5efa2216f7808d', 1, 'DeviceTexture:&#160;gputraits_hip.h'],\n+    ['devicetexture_406', ['devicetexture', ['../devicebuffer__hip_8h.xhtml#a8cf197c849959bae8e5efa2216f7808d', 1, 'DeviceTexture:&#160;devicebuffer_hip.h'],\n+        ['../devicebuffer__ocl_8h.xhtml#a960fcf6fb2fa8586385940071cfaa2fa', 1, 'DeviceTexture:&#160;devicebuffer_ocl.h'],\n         ['../gputraits__sycl_8h.xhtml#a960fcf6fb2fa8586385940071cfaa2fa', 1, 'DeviceTexture:&#160;gputraits_sycl.h'],\n-        ['../devicebuffer__hip_8h.xhtml#a8cf197c849959bae8e5efa2216f7808d', 1, 'DeviceTexture:&#160;devicebuffer_hip.h']\n+        ['../gputraits__hip_8h.xhtml#a8cf197c849959bae8e5efa2216f7808d', 1, 'DeviceTexture:&#160;gputraits_hip.h']\n     ]],\n     ['devicetransfers_2ecpp_407', ['devicetransfers.cpp', ['../devicetransfers_8cpp.xhtml', 1, '']]],\n     ['devicetransfers_2eh_408', ['devicetransfers.h', ['../devicetransfers_8h.xhtml', 1, '']]],\n     ['devicetransfers_5fhip_2ecpp_409', ['devicetransfers_hip.cpp', ['../devicetransfers__hip_8cpp.xhtml', 1, '']]],\n     ['devicetransfers_5focl_2ecpp_410', ['devicetransfers_ocl.cpp', ['../devicetransfers__ocl_8cpp.xhtml', 1, '']]],\n     ['devicetransfers_5fsycl_2ecpp_411', ['devicetransfers_sycl.cpp', ['../devicetransfers__sycl_8cpp.xhtml', 1, '']]],\n-    ['devicevendor_412', ['devicevendor', ['../structDeviceInformation.xhtml#af4bb0f772e111410d33b2d1a72b3743f', 1, 'DeviceInformation::deviceVendor'],\n-        ['../device__information_8h.xhtml#a5514710e3c78d4816da9e8d2e3cd508c', 1, 'DeviceVendor:&#160;device_information.h']\n+    ['devicevendor_412', ['devicevendor', ['../device__information_8h.xhtml#a5514710e3c78d4816da9e8d2e3cd508c', 1, 'DeviceVendor:&#160;device_information.h'],\n+        ['../structDeviceInformation.xhtml#af4bb0f772e111410d33b2d1a72b3743f', 1, 'DeviceInformation::deviceVendor']\n     ]],\n     ['df_5fhistory_5ft_413', ['df_history_t', ['../structdf__history__t.xhtml', 1, '']]],\n     ['dfhist_414', ['dfhist', ['../classt__state.xhtml#a633fea391482c8de4656566cebc251d8', 1, 't_state']]],\n     ['dfhistorycheckpointversion_415', ['DFHistoryCheckpointVersion', ['../namespaceanonymous__namespace_02state_8cpp_03.xhtml#ad907cd999a1c8a40aae08a0ed7bd6e6d', 1, 'anonymous_namespace{state.cpp}']]],\n     ['dg2_5fg10_5fa0_416', ['DG2_G10_A0', ['../device__management__sycl__intel__device__ids_8cpp.xhtml#a2cbf4ef8d324a75842da95cf157ad662a18e5a83ee4a8ff824e5eeb2926001289', 1, 'device_management_sycl_intel_device_ids.cpp']]],\n     ['dg2_5fg10_5fa1_417', ['DG2_G10_A1', ['../device__management__sycl__intel__device__ids_8cpp.xhtml#a2cbf4ef8d324a75842da95cf157ad662a8e63387e3d5f2f0e89ca8e17e7322a13', 1, 'device_management_sycl_intel_device_ids.cpp']]],\n     ['dg2_5fg11_5fb0_418', ['DG2_G11_B0', ['../device__management__sycl__intel__device__ids_8cpp.xhtml#a2cbf4ef8d324a75842da95cf157ad662ae09fd3b617353bdf43dbce8ad65f8c03', 1, 'device_management_sycl_intel_device_ids.cpp']]],\n@@ -695,41 +695,41 @@\n     ['diagonalmaskjlargeri_436', ['diagonalMaskJLargerI', ['../namespacegmx.xhtml#a1273798a6b5ad5d7dd7fc5620d210ff4', 1, 'gmx']]],\n     ['diagonalmaskjsmalleri_437', ['diagonalMaskJSmallerI', ['../namespacegmx.xhtml#a2fbe471f79a4da1d4bfb49c51b853ea1', 1, 'gmx']]],\n     ['diagonalmatrix_438', ['diagonalMatrix', ['../namespacegmx.xhtml#a3f41d15665fe05ad3742c644d6fa5374', 1, 'gmx']]],\n     ['diagonalpairlist_439', ['diagonalPairlist', ['../namespacegmx_1_1test_1_1anonymous__namespace_02exclusions_8cpp_03.xhtml#af2d055adaafa0b9f2ba62594e7411a80', 1, 'gmx::test::anonymous_namespace{exclusions.cpp}']]],\n     ['diagonalvirial_440', ['diagonalVirial', ['../classgmx_1_1ThreadForceBuffer.xhtml#a648afe8b8429c3d46a5dfe234f72feaa', 1, 'gmx::ThreadForceBuffer']]],\n     ['diagrams_441', ['Sequence diagrams', ['../page_modularsimulator.xhtml#autotoc_md15', 1, '']]],\n     ['didoutput_442', ['didOutput', ['../classgmx_1_1TextTableFormatter.xhtml#a59ca86a65680755b9a222df87f8d7ce4', 1, 'gmx::TextTableFormatter']]],\n-    ['didpairlisth2d_443', ['didpairlisth2d', ['../structgmx_1_1GpuTimers_1_1Interaction.xhtml#a4c483b26ee5797591a40c52dae026908', 1, 'gmx::GpuTimers::Interaction::didPairlistH2D'],\n-        ['../structgmx_1_1NbnxmGpu.xhtml#a7f8bd28da6ff9a97d7d609488222b57d', 1, 'gmx::NbnxmGpu::didPairlistH2D']\n+    ['didpairlisth2d_443', ['didpairlisth2d', ['../structgmx_1_1NbnxmGpu.xhtml#a7f8bd28da6ff9a97d7d609488222b57d', 1, 'gmx::NbnxmGpu::didPairlistH2D'],\n+        ['../structgmx_1_1GpuTimers_1_1Interaction.xhtml#a4c483b26ee5797591a40c52dae026908', 1, 'gmx::GpuTimers::Interaction::didPairlistH2D']\n     ]],\n-    ['didprune_444', ['didprune', ['../structgmx_1_1NbnxmGpu.xhtml#ad613ef252909b905dcaa5bcde86207f3', 1, 'gmx::NbnxmGpu::didPrune'],\n-        ['../structgmx_1_1GpuTimers_1_1Interaction.xhtml#a0edb113033dc36f84c4e0cba212c914a', 1, 'gmx::GpuTimers::Interaction::didPrune']\n+    ['didprune_444', ['didprune', ['../structgmx_1_1GpuTimers_1_1Interaction.xhtml#a0edb113033dc36f84c4e0cba212c914a', 1, 'gmx::GpuTimers::Interaction::didPrune'],\n+        ['../structgmx_1_1NbnxmGpu.xhtml#ad613ef252909b905dcaa5bcde86207f3', 1, 'gmx::NbnxmGpu::didPrune']\n     ]],\n     ['didrollingprune_445', ['didrollingprune', ['../structgmx_1_1GpuTimers_1_1Interaction.xhtml#a0126f50e882f114f89aecfb33caa9948', 1, 'gmx::GpuTimers::Interaction::didRollingPrune'],\n         ['../structgmx_1_1NbnxmGpu.xhtml#a95c59a287485f2d0eeb1c5a54d704d23', 1, 'gmx::NbnxmGpu::didRollingPrune']\n     ]],\n     ['difference_5ftype_446', ['difference_type', ['../classgmx_1_1ArrayRef.xhtml#a8895b8b6139fe648d37ea4e7e6bab050', 1, 'gmx::ArrayRef::difference_type'],\n-        ['../classgmx_1_1FixedCapacityVector.xhtml#aa3f867aedb5b7ca9e328d2d67dcc1572', 1, 'gmx::FixedCapacityVector::difference_type'],\n         ['../classgmx_1_1internal_1_1SimdArrayRef.xhtml#aa63e91ba0deaea694f85e59d12b1468e', 1, 'gmx::internal::SimdArrayRef::difference_type'],\n-        ['../classgmx_1_1basic__mdspan.xhtml#a64142278cc045a381bb1b1dfedfa73d5', 1, 'gmx::basic_mdspan::difference_type']\n+        ['../classgmx_1_1basic__mdspan.xhtml#a64142278cc045a381bb1b1dfedfa73d5', 1, 'gmx::basic_mdspan::difference_type'],\n+        ['../classgmx_1_1FixedCapacityVector.xhtml#aa3f867aedb5b7ca9e328d2d67dcc1572', 1, 'gmx::FixedCapacityVector::difference_type']\n     ]],\n-    ['diffusioncoefficient_447', ['diffusioncoefficient', ['../structgmx_1_1analysismodules_1_1anonymous__namespace_02msd_8cpp_03_1_1MsdGroupData.xhtml#a72f0f42049502d679ad97a92a637df63', 1, 'gmx::analysismodules::anonymous_namespace{msd.cpp}::MsdGroupData::diffusionCoefficient'],\n-        ['../structgmx_1_1analysismodules_1_1anonymous__namespace_02msd_8cpp_03_1_1MoleculeData.xhtml#a204cee06965a9ed5eaf5d2922fcdc52b', 1, 'gmx::analysismodules::anonymous_namespace{msd.cpp}::MoleculeData::diffusionCoefficient']\n+    ['diffusioncoefficient_447', ['diffusioncoefficient', ['../structgmx_1_1analysismodules_1_1anonymous__namespace_02msd_8cpp_03_1_1MoleculeData.xhtml#a204cee06965a9ed5eaf5d2922fcdc52b', 1, 'gmx::analysismodules::anonymous_namespace{msd.cpp}::MoleculeData::diffusionCoefficient'],\n+        ['../structgmx_1_1analysismodules_1_1anonymous__namespace_02msd_8cpp_03_1_1MsdGroupData.xhtml#a72f0f42049502d679ad97a92a637df63', 1, 'gmx::analysismodules::anonymous_namespace{msd.cpp}::MsdGroupData::diffusionCoefficient']\n     ]],\n     ['dih_5fangle_448', ['dih_angle', ['../bonded_8h.xhtml#aab74ce65ccbdc827d1b64f420382ce4d', 1, 'bonded.h']]],\n     ['dihedral_449', ['Dihedral', ['../namespacegmx.xhtml#ad4174b02d2bfb10e8538d4844ecc6f81a15aa29eb5f33d765183c9512f11f6643', 1, 'gmx']]],\n-    ['dihedrals_450', ['dihedrals', ['../classListedForces.xhtml#a73e4fa54dfd332da42036d5ae893da47abf75dca3e2117ac08c26671295c8f745', 1, 'ListedForces::Dihedrals'],\n-        ['../structAllVsiteBondedInteractions.xhtml#ad6f9dcc485af3d44fcfd148b689455b8', 1, 'AllVsiteBondedInteractions::dihedrals']\n+    ['dihedrals_450', ['dihedrals', ['../structAllVsiteBondedInteractions.xhtml#ad6f9dcc485af3d44fcfd148b689455b8', 1, 'AllVsiteBondedInteractions::dihedrals'],\n+        ['../classListedForces.xhtml#a73e4fa54dfd332da42036d5ae893da47abf75dca3e2117ac08c26671295c8f745', 1, 'ListedForces::Dihedrals']\n     ]],\n-    ['dim_451', ['dim', ['../structt__pbc.xhtml#ad54855fa0733f3c75444af6dc1528636', 1, 't_pbc::dim'],\n-        ['../structt__pullcoord.xhtml#ab3071c513778bf1e6cc5533f8a6fde0c', 1, 't_pullcoord::dim']\n+    ['dim_451', ['dim', ['../structt__pullcoord.xhtml#ab3071c513778bf1e6cc5533f8a6fde0c', 1, 't_pullcoord::dim'],\n+        ['../structt__pbc.xhtml#ad54855fa0733f3c75444af6dc1528636', 1, 't_pbc::dim']\n     ]],\n-    ['dim2char_452', ['dim2char', ['../utility_8cpp.xhtml#a0e6754210d3da6c83df0026fac81c8d7', 1, 'dim2char(int dim):&#160;utility.cpp'],\n-        ['../domdec_2utility_8h.xhtml#a0e6754210d3da6c83df0026fac81c8d7', 1, 'dim2char(int dim):&#160;utility.cpp']\n+    ['dim2char_452', ['dim2char', ['../domdec_2utility_8h.xhtml#a0e6754210d3da6c83df0026fac81c8d7', 1, 'dim2char(int dim):&#160;utility.cpp'],\n+        ['../utility_8cpp.xhtml#a0e6754210d3da6c83df0026fac81c8d7', 1, 'dim2char(int dim):&#160;utility.cpp']\n     ]],\n     ['dimensions_453', ['dimensions', ['../classgmx_1_1Grid.xhtml#aceb932a5d167bfb8542783a0411d8326', 1, 'gmx::Grid']]],\n     ['dimparams_454', ['dimparams', ['../structgmx_1_1test_1_1AwhTestParameters.xhtml#a5f6ef7f7f697baeb4b741c14655bc084', 1, 'gmx::test::AwhTestParameters::dimParams'],\n         ['../classgmx_1_1Bias.xhtml#a885bd2d822a44ef8e0f978ce66cbc3fa', 1, 'gmx::Bias::dimParams()'],\n         ['../structgmx_1_1DimParams.xhtml', 1, 'gmx::DimParams']\n     ]],\n     ['dimparams_2eh_455', ['dimparams.h', ['../dimparams_8h.xhtml', 1, '']]],\n@@ -757,31 +757,31 @@\n     ['discard_475', ['discard', ['../classgmx_1_1ThreeFry2x64General.xhtml#aab9990f892841c781d19c39e973d6cea', 1, 'gmx::ThreeFry2x64General']]],\n     ['disconnect_476', ['Disconnect', ['../namespacegmx.xhtml#aa72f45c17038ea5aae00ba6b17cab901a42ae25231906c83927831e0ef7c317ac', 1, 'gmx']]],\n     ['disconnectclient_477', ['disconnectClient', ['../classgmx_1_1ImdSession_1_1Impl.xhtml#aa50116cb8e9b54472e517cdf05bbb12b', 1, 'gmx::ImdSession::Impl']]],\n     ['dispatchfreeenergykernels_478', ['dispatchfreeenergykernels', ['../classgmx_1_1FreeEnergyDispatch.xhtml#af5b024697d9abe43b0b39d7017d9011e', 1, 'gmx::FreeEnergyDispatch::dispatchFreeEnergyKernels()'],\n         ['../structgmx_1_1nonbonded__verlet__t.xhtml#adcaddf2345994f412469751cffc1be0d', 1, 'gmx::nonbonded_verlet_t::dispatchFreeEnergyKernels(const ArrayRefWithPadding&lt; const RVec &gt; &amp;coords, ForceWithShiftForces *forceWithShiftForces, bool useSimd, int ntype, const interaction_const_t &amp;ic, ArrayRef&lt; const RVec &gt; shiftvec, ArrayRef&lt; const real &gt; nbfp, ArrayRef&lt; const real &gt; nbfp_grid, ArrayRef&lt; const real &gt; chargeA, ArrayRef&lt; const real &gt; chargeB, ArrayRef&lt; const int &gt; typeA, ArrayRef&lt; const int &gt; typeB, ArrayRef&lt; const real &gt; lambda, gmx_enerdata_t *enerd, const StepWorkload &amp;stepWork, t_nrnb *nrnb)']\n     ]],\n     ['dispatchnonbondedkernel_479', ['dispatchNonbondedKernel', ['../structgmx_1_1nonbonded__verlet__t.xhtml#a6c0f918c534693865f091b76f419c75a', 1, 'gmx::nonbonded_verlet_t']]],\n-    ['dispatchprunekernel_480', ['dispatchprunekernel', ['../classgmx_1_1PairlistSets.xhtml#a21c8ec25f1a46306e00c6d34e2697ed0', 1, 'gmx::PairlistSets::dispatchPruneKernel()'],\n-        ['../classgmx_1_1PairlistSet.xhtml#aaec3edb77c719f0312f6d276172a0889', 1, 'gmx::PairlistSet::dispatchPruneKernel()']\n+    ['dispatchprunekernel_480', ['dispatchprunekernel', ['../classgmx_1_1PairlistSet.xhtml#aaec3edb77c719f0312f6d276172a0889', 1, 'gmx::PairlistSet::dispatchPruneKernel()'],\n+        ['../classgmx_1_1PairlistSets.xhtml#a21c8ec25f1a46306e00c6d34e2697ed0', 1, 'gmx::PairlistSets::dispatchPruneKernel()']\n     ]],\n     ['dispatchprunekernelcpu_481', ['dispatchPruneKernelCpu', ['../structgmx_1_1nonbonded__verlet__t.xhtml#ab4139fa7568494a4d6296385b8a98bd4', 1, 'gmx::nonbonded_verlet_t']]],\n     ['dispatchprunekernelgpu_482', ['dispatchPruneKernelGpu', ['../structgmx_1_1nonbonded__verlet__t.xhtml#aebe958c7462c1531be695a7f5fab969f', 1, 'gmx::nonbonded_verlet_t']]],\n     ['dispatchtemplatedfunction_483', ['dispatchTemplatedFunction', ['../namespacegmx.xhtml#a9d78d8b78147d149a8e79b3f9e73bbf9', 1, 'gmx']]],\n     ['dispersion_5fcorrection_2ecpp_484', ['dispersion_correction.cpp', ['../dispersion__correction_8cpp.xhtml', 1, '']]],\n-    ['dispersion_5fshift_485', ['dispersion_shift', ['../structgmx_1_1cl__nbparam__params.xhtml#a03af9013c0f77e1cf8c359a3ad051701', 1, 'gmx::cl_nbparam_params::dispersion_shift'],\n-        ['../structgmx_1_1NBParamGpu.xhtml#abf4bd7b5bc0a1a3a918ba51ad4df9aa6', 1, 'gmx::NBParamGpu::dispersion_shift']\n+    ['dispersion_5fshift_485', ['dispersion_shift', ['../structgmx_1_1NBParamGpu.xhtml#abf4bd7b5bc0a1a3a918ba51ad4df9aa6', 1, 'gmx::NBParamGpu::dispersion_shift'],\n+        ['../structgmx_1_1cl__nbparam__params.xhtml#a03af9013c0f77e1cf8c359a3ad051701', 1, 'gmx::cl_nbparam_params::dispersion_shift']\n     ]],\n     ['dispersioncorrectiontype_486', ['DispersionCorrectionType', ['../md__enums_8h.xhtml#aef03686404e3fd8d4cd8579f6df48177', 1, 'md_enums.h']]],\n     ['displacement_2ecpp_487', ['displacement.cpp', ['../displacement_8cpp.xhtml', 1, '']]],\n     ['displacement_2eh_488', ['displacement.h', ['../displacement_8h.xhtml', 1, '']]],\n-    ['displayname_489', ['displayname', ['../classgmx_1_1IProgramContext.xhtml#a48191e34bd0e91e7be07ac4527d8a27a', 1, 'gmx::IProgramContext::displayName()'],\n+    ['displayname_489', ['displayname', ['../group__module__commandline.xhtml#ga3b3c118f99ea0aaae964dc2f40bcc474', 1, 'gmx::CommandLineProgramContext::displayName()'],\n+        ['../classgmx_1_1IProgramContext.xhtml#a48191e34bd0e91e7be07ac4527d8a27a', 1, 'gmx::IProgramContext::displayName()'],\n         ['../classgmx_1_1test_1_1anonymous__namespace_02testinit_8cpp_03_1_1TestProgramContext.xhtml#a2281310624f9306371249a8593dff16e', 1, 'gmx::test::anonymous_namespace{testinit.cpp}::TestProgramContext::displayName()'],\n-        ['../classgmx_1_1anonymous__namespace_02programcontext_8cpp_03_1_1DefaultProgramContext.xhtml#adbde93113be0156668287cc960e118d2', 1, 'gmx::anonymous_namespace{programcontext.cpp}::DefaultProgramContext::displayName()'],\n-        ['../group__module__commandline.xhtml#ga3b3c118f99ea0aaae964dc2f40bcc474', 1, 'gmx::CommandLineProgramContext::displayName()']\n+        ['../classgmx_1_1anonymous__namespace_02programcontext_8cpp_03_1_1DefaultProgramContext.xhtml#adbde93113be0156668287cc960e118d2', 1, 'gmx::anonymous_namespace{programcontext.cpp}::DefaultProgramContext::displayName()']\n     ]],\n     ['disre_2eh_490', ['disre.h', ['../disre_8h.xhtml', 1, '']]],\n     ['disre_5finitf_491', ['disre_initf', ['../classhistory__t.xhtml#a9a140a386e26d62b1d6fb96127791140', 1, 'history_t']]],\n     ['disre_5frm3tav_492', ['disre_rm3tav', ['../classhistory__t.xhtml#a72a1ebb16762528948d65786f8db5084', 1, 'history_t']]],\n     ['disresrunmode_493', ['DisResRunMode', ['../disre_8h.xhtml#a411e6886c00118c146449026cfa67f95', 1, 'disre.h']]],\n     ['dist_494', ['dist', ['../structswap__compartment.xhtml#ad85d97f976546d81877472e5bc273d68', 1, 'swap_compartment']]],\n     ['distance_2ecpp_495', ['distance.cpp', ['../modules_2distance_8cpp.xhtml', 1, '(Global Namespace)'],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_8.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_8.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -132,16 +132,16 @@\n     ['eleccutoff_120', ['elecCutoff', ['../structgmx_1_1EnergyFunctionProperties.xhtml#a446abb59b3e43869387b198af126946c', 1, 'gmx::EnergyFunctionProperties']]],\n     ['elecewald_121', ['elecEwald', ['../structgmx_1_1EnergyFunctionProperties.xhtml#a3bb682c07204faab64701f7a264bcf50', 1, 'gmx::EnergyFunctionProperties']]],\n     ['elecewaldana_122', ['elecEwaldAna', ['../structgmx_1_1EnergyFunctionProperties.xhtml#a7cd59edb314261f159984304364b8b83', 1, 'gmx::EnergyFunctionProperties']]],\n     ['elecewaldtab_123', ['elecEwaldTab', ['../structgmx_1_1EnergyFunctionProperties.xhtml#a3dcceed8fc37c68d8a2e13538fc78f1f', 1, 'gmx::EnergyFunctionProperties']]],\n     ['elecewaldtwin_124', ['elecEwaldTwin', ['../structgmx_1_1EnergyFunctionProperties.xhtml#a8924d386afd3ee5ad5a49c3799ea5efe', 1, 'gmx::EnergyFunctionProperties']]],\n     ['elecrf_125', ['elecRF', ['../structgmx_1_1EnergyFunctionProperties.xhtml#ab4d5fb5fe3bc3305d139e637060457a7', 1, 'gmx::EnergyFunctionProperties']]],\n     ['electricfield_126', ['ElectricField', ['../classgmx_1_1anonymous__namespace_02electricfield_8cpp_03_1_1ElectricField.xhtml', 1, 'gmx::anonymous_namespace{electricfield.cpp}']]],\n-    ['electricfield_2ecpp_127', ['electricfield.cpp', ['../electricfield_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2electricfield_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['electricfield_2ecpp_127', ['electricfield.cpp', ['../tests_2electricfield_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../electricfield_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['electricfield_2eh_128', ['electricfield.h', ['../electricfield_8h.xhtml', 1, '']]],\n     ['electricfielddimension_129', ['ElectricFieldDimension', ['../classgmx_1_1anonymous__namespace_02electricfield_8cpp_03_1_1ElectricFieldDimension.xhtml', 1, 'gmx::anonymous_namespace{electricfield.cpp}']]],\n     ['electrophysiology_20position_20swapping_20swap_130', ['&quot;Computational Electrophysiology&quot; position swapping (swap)', ['../group__module__swap.xhtml', 1, '']]],\n     ['electype_131', ['electype', ['../structgmx_1_1cl__nbparam__params.xhtml#aec4b14c76e37abcd993ec9bb6223e3e8', 1, 'gmx::cl_nbparam_params::elecType'],\n         ['../namespacegmx.xhtml#a9b1e5351eeecaeb1a7f02e83888b3e75', 1, 'gmx::ElecType'],\n         ['../structgmx_1_1NBParamGpu.xhtml#a6d3f74d9410ed41c4c8284dbf44c374d', 1, 'gmx::NBParamGpu::elecType']\n@@ -266,28 +266,28 @@\n     ['enableexternalfepstatesetting_163', ['enableexternalfepstatesetting', ['../classgmx_1_1FreeEnergyPerturbationData.xhtml#a8aab439423afb11beab47abb9201f6bc', 1, 'gmx::FreeEnergyPerturbationData::enableExternalFepStateSetting()'],\n         ['../classgmx_1_1FreeEnergyPerturbationData_1_1Element.xhtml#a8d891ed09cdc529b8b91023c5fe54ac7', 1, 'gmx::FreeEnergyPerturbationData::Element::enableExternalFepStateSetting()']\n     ]],\n     ['enablefpexceptions_164', ['enableFPExceptions', ['../classgmx_1_1CommandLineCommonOptionsHolder.xhtml#afffd8e4835ea5a633d3a6ab2b9c62ae7', 1, 'gmx::CommandLineCommonOptionsHolder']]],\n     ['enablegpupmedecomposition_165', ['enableGpuPmeDecomposition', ['../structgmx_1_1DevelopmentFeatureFlags.xhtml#a04cfda43ef27edf7b7843ba78f183a81', 1, 'gmx::DevelopmentFeatureFlags']]],\n     ['enablenvshmem_166', ['enableNvshmem', ['../structgmx_1_1DevelopmentFeatureFlags.xhtml#ae0c857b2cd89caa0d9c6b0da311083a7', 1, 'gmx::DevelopmentFeatureFlags']]],\n     ['encodedvalue_167', ['encodedValue', ['../namespacegmx_1_1test_1_1anonymous__namespace_02haloexchange__mpi_8cpp_03.xhtml#a777c050279cadf1f42c3145b123bd13c', 1, 'gmx::test::anonymous_namespace{haloexchange_mpi.cpp}']]],\n-    ['end_168', ['end', ['../classWorkDivision.xhtml#a55b972ca8118361804f650ae4fd70f77', 1, 'WorkDivision::end()'],\n-        ['../classgmx_1_1Range.xhtml#a5f692bf991d88d90ed8e33cc29a1cc51', 1, 'gmx::Range::end()'],\n+    ['end_168', ['end', ['../classgmx_1_1Range.xhtml#a5f692bf991d88d90ed8e33cc29a1cc51', 1, 'gmx::Range::end()'],\n         ['../classgmx_1_1ArrayRef.xhtml#ad78963af3304f05b7afb61f3d2d3c682', 1, 'gmx::ArrayRef::end()'],\n         ['../classgmx_1_1FixedCapacityVector.xhtml#a0ce73444d0fb3143d0af6a5f8b3ab1c1', 1, 'gmx::FixedCapacityVector::end() noexcept'],\n         ['../classgmx_1_1FixedCapacityVector.xhtml#a1950a5a0fa86373664dd67fa2b7341f1', 1, 'gmx::FixedCapacityVector::end() const noexcept'],\n         ['../classgmx_1_1EnergyFrame.xhtml#a822dc495870d6ced6e1e3bf3dd12b001', 1, 'gmx::EnergyFrame::end()'],\n+        ['../namespacegmx.xhtml#adc38f264fbd12f7c458acaa006bafc23', 1, 'gmx::end(const BasicMdspan &amp;basicMdspan)'],\n+        ['../namespacegmx.xhtml#a052781576fbbc1c6970be93d67899ed6', 1, 'gmx::end(MultiDimArray&lt; TContainer, Extents &gt; &amp;multiDimArray)'],\n+        ['../namespacegmx.xhtml#ad27509079b48f39c3f4fab22fd1a7796', 1, 'gmx::end(const MultiDimArray&lt; TContainer, Extents &gt; &amp;multiDimArray)'],\n         ['../classIListRange.xhtml#af63fb2ced09ef9eccb0e88fbc7b26b09', 1, 'IListRange::end()'],\n+        ['../classgmx_1_1EnergyTerm.xhtml#ac9ab5be006073499a3fc86511b7fb2da', 1, 'gmx::EnergyTerm::end()'],\n+        ['../classWorkDivision.xhtml#a55b972ca8118361804f650ae4fd70f77', 1, 'WorkDivision::end()'],\n         ['../classAtomRange.xhtml#a61e27abc7881206f14ae2dd2af0e97f3', 1, 'AtomRange::end()'],\n-        ['../classgmx_1_1internal_1_1SimdArrayRef.xhtml#aa5d327c9a3459a9130dca36a084625c7', 1, 'gmx::internal::SimdArrayRef::end()'],\n         ['../classgmx_1_1IntegerBox.xhtml#a88b65fffe1dd2f10b4283ce6c7c0881f', 1, 'gmx::IntegerBox::end()'],\n-        ['../classgmx_1_1EnergyTerm.xhtml#ac9ab5be006073499a3fc86511b7fb2da', 1, 'gmx::EnergyTerm::end()'],\n-        ['../namespacegmx.xhtml#ad27509079b48f39c3f4fab22fd1a7796', 1, 'gmx::end(const MultiDimArray&lt; TContainer, Extents &gt; &amp;multiDimArray)'],\n-        ['../namespacegmx.xhtml#a052781576fbbc1c6970be93d67899ed6', 1, 'gmx::end(MultiDimArray&lt; TContainer, Extents &gt; &amp;multiDimArray)'],\n-        ['../namespacegmx.xhtml#adc38f264fbd12f7c458acaa006bafc23', 1, 'gmx::end(const BasicMdspan &amp;basicMdspan)']\n+        ['../classgmx_1_1internal_1_1SimdArrayRef.xhtml#aa5d327c9a3459a9130dca36a084625c7', 1, 'gmx::internal::SimdArrayRef::end()']\n     ]],\n     ['end_5f_169', ['end_', ['../classgmx_1_1SelectionParserSymbolIterator_1_1Impl.xhtml#adaad6e3477afb09f0ebce0ad91d3bd6d', 1, 'gmx::SelectionParserSymbolIterator::Impl']]],\n     ['end_5faction_170', ['END_ACTION', ['../parser__internal_8h.xhtml#a8cff21a873fa69df9a845af194a2bb38', 1, 'parser_internal.h']]],\n     ['end_5faction_5ftoplevel_171', ['END_ACTION_TOPLEVEL', ['../parser__internal_8h.xhtml#ac78a505847a3259da9fdc0ab88fd97f2', 1, 'parser_internal.h']]],\n     ['endianswapbehavior_172', ['EndianSwapBehavior', ['../namespacegmx.xhtml#a9dcfc375435eb5edc0e45544fd43e655', 1, 'gmx']]],\n     ['endindex_173', ['endIndex', ['../structgmx_1_1SelectionLocation.xhtml#a41e340847acbb630e084602422793e99', 1, 'gmx::SelectionLocation']]],\n     ['enditerator_174', ['endIterator', ['../classgmx_1_1SelectionParserSymbolTable.xhtml#aa020bd1b932f67be6353e08f48d990da', 1, 'gmx::SelectionParserSymbolTable']]],\n@@ -684,21 +684,21 @@\n     ['etc_5fandersen_391', ['ETC_ANDERSEN', ['../md__enums_8h.xhtml#a42b141c40b00fbf6aaa7d42f79b004bf', 1, 'md_enums.h']]],\n     ['ethane_392', ['ethane', ['../namespacegmx_1_1test_1_1anonymous__namespace_02updategroups_8cpp_03.xhtml#a90722e7d44d5d0a063d714057d5c9ee5', 1, 'gmx::test::anonymous_namespace{updategroups.cpp}']]],\n     ['ethaneua_393', ['ethaneUA', ['../namespacegmx_1_1test_1_1anonymous__namespace_02updategroups_8cpp_03.xhtml#a27779df09c39110bb540b42893717ef7', 1, 'gmx::test::anonymous_namespace{updategroups.cpp}']]],\n     ['eticoul_394', ['etiCOUL', ['../forcetable_8h.xhtml#a9334a5b9057f32da96db9b5c6a045d67a22814a4fa63720f5c6b6008dbceb4781', 1, 'forcetable.h']]],\n     ['etilj12_395', ['etiLJ12', ['../forcetable_8h.xhtml#a9334a5b9057f32da96db9b5c6a045d67abd1f60de18c1a08fbbf8f701f18bc5dc', 1, 'forcetable.h']]],\n     ['etilj6_396', ['etiLJ6', ['../forcetable_8h.xhtml#a9334a5b9057f32da96db9b5c6a045d67a14de69e4e7dd8738916c6965be9a3b90', 1, 'forcetable.h']]],\n     ['etinr_397', ['etiNR', ['../forcetable_8h.xhtml#a9334a5b9057f32da96db9b5c6a045d67aefe23a4b7521eb5cf444aa993db19829', 1, 'forcetable.h']]],\n-    ['evaluate_398', ['evaluate', ['../structt__compiler__data.xhtml#a5128b3f090d5c7fb2eb867570e89fe3b', 1, 't_compiler_data::evaluate'],\n+    ['evaluate_398', ['evaluate', ['../classgmx_1_1SelectionCollection.xhtml#a3d981d35e2fbd35f64092063871fdef3', 1, 'gmx::SelectionCollection::evaluate()'],\n+        ['../classgmx_1_1IRestraintPotential.xhtml#abd785aca4a7790377720f445e8263ffb', 1, 'gmx::IRestraintPotential::evaluate()'],\n+        ['../structt__compiler__data.xhtml#a5128b3f090d5c7fb2eb867570e89fe3b', 1, 't_compiler_data::evaluate'],\n+        ['../classgmx_1_1SelectionEvaluator.xhtml#ad86f6b06a9c14294732430b01329e0af', 1, 'gmx::SelectionEvaluator::evaluate()'],\n         ['../classgmx_1_1SelectionTreeElement.xhtml#aa2729334e9625ab9446f87dee5e2acf4', 1, 'gmx::SelectionTreeElement::evaluate'],\n         ['../classgmx_1_1anonymous__namespace_02electricfield_8cpp_03_1_1ElectricFieldDimension.xhtml#a0601d30a0ad2f0ca3cbdd80929d66ad1', 1, 'gmx::anonymous_namespace{electricfield.cpp}::ElectricFieldDimension::evaluate()'],\n-        ['../classgmx_1_1PullCoordExpressionParser.xhtml#aedf144756d7dd044b691f937f05ed07a', 1, 'gmx::PullCoordExpressionParser::evaluate()'],\n-        ['../classgmx_1_1SelectionEvaluator.xhtml#ad86f6b06a9c14294732430b01329e0af', 1, 'gmx::SelectionEvaluator::evaluate()'],\n-        ['../classgmx_1_1IRestraintPotential.xhtml#abd785aca4a7790377720f445e8263ffb', 1, 'gmx::IRestraintPotential::evaluate()'],\n-        ['../classgmx_1_1SelectionCollection.xhtml#a3d981d35e2fbd35f64092063871fdef3', 1, 'gmx::SelectionCollection::evaluate()']\n+        ['../classgmx_1_1PullCoordExpressionParser.xhtml#aedf144756d7dd044b691f937f05ed07a', 1, 'gmx::PullCoordExpressionParser::evaluate()']\n     ]],\n     ['evaluate_2ecpp_399', ['evaluate.cpp', ['../evaluate_8cpp.xhtml', 1, '']]],\n     ['evaluate_2eh_400', ['evaluate.h', ['../evaluate_8h.xhtml', 1, '']]],\n     ['evaluate_5fall_401', ['evaluate_all', ['../sm__simple_8cpp.xhtml#ab5d9aaa1591fbf99ef54f35c930d876f', 1, 'sm_simple.cpp']]],\n     ['evaluate_5faltloc_402', ['evaluate_altloc', ['../sm__simple_8cpp.xhtml#ac95693c16cf861f2aba6655c0ff6f0d2', 1, 'sm_simple.cpp']]],\n     ['evaluate_5fatomname_403', ['evaluate_atomname', ['../sm__simple_8cpp.xhtml#ad8d60c137d3bdb4cc2ef7458abdadfa5', 1, 'sm_simple.cpp']]],\n     ['evaluate_5fatomnr_404', ['evaluate_atomnr', ['../sm__simple_8cpp.xhtml#ac012c9061ab901e7085b9e6be0b0dfb1', 1, 'sm_simple.cpp']]],\n@@ -738,42 +738,42 @@\n     ['evaluate_5fsingle_438', ['evaluate_single', ['../pairs_8cpp.xhtml#a53338e7f9d3499aabdf8f25c6af5f238', 1, 'pairs.cpp']]],\n     ['evaluate_5fwithin_439', ['evaluate_within', ['../sm__distance_8cpp.xhtml#a085423b7b3380c50dc2c2aa0042070fe', 1, 'sm_distance.cpp']]],\n     ['evaluate_5fx_440', ['evaluate_x', ['../sm__simple_8cpp.xhtml#ab0e74f5a11a8275423b617bbc8d247dc', 1, 'sm_simple.cpp']]],\n     ['evaluate_5fy_441', ['evaluate_y', ['../sm__simple_8cpp.xhtml#ac7586817f1b4032087aa7b625224757c', 1, 'sm_simple.cpp']]],\n     ['evaluate_5fz_442', ['evaluate_z', ['../sm__simple_8cpp.xhtml#ac69865bb371f6f50ed83c06fb0cf5531', 1, 'sm_simple.cpp']]],\n     ['evaluatecontractionpoint_443', ['evaluateContractionPoint', ['../classgmx_1_1NelderMeadSimplex.xhtml#a46d235715a1174267e45aebae8beb0c7', 1, 'gmx::NelderMeadSimplex']]],\n     ['evaluated_444', ['Evaluated', ['../classgmx_1_1SelectionCollection_1_1Impl.xhtml#a2b56c1edc3a7dd352db9cf7bc94673d7ad603de8be2ed385509ef70a6c0099623', 1, 'gmx::SelectionCollection::Impl']]],\n-    ['evaluatederivative_445', ['evaluatederivative', ['../classgmx_1_1QuadraticSplineTable.xhtml#aa9e7cfaa0780aa00db5a67b62ea03a38', 1, 'gmx::QuadraticSplineTable::evaluateDerivative(T r, T *derivativeValue) const'],\n-        ['../classgmx_1_1QuadraticSplineTable.xhtml#afb93e2ab60eb02c1b9ea5b93eb6c43b8', 1, 'gmx::QuadraticSplineTable::evaluateDerivative(T r, T *derivativeValue1, T *derivativeValue2, T *derivativeValue3) const'],\n-        ['../classgmx_1_1QuadraticSplineTable.xhtml#a293c4b989907dd4bd628b72a46735e81', 1, 'gmx::QuadraticSplineTable::evaluateDerivative(T r, T *derivativeValue1, T *derivativeValue2) const'],\n-        ['../classgmx_1_1CubicSplineTable.xhtml#a6fe320240e2c63165d04f1118235840e', 1, 'gmx::CubicSplineTable::evaluateDerivative(T r, T *derivativeValue0, T *derivativeValue1, T *derivativeValue2) const'],\n+    ['evaluatederivative_445', ['evaluatederivative', ['../classgmx_1_1CubicSplineTable.xhtml#af581c2c1b906e3c0f6575712d6baef44', 1, 'gmx::CubicSplineTable::evaluateDerivative(T r, T *derivativeValue) const'],\n         ['../classgmx_1_1CubicSplineTable.xhtml#a0422a9e17f991f1c4508e1dbae62d400', 1, 'gmx::CubicSplineTable::evaluateDerivative(T r, T *derivativeValue0, T *derivativeValue1) const'],\n-        ['../classgmx_1_1CubicSplineTable.xhtml#af581c2c1b906e3c0f6575712d6baef44', 1, 'gmx::CubicSplineTable::evaluateDerivative(T r, T *derivativeValue) const']\n+        ['../classgmx_1_1CubicSplineTable.xhtml#a6fe320240e2c63165d04f1118235840e', 1, 'gmx::CubicSplineTable::evaluateDerivative(T r, T *derivativeValue0, T *derivativeValue1, T *derivativeValue2) const'],\n+        ['../classgmx_1_1QuadraticSplineTable.xhtml#aa9e7cfaa0780aa00db5a67b62ea03a38', 1, 'gmx::QuadraticSplineTable::evaluateDerivative(T r, T *derivativeValue) const'],\n+        ['../classgmx_1_1QuadraticSplineTable.xhtml#a293c4b989907dd4bd628b72a46735e81', 1, 'gmx::QuadraticSplineTable::evaluateDerivative(T r, T *derivativeValue1, T *derivativeValue2) const'],\n+        ['../classgmx_1_1QuadraticSplineTable.xhtml#afb93e2ab60eb02c1b9ea5b93eb6c43b8', 1, 'gmx::QuadraticSplineTable::evaluateDerivative(T r, T *derivativeValue1, T *derivativeValue2, T *derivativeValue3) const']\n     ]],\n     ['evaluateexpansionpoint_446', ['evaluateExpansionPoint', ['../classgmx_1_1NelderMeadSimplex.xhtml#a5d83a966145a4b49ccabcbc47b9c4df1', 1, 'gmx::NelderMeadSimplex']]],\n     ['evaluatefinal_447', ['evaluatefinal', ['../classgmx_1_1SelectionEvaluator.xhtml#a6d5202a595b0183631ba627d726f85c1', 1, 'gmx::SelectionEvaluator::evaluateFinal()'],\n         ['../classgmx_1_1SelectionCollection.xhtml#aeb8069b1be3abd49bad0a1431f91ad7c', 1, 'gmx::SelectionCollection::evaluateFinal()']\n     ]],\n     ['evaluateforce_448', ['evaluateforce', ['../classgmx_1_1DensityFittingForce_1_1Impl.xhtml#a94d7bc3daea70ddad195019ed87e5956', 1, 'gmx::DensityFittingForce::Impl::evaluateForce()'],\n         ['../classgmx_1_1DensityFittingForce.xhtml#a48de58358220847863465808b507fd2e', 1, 'gmx::DensityFittingForce::evaluateForce()']\n     ]],\n     ['evaluateforces_449', ['evaluateForces', ['../classgmx_1_1SelectionOption.xhtml#ab1969e91ec57a1282b5e796800389933', 1, 'gmx::SelectionOption']]],\n-    ['evaluatefunction_450', ['evaluatefunction', ['../classgmx_1_1CubicSplineTable.xhtml#a624d2f3c7e52adcf7408d4da520b7859', 1, 'gmx::CubicSplineTable::evaluateFunction(T r, T *functionValue) const'],\n+    ['evaluatefunction_450', ['evaluatefunction', ['../classgmx_1_1QuadraticSplineTable.xhtml#a55a6e8f12773a991d4fbe47ef10a8b7a', 1, 'gmx::QuadraticSplineTable::evaluateFunction(T r, T *functionValue1, T *functionValue2, T *functionValue3) const'],\n+        ['../classgmx_1_1QuadraticSplineTable.xhtml#abef6fe237259c1d7e518f29a03c191eb', 1, 'gmx::QuadraticSplineTable::evaluateFunction(T r, T *functionValue1, T *functionValue2) const'],\n+        ['../classgmx_1_1CubicSplineTable.xhtml#a624d2f3c7e52adcf7408d4da520b7859', 1, 'gmx::CubicSplineTable::evaluateFunction(T r, T *functionValue) const'],\n         ['../classgmx_1_1CubicSplineTable.xhtml#a44e659de3e6604fa3ee01cb1422a504f', 1, 'gmx::CubicSplineTable::evaluateFunction(T r, T *functionValue0, T *functionValue1) const'],\n         ['../classgmx_1_1CubicSplineTable.xhtml#a2b6951128e8311ceb8afff6ce7fead36', 1, 'gmx::CubicSplineTable::evaluateFunction(T r, T *functionValue0, T *functionValue1, T *functionValue2) const'],\n-        ['../classgmx_1_1QuadraticSplineTable.xhtml#af9aca690a0ee92af501c865d7a8e5044', 1, 'gmx::QuadraticSplineTable::evaluateFunction(T r, T *functionValue) const'],\n-        ['../classgmx_1_1QuadraticSplineTable.xhtml#abef6fe237259c1d7e518f29a03c191eb', 1, 'gmx::QuadraticSplineTable::evaluateFunction(T r, T *functionValue1, T *functionValue2) const'],\n-        ['../classgmx_1_1QuadraticSplineTable.xhtml#a55a6e8f12773a991d4fbe47ef10a8b7a', 1, 'gmx::QuadraticSplineTable::evaluateFunction(T r, T *functionValue1, T *functionValue2, T *functionValue3) const']\n+        ['../classgmx_1_1QuadraticSplineTable.xhtml#af9aca690a0ee92af501c865d7a8e5044', 1, 'gmx::QuadraticSplineTable::evaluateFunction()']\n     ]],\n-    ['evaluatefunctionandderivative_451', ['evaluatefunctionandderivative', ['../classgmx_1_1CubicSplineTable.xhtml#ac93d0b5e34f7942ca98b2d44d40b3ea1', 1, 'gmx::CubicSplineTable::evaluateFunctionAndDerivative()'],\n-        ['../classgmx_1_1QuadraticSplineTable.xhtml#a155411b2d94d1728b95d4dba7755e3d7', 1, 'gmx::QuadraticSplineTable::evaluateFunctionAndDerivative(T r, T *functionValue1, T *derivativeValue1, T *functionValue2, T *derivativeValue2, T *functionValue3, T *derivativeValue3) const'],\n+    ['evaluatefunctionandderivative_451', ['evaluatefunctionandderivative', ['../classgmx_1_1CubicSplineTable.xhtml#a7313f61a65dfedf8359dbb362c111a5f', 1, 'gmx::CubicSplineTable::evaluateFunctionAndDerivative()'],\n+        ['../classgmx_1_1QuadraticSplineTable.xhtml#a1829af258b70b6ed03822f07aff0190f', 1, 'gmx::QuadraticSplineTable::evaluateFunctionAndDerivative(T r, T *functionValue, T *derivativeValue) const'],\n         ['../classgmx_1_1QuadraticSplineTable.xhtml#a6b70a811af8bd4f953ec5f668412bbaf', 1, 'gmx::QuadraticSplineTable::evaluateFunctionAndDerivative(T r, T *functionValue1, T *derivativeValue1, T *functionValue2, T *derivativeValue2) const'],\n-        ['../classgmx_1_1CubicSplineTable.xhtml#a863c0191a73cfea35178858ff3584bcf', 1, 'gmx::CubicSplineTable::evaluateFunctionAndDerivative()'],\n-        ['../classgmx_1_1QuadraticSplineTable.xhtml#a1829af258b70b6ed03822f07aff0190f', 1, 'gmx::QuadraticSplineTable::evaluateFunctionAndDerivative()'],\n-        ['../classgmx_1_1CubicSplineTable.xhtml#a7313f61a65dfedf8359dbb362c111a5f', 1, 'gmx::CubicSplineTable::evaluateFunctionAndDerivative()']\n+        ['../classgmx_1_1QuadraticSplineTable.xhtml#a155411b2d94d1728b95d4dba7755e3d7', 1, 'gmx::QuadraticSplineTable::evaluateFunctionAndDerivative(T r, T *functionValue1, T *derivativeValue1, T *functionValue2, T *derivativeValue2, T *functionValue3, T *derivativeValue3) const'],\n+        ['../classgmx_1_1CubicSplineTable.xhtml#a863c0191a73cfea35178858ff3584bcf', 1, 'gmx::CubicSplineTable::evaluateFunctionAndDerivative(T r, T *functionValue0, T *derivativeValue0, T *functionValue1, T *derivativeValue1) const'],\n+        ['../classgmx_1_1CubicSplineTable.xhtml#ac93d0b5e34f7942ca98b2d44d40b3ea1', 1, 'gmx::CubicSplineTable::evaluateFunctionAndDerivative(T r, T *functionValue, T *derivativeValue) const']\n     ]],\n     ['evaluatehelpervalues_452', ['evaluateHelperValues', ['../namespacegmx_1_1anonymous__namespace_02densityfit_8cpp_03.xhtml#a6d5392693f1b404bb92e47d63f77d090', 1, 'gmx::anonymous_namespace{densityfit.cpp}']]],\n     ['evaluatemodel_453', ['evaluatemodel', ['../classgmx_1_1TorchModel.xhtml#a5044f053732fd2c28df26c1626f07bff', 1, 'gmx::TorchModel::evaluateModel()'],\n         ['../classgmx_1_1INNPotModel.xhtml#ac41875649affd1941e519b7a671d3703', 1, 'gmx::INNPotModel::evaluateModel()']\n     ]],\n     ['evaluatereflectionpoint_454', ['evaluateReflectionPoint', ['../classgmx_1_1NelderMeadSimplex.xhtml#a55452c154211b3eb0dc5c101e35033aa', 1, 'gmx::NelderMeadSimplex']]],\n     ['evaluateshifttobox_455', ['evaluateShiftToBox', ['../namespacegmx_1_1anonymous__namespace_02com_8cpp_03.xhtml#a68f25f4d5b5426c3ebaf29d7c16dc72f', 1, 'gmx::anonymous_namespace{com.cpp}']]],\n@@ -787,28 +787,28 @@\n     ['eventually_461', ['Eventually', ['../namespacegmx.xhtml#a25c6f46e04e2414063d903e5d3133186a42547597779fff433bc3e3670495515d', 1, 'gmx']]],\n     ['ewald_20family_20treatments_20of_20long_20ranged_20forces_462', ['Ewald-family treatments of long-ranged forces', ['../group__module__ewald.xhtml', 1, '']]],\n     ['ewald_2ecpp_463', ['ewald.cpp', ['../ewald_8cpp.xhtml', 1, '']]],\n     ['ewald_2eh_464', ['ewald.h', ['../ewald_8h.xhtml', 1, '']]],\n     ['ewald_5fbeta_465', ['ewald_beta', ['../structgmx_1_1cl__nbparam__params.xhtml#aebff8671e8ef1048a76afe31b6d66dfd', 1, 'gmx::cl_nbparam_params::ewald_beta'],\n         ['../structgmx_1_1NBParamGpu.xhtml#aeb27c822a1aaa547944f31428b547b58', 1, 'gmx::NBParamGpu::ewald_beta']\n     ]],\n-    ['ewald_5fcharge_5fcorrection_466', ['ewald_charge_correction', ['../ewald_8h.xhtml#a61e28743ca4bd7bfe9808b5636635d18', 1, 'ewald_charge_correction(const t_commrec *commrec, real epsilonR, real ewaldcoeffQ, gmx::ArrayRef&lt; const double &gt; qsum, real lambda, const matrix box, real *dvdlambda, tensor vir):&#160;ewald.cpp'],\n-        ['../ewald_8cpp.xhtml#a8a0a55529dc157a801f85016893beda7', 1, 'ewald_charge_correction(const t_commrec *commrec, const real epsilonR, const real ewaldcoeffQ, gmx::ArrayRef&lt; const double &gt; qsum, const real lambda, const matrix box, real *dvdlambda, tensor vir):&#160;ewald.cpp']\n+    ['ewald_5fcharge_5fcorrection_466', ['ewald_charge_correction', ['../ewald_8cpp.xhtml#a8a0a55529dc157a801f85016893beda7', 1, 'ewald_charge_correction(const t_commrec *commrec, const real epsilonR, const real ewaldcoeffQ, gmx::ArrayRef&lt; const double &gt; qsum, const real lambda, const matrix box, real *dvdlambda, tensor vir):&#160;ewald.cpp'],\n+        ['../ewald_8h.xhtml#a61e28743ca4bd7bfe9808b5636635d18', 1, 'ewald_charge_correction(const t_commrec *commrec, real epsilonR, real ewaldcoeffQ, gmx::ArrayRef&lt; const double &gt; qsum, real lambda, const matrix box, real *dvdlambda, tensor vir):&#160;ewald.cpp']\n     ]],\n     ['ewald_5flrcorrection_467', ['ewald_LRcorrection', ['../long__range__correction_8h.xhtml#ac557b763e9b0bbcf0ec9663891a46409', 1, 'long_range_correction.cpp']]],\n     ['ewald_5fspline3_5ftable_5fscale_468', ['ewald_spline3_table_scale', ['../forcetable_8h.xhtml#afd280d8c41f84d292398f659e619fe35', 1, 'forcetable.cpp']]],\n     ['ewald_5futils_2eh_469', ['ewald_utils.h', ['../ewald__utils_8h.xhtml', 1, '']]],\n     ['ewaldana_470', ['EwaldAna', ['../namespacegmx.xhtml#a9b1e5351eeecaeb1a7f02e83888b3e75abfbab2d060f2dcec3bc55d6f4108fee4', 1, 'gmx']]],\n     ['ewaldanalytical_471', ['EwaldAnalytical', ['../namespacegmx.xhtml#a0f93957d57799d2e5cac00fceb180a99ad0bc9bd64029e8e62669439f419cf30d', 1, 'gmx']]],\n     ['ewaldanatwin_472', ['EwaldAnaTwin', ['../namespacegmx.xhtml#a9b1e5351eeecaeb1a7f02e83888b3e75adb491b14119a8f2be885518e75837800', 1, 'gmx']]],\n     ['ewaldboxzscaler_473', ['ewaldboxzscaler', ['../classEwaldBoxZScaler.xhtml#aa37ac4e4f34d91a704bf3ab2090b1a97', 1, 'EwaldBoxZScaler::EwaldBoxZScaler()'],\n         ['../classEwaldBoxZScaler.xhtml', 1, 'EwaldBoxZScaler']\n     ]],\n-    ['ewaldcoeff_5flj_474', ['ewaldcoeff_lj', ['../structgmx_1_1NBParamGpu.xhtml#a2be9024c8c586d7b06e7372fc7f3f6f7', 1, 'gmx::NBParamGpu::ewaldcoeff_lj'],\n-        ['../structgmx_1_1cl__nbparam__params.xhtml#a8c2bbe45163e3b06e5b710eb94f37438', 1, 'gmx::cl_nbparam_params::ewaldcoeff_lj'],\n+    ['ewaldcoeff_5flj_474', ['ewaldcoeff_lj', ['../structgmx_1_1cl__nbparam__params.xhtml#a8c2bbe45163e3b06e5b710eb94f37438', 1, 'gmx::cl_nbparam_params::ewaldcoeff_lj'],\n+        ['../structgmx_1_1NBParamGpu.xhtml#a2be9024c8c586d7b06e7372fc7f3f6f7', 1, 'gmx::NBParamGpu::ewaldcoeff_lj'],\n         ['../structpme__setup__t.xhtml#af8efa0b7574e63793d1ce70962682563', 1, 'pme_setup_t::ewaldcoeff_lj']\n     ]],\n     ['ewaldcoeff_5fq_475', ['ewaldcoeff_q', ['../structgmx_1_1NbnxmKernelBenchOptions.xhtml#a630e89cdcf9dfd86244819a080bf53fc', 1, 'gmx::NbnxmKernelBenchOptions::ewaldcoeff_q'],\n         ['../structpme__setup__t.xhtml#a89ff53d70c48ad2e8d4c9ba734caa5b0', 1, 'pme_setup_t::ewaldcoeff_q'],\n         ['../structPmeShared.xhtml#a6fd10f91754a5e6528ea46bbe93e8730', 1, 'PmeShared::ewaldcoeff_q']\n     ]],\n     ['ewaldexclusiontype_476', ['EwaldExclusionType', ['../namespacegmx.xhtml#a7c2094c65d96a1bcee4b0cd839a3903f', 1, 'gmx']]],\n@@ -824,49 +824,49 @@\n     ['ewaldsurfacetermtest_484', ['EwaldSurfaceTermTest', ['../classgmx_1_1test_1_1anonymous__namespace_02ewaldsurfaceterm_8cpp_03_1_1EwaldSurfaceTermTest.xhtml', 1, 'gmx::test::anonymous_namespace{ewaldsurfaceterm.cpp}']]],\n     ['ewaldtab_485', ['EwaldTab', ['../namespacegmx.xhtml#a9b1e5351eeecaeb1a7f02e83888b3e75a24ecf05cb87b8ab24dee90e038f527b3', 1, 'gmx']]],\n     ['ewaldtabtwin_486', ['EwaldTabTwin', ['../namespacegmx.xhtml#a9b1e5351eeecaeb1a7f02e83888b3e75afe9511684e9298877f34ebc517ac7e95', 1, 'gmx']]],\n     ['ewaldtabulated_487', ['EwaldTabulated', ['../namespacegmx.xhtml#a0f93957d57799d2e5cac00fceb180a99a3a36906dfb1f9720dfa743e6d4bf711e', 1, 'gmx']]],\n     ['ewl_488', ['EWL', ['../md__enums_8h.xhtml#a8dc64174c798612f2065ff35dc879fb4', 1, 'md_enums.h']]],\n     ['exact_489', ['Exact', ['../group__module__utility.xhtml#gga3ae8c56ad1f6d3f087e5dd1eb69662d9a1649aed298f99d587e2eb30c1db5946b', 1, 'gmx']]],\n     ['exactcontinuation_2ecpp_490', ['exactcontinuation.cpp', ['../exactcontinuation_8cpp.xhtml', 1, '']]],\n-    ['exactdiv_491', ['exactdiv', ['../namespacegmx.xhtml#adab8b84ada5d6c3ce549671f1802cddb', 1, 'gmx::exactDiv(int64_t a, int64_t b)'],\n-        ['../namespacegmx.xhtml#a1b89d1f932712fc893e8f2429cad1813', 1, 'gmx::exactDiv(int32_t a, int32_t b)']\n+    ['exactdiv_491', ['exactdiv', ['../namespacegmx.xhtml#a1b89d1f932712fc893e8f2429cad1813', 1, 'gmx::exactDiv(int32_t a, int32_t b)'],\n+        ['../namespacegmx.xhtml#adab8b84ada5d6c3ce549671f1802cddb', 1, 'gmx::exactDiv(int64_t a, int64_t b)']\n     ]],\n     ['exacttextmatch_492', ['ExactTextMatch', ['../classgmx_1_1test_1_1ExactTextMatch.xhtml', 1, 'gmx::test']]],\n     ['example_20code_20for_20writing_20trajectory_20analysis_20tools_493', ['Example code for writing trajectory analysis tools', ['../page_analysistemplate.xhtml', 1, 'page_trajectoryanalysisframework']]],\n     ['exception_494', ['exception', ['../structgmx__sel__lexer__t.xhtml#aea118239a16a6e34e2e1343f92f9801d', 1, 'gmx_sel_lexer_t']]],\n-    ['exceptioninfo_495', ['exceptioninfo', ['../classgmx_1_1ExceptionInfo.xhtml', 1, 'gmx::ExceptionInfo&lt; Tag, T &gt;'],\n-        ['../classgmx_1_1ExceptionInfo.xhtml#a652323df41a5349fcb46decb23e0bba7', 1, 'gmx::ExceptionInfo::ExceptionInfo()']\n+    ['exceptioninfo_495', ['exceptioninfo', ['../classgmx_1_1ExceptionInfo.xhtml#a652323df41a5349fcb46decb23e0bba7', 1, 'gmx::ExceptionInfo::ExceptionInfo()'],\n+        ['../classgmx_1_1ExceptionInfo.xhtml', 1, 'gmx::ExceptionInfo&lt; Tag, T &gt;']\n     ]],\n     ['exceptioninfoapifunction_496', ['ExceptionInfoApiFunction', ['../group__module__utility.xhtml#ga5893fea343e40ecb3dbd042155fae388', 1, 'gmx']]],\n     ['exceptioninfoerrno_497', ['ExceptionInfoErrno', ['../group__module__utility.xhtml#ga590b36651977793730ea2413906302cf', 1, 'gmx']]],\n     ['exceptioninfolocation_498', ['ExceptionInfoLocation', ['../group__module__utility.xhtml#gab5d3ee620090581599c5762270314897', 1, 'gmx']]],\n     ['exceptioninfomessage_499', ['ExceptionInfoMessage', ['../group__module__utility.xhtml#ga4ff0009992ade97951620b375e1a7af5', 1, 'gmx::anonymous_namespace{exceptions.cpp}']]],\n     ['exceptioninfonestedexceptions_500', ['ExceptionInfoNestedExceptions', ['../group__module__utility.xhtml#ga8182ab028054f3b799af9dcc6ce9846b', 1, 'gmx::anonymous_namespace{exceptions.cpp}']]],\n     ['exceptioninfopointer_501', ['ExceptionInfoPointer', ['../namespacegmx_1_1internal.xhtml#a8255fddd22431a907c2932b034f75023', 1, 'gmx::internal']]],\n     ['exceptioninitializer_502', ['exceptioninitializer', ['../classgmx_1_1ExceptionInitializer.xhtml', 1, 'gmx::ExceptionInitializer'],\n         ['../classgmx_1_1ExceptionInitializer.xhtml#ad1645743f96bbd521a597fafa4f2cd40', 1, 'gmx::ExceptionInitializer::ExceptionInitializer(const std::string &amp;reason)'],\n         ['../classgmx_1_1ExceptionInitializer.xhtml#aca7e4593be9acc279e638d5e7cf4c736', 1, 'gmx::ExceptionInitializer::ExceptionInitializer(const char *reason)']\n     ]],\n     ['exceptions_2ecpp_503', ['exceptions.cpp', ['../exceptions_8cpp.xhtml', 1, '']]],\n     ['exceptions_2eh_504', ['exceptions.h', ['../exceptions_8h.xhtml', 1, '']]],\n     ['exchangeinterval_505', ['exchangeInterval', ['../structReplicaExchangeParameters.xhtml#a07cd879748bf9d6d692677b73da60823', 1, 'ReplicaExchangeParameters']]],\n-    ['excl_506', ['excl', ['../structgmx_1_1nbnxn__cj__t.xhtml#a7ae906a5133dc9754b7504b373e0d370', 1, 'gmx::nbnxn_cj_t::excl'],\n+    ['excl_506', ['excl', ['../classgmx_1_1JClusterList.xhtml#a6684a2e612050f454d337e6e4d891141', 1, 'gmx::JClusterList::excl(int index)'],\n+        ['../classgmx_1_1JClusterList.xhtml#a4a4663ae714986383da5b520a450dd3d', 1, 'gmx::JClusterList::excl(int index) const'],\n         ['../classgmx_1_1GpuPairlist.xhtml#a4af3d5f5d90a73ffa0e27ee728be9e8b', 1, 'gmx::GpuPairlist::excl'],\n         ['../structthread__work__t.xhtml#ae6e8e9a64ab198e7c22f342197af2262', 1, 'thread_work_t::excl'],\n-        ['../classgmx_1_1JClusterList.xhtml#a6684a2e612050f454d337e6e4d891141', 1, 'gmx::JClusterList::excl(int index)'],\n-        ['../classgmx_1_1JClusterList.xhtml#a4a4663ae714986383da5b520a450dd3d', 1, 'gmx::JClusterList::excl(int index) const']\n+        ['../structgmx_1_1nbnxn__cj__t.xhtml#a7ae906a5133dc9754b7504b373e0d370', 1, 'gmx::nbnxn_cj_t::excl']\n     ]],\n     ['excl_5find_507', ['excl_ind', ['../structgmx_1_1nbnxn__im__ei__t.xhtml#a50575a41db75f9e68aff4bbbd948f055', 1, 'gmx::nbnxn_im_ei_t']]],\n     ['exclallocationsize_508', ['exclAllocationSize', ['../classgmx_1_1GpuPairlist.xhtml#a485c7783f81be0895c03bd3ea47ea179', 1, 'gmx::GpuPairlist']]],\n-    ['excls_509', ['excls', ['../structMoleculeInformation.xhtml#abb1787f57a40c9c95f9e588ff172840a', 1, 'MoleculeInformation::excls'],\n-        ['../structgmx_1_1BenchmarkSystem.xhtml#a91b38fd585be8224e25f794d9f84e54a', 1, 'gmx::BenchmarkSystem::excls'],\n-        ['../structgmx_1_1test_1_1TestSystem.xhtml#a8248301ec464baaf48857760538969b3', 1, 'gmx::test::TestSystem::excls'],\n+    ['excls_509', ['excls', ['../structgmx__localtop__t.xhtml#a65afa92f94cacdfbbd2ec64cec796d72', 1, 'gmx_localtop_t::excls'],\n         ['../structgmx__moltype__t.xhtml#ac4c788411616f802c2f65dca3822c682', 1, 'gmx_moltype_t::excls'],\n-        ['../structgmx__localtop__t.xhtml#a65afa92f94cacdfbbd2ec64cec796d72', 1, 'gmx_localtop_t::excls']\n+        ['../structgmx_1_1test_1_1TestSystem.xhtml#a8248301ec464baaf48857760538969b3', 1, 'gmx::test::TestSystem::excls'],\n+        ['../structgmx_1_1BenchmarkSystem.xhtml#a91b38fd585be8224e25f794d9f84e54a', 1, 'gmx::BenchmarkSystem::excls'],\n+        ['../structMoleculeInformation.xhtml#abb1787f57a40c9c95f9e588ff172840a', 1, 'MoleculeInformation::excls']\n     ]],\n     ['exclude_510', ['Exclude', ['../namespacegmx.xhtml#ad269e22f3416b5eda461e67d28d3e2a7a843f2812f595e7ec7c5036e89fde02d6', 1, 'gmx']]],\n     ['excludedataset_511', ['excludeDataset', ['../classgmx_1_1test_1_1AbstractTrajectoryAnalysisModuleTestFixture.xhtml#a4bdb53b62fb4d62baa359b60983cff2a', 1, 'gmx::test::AbstractTrajectoryAnalysisModuleTestFixture']]],\n     ['excludezerolimit_512', ['ExcludeZeroLimit', ['../namespacegmx.xhtml#a3212a8cb09c0c5bc8d2a2c9ec1a9cb8ea836e5124499a35faeed6072e0f66a818', 1, 'gmx']]],\n     ['exclusion_5ffilter_513', ['exclusion_filter', ['../structgmx_1_1nbnxn__atomdata__t_1_1SimdMasks.xhtml#ae233898f3dec2d88cbea79d3a3a7d3b1', 1, 'gmx::nbnxn_atomdata_t::SimdMasks']]],\n     ['exclusion_5ffilter64_514', ['exclusion_filter64', ['../structgmx_1_1nbnxn__atomdata__t_1_1SimdMasks.xhtml#ac10103363164731ebb6e15e66e93de41', 1, 'gmx::nbnxn_atomdata_t::SimdMasks']]],\n     ['exclusionblock_515', ['ExclusionBlock', ['../structgmx_1_1ExclusionBlock.xhtml', 1, 'gmx']]],\n@@ -887,34 +887,34 @@\n     ['exittype_5fabort_530', ['ExitType_Abort', ['../fatalerror_8h.xhtml#a0615ee27159b500bdb73bed3ee37027da2bb20172347e52b5ca938f644d70f899', 1, 'fatalerror.h']]],\n     ['exittype_5fcleanexit_531', ['ExitType_CleanExit', ['../fatalerror_8h.xhtml#a0615ee27159b500bdb73bed3ee37027da46635f0260592311e1eac4de3bef6394', 1, 'fatalerror.h']]],\n     ['exittype_5fnonmainabort_532', ['ExitType_NonMainAbort', ['../fatalerror_8h.xhtml#a0615ee27159b500bdb73bed3ee37027da04891e8ed993d8b37cfde715e74bf641', 1, 'fatalerror.h']]],\n     ['exitwhenmagicnumberisinvalid_533', ['exitWhenMagicNumberIsInvalid', ['../namespaceanonymous__namespace_02edsam_8cpp_03.xhtml#ad9b1028cd7c893f201139ddcec2b11ad', 1, 'anonymous_namespace{edsam.cpp}']]],\n     ['exp_534', ['exp', ['../namespacegmx.xhtml#a70905c614c3a1bb238913e8dbf6cdf85', 1, 'gmx::exp(double x)'],\n         ['../namespacegmx.xhtml#aa22dfb3027cee75bbc9686094f928050', 1, 'gmx::exp(float x)']\n     ]],\n-    ['exp2_535', ['exp2', ['../namespacegmx.xhtml#a32ee0155bc450db5b12eb105efce27df', 1, 'gmx::exp2(double x)'],\n-        ['../namespacegmx.xhtml#a643a4be46c81b885274394cd9ac1a30a', 1, 'gmx::exp2(float x)']\n+    ['exp2_535', ['exp2', ['../namespacegmx.xhtml#a643a4be46c81b885274394cd9ac1a30a', 1, 'gmx::exp2(float x)'],\n+        ['../namespacegmx.xhtml#a32ee0155bc450db5b12eb105efce27df', 1, 'gmx::exp2(double x)']\n     ]],\n     ['exp2singleaccuracy_536', ['exp2SingleAccuracy', ['../namespacegmx.xhtml#a119f14f4a364f71eb9273b5dd8c927cd', 1, 'gmx']]],\n     ['exp_5fmin_5ft_5ftau_537', ['exp_min_t_tau', ['../structt__oriresdata.xhtml#aafe5f0c9333cdecf519edcde680afa3e', 1, 't_oriresdata']]],\n     ['expanded_538', ['Expanded', ['../md__enums_8h.xhtml#ab1fce6aba35ca024e1ac818bdf1d5d15a63f6baf1d88963b8c8210751c8530e94', 1, 'md_enums.h']]],\n     ['expanded_2ecpp_539', ['expanded.cpp', ['../tests_2expanded_8cpp.xhtml', 1, '']]],\n     ['expanded_5finternal_2ecpp_540', ['expanded_internal.cpp', ['../expanded__internal_8cpp.xhtml', 1, '']]],\n     ['expanded_5finternal_2eh_541', ['expanded_internal.h', ['../expanded__internal_8h.xhtml', 1, '']]],\n     ['expandedensemble_542', ['ExpandedEnsemble', ['../namespacegmx.xhtml#a73202d646d57bcc963d8afd5a16015f0a19bd460326d41817323764fa9e4287ff', 1, 'gmx']]],\n     ['expandedensemble_2ecpp_543', ['expandedensemble.cpp', ['../expandedensemble_8cpp.xhtml', 1, '']]],\n-    ['expandedensembleelement_544', ['expandedensembleelement', ['../classgmx_1_1ExpandedEnsembleElement.xhtml', 1, 'gmx::ExpandedEnsembleElement'],\n-        ['../classgmx_1_1ExpandedEnsembleElement.xhtml#a28a58812b496f6d57198842a5f897485', 1, 'gmx::ExpandedEnsembleElement::ExpandedEnsembleElement()']\n+    ['expandedensembleelement_544', ['expandedensembleelement', ['../classgmx_1_1ExpandedEnsembleElement.xhtml#a28a58812b496f6d57198842a5f897485', 1, 'gmx::ExpandedEnsembleElement::ExpandedEnsembleElement()'],\n+        ['../classgmx_1_1ExpandedEnsembleElement.xhtml', 1, 'gmx::ExpandedEnsembleElement']\n     ]],\n     ['expandedensembleelement_2ecpp_545', ['expandedensembleelement.cpp', ['../expandedensembleelement_8cpp.xhtml', 1, '']]],\n     ['expandedensembleelement_2eh_546', ['expandedensembleelement.h', ['../expandedensembleelement_8h.xhtml', 1, '']]],\n     ['expandedensembletest_547', ['ExpandedEnsembleTest', ['../classgmx_1_1test_1_1anonymous__namespace_02expandedensemble_8cpp_03_1_1ExpandedEnsembleTest.xhtml', 1, 'gmx::test::anonymous_namespace{expandedensemble.cpp}']]],\n     ['expandedtopology_548', ['expandedTopology', ['../classgmx_1_1TopologyInformation.xhtml#a53216def7f7e33374ae297283ddb7103', 1, 'gmx::TopologyInformation']]],\n-    ['expandscalarstotriplets_549', ['expandscalarstotriplets', ['../group__module__simd.xhtml#gad8d730c26297155e1aa934c2bc91e750', 1, 'gmx::expandScalarsToTriplets(SimdDouble scalar, SimdDouble *triplets0, SimdDouble *triplets1, SimdDouble *triplets2)'],\n-        ['../group__module__simd.xhtml#ga82af54acc2b9eae6e58b646b5022aef5', 1, 'gmx::expandScalarsToTriplets(SimdFloat scalar, SimdFloat *triplets0, SimdFloat *triplets1, SimdFloat *triplets2)'],\n+    ['expandscalarstotriplets_549', ['expandscalarstotriplets', ['../group__module__simd.xhtml#ga82af54acc2b9eae6e58b646b5022aef5', 1, 'gmx::expandScalarsToTriplets(SimdFloat scalar, SimdFloat *triplets0, SimdFloat *triplets1, SimdFloat *triplets2)'],\n+        ['../group__module__simd.xhtml#gad8d730c26297155e1aa934c2bc91e750', 1, 'gmx::expandScalarsToTriplets(SimdDouble scalar, SimdDouble *triplets0, SimdDouble *triplets1, SimdDouble *triplets2)'],\n         ['../namespacegmx.xhtml#a6b19d8b9f07e36c8152b30d4b3caaad6', 1, 'gmx::expandScalarsToTriplets(float scalar, float *triplets0, float *triplets1, float *triplets2)'],\n         ['../namespacegmx.xhtml#af8a2ae7f742d7612f2808bfd39b0f975', 1, 'gmx::expandScalarsToTriplets(double scalar, double *triplets0, double *triplets1, double *triplets2)']\n     ]],\n     ['expandsimdoptionandpushback_550', ['expandSimdOptionAndPushBack', ['../namespacegmx.xhtml#a602b5898121222a96d3b40e512e2471a', 1, 'gmx']]],\n     ['expandvalueforpositions_551', ['expandValueForPositions', ['../namespaceanonymous__namespace_02evaluate_8cpp_03.xhtml#ad8f9ca6de604db20a911d836eb747778', 1, 'anonymous_namespace{evaluate.cpp}']]],\n     ['expandvector_552', ['expandVector', ['../group__module__options.xhtml#ga1f658c04b8319b831b5abe8e381dc13f', 1, 'anonymous_namespace{basicoptions.cpp}']]],\n     ['expect_5fdouble_5feq_5ftol_553', ['EXPECT_DOUBLE_EQ_TOL', ['../group__module__testutils.xhtml#ga4ca34636bd95cb3738291224d27e9649', 1, 'testasserts.h']]],\n@@ -933,40 +933,40 @@\n     ['expectnoentries_566', ['expectNoEntries', ['../classgmx_1_1test_1_1LoggerTestHelper.xhtml#ab37b82522f455fb9160bde3f1feb9c07', 1, 'gmx::test::LoggerTestHelper']]],\n     ['expects_567', ['Expects', ['../pointers_8h.xhtml#a128eed9cc242b5e850cf1391744bf099', 1, 'pointers.h']]],\n     ['expectvalidstreams_568', ['expectValidStreams', ['../namespacegmx_1_1test_1_1anonymous__namespace_02device__stream__manager_8cpp_03.xhtml#aa936e46ecfe3ed2d8bcab86c45c687a1', 1, 'gmx::test::anonymous_namespace{device_stream_manager.cpp}']]],\n     ['expfit_2ecpp_569', ['expfit.cpp', ['../tests_2expfit_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../expfit_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['expfit_2eh_570', ['expfit.h', ['../expfit_8h.xhtml', 1, '']]],\n-    ['exponentialdistribution_571', ['exponentialdistribution', ['../classgmx_1_1ExponentialDistribution.xhtml#ac05671078f935d10e725ea3a28e97892', 1, 'gmx::ExponentialDistribution::ExponentialDistribution(const param_type &amp;param)'],\n-        ['../classgmx_1_1ExponentialDistribution.xhtml#a5343846298b8a4472dca16925ecfea72', 1, 'gmx::ExponentialDistribution::ExponentialDistribution(result_type lambda=1.0)'],\n-        ['../classgmx_1_1ExponentialDistribution.xhtml', 1, 'gmx::ExponentialDistribution&lt; RealType &gt;']\n+    ['exponentialdistribution_571', ['exponentialdistribution', ['../classgmx_1_1ExponentialDistribution.xhtml#ac05671078f935d10e725ea3a28e97892', 1, 'gmx::ExponentialDistribution::ExponentialDistribution()'],\n+        ['../classgmx_1_1ExponentialDistribution.xhtml', 1, 'gmx::ExponentialDistribution&lt; RealType &gt;'],\n+        ['../classgmx_1_1ExponentialDistribution.xhtml#a5343846298b8a4472dca16925ecfea72', 1, 'gmx::ExponentialDistribution::ExponentialDistribution()']\n     ]],\n     ['exponentialdistribution_2ecpp_572', ['exponentialdistribution.cpp', ['../exponentialdistribution_8cpp.xhtml', 1, '']]],\n     ['exponentialdistribution_2eh_573', ['exponentialdistribution.h', ['../exponentialdistribution_8h.xhtml', 1, '']]],\n     ['exponentialmovingaverage_574', ['exponentialmovingaverage', ['../classgmx_1_1ExponentialMovingAverage.xhtml#a2c184672771f47615b67e3b72dd79423', 1, 'gmx::ExponentialMovingAverage::ExponentialMovingAverage()'],\n         ['../classgmx_1_1ExponentialMovingAverage.xhtml', 1, 'gmx::ExponentialMovingAverage']\n     ]],\n-    ['exponentialmovingaverage_2ecpp_575', ['exponentialmovingaverage.cpp', ['../exponentialmovingaverage_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2exponentialmovingaverage_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['exponentialmovingaverage_2ecpp_575', ['exponentialmovingaverage.cpp', ['../tests_2exponentialmovingaverage_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../exponentialmovingaverage_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['exponentialmovingaverage_2eh_576', ['exponentialmovingaverage.h', ['../exponentialmovingaverage_8h.xhtml', 1, '']]],\n     ['exponentialmovingaveragestate_577', ['ExponentialMovingAverageState', ['../structgmx_1_1ExponentialMovingAverageState.xhtml', 1, 'gmx']]],\n     ['exponentialmovingaveragestate_5f_578', ['exponentialMovingAverageState_', ['../structgmx_1_1DensityFittingForceProviderState.xhtml#a6f14bf9ea662f145cfa4cfc01b15bb97', 1, 'gmx::DensityFittingForceProviderState']]],\n     ['exponentialmovingaveragestateaskeyvaluetree_579', ['exponentialMovingAverageStateAsKeyValueTree', ['../namespacegmx.xhtml#a4fb56f226b415783122e3717d943e47e', 1, 'gmx']]],\n     ['exponentialmovingaveragestatefromkeyvaluetree_580', ['exponentialMovingAverageStateFromKeyValueTree', ['../namespacegmx.xhtml#a89ca8039bafc56d60c8bbce0d33960ae', 1, 'gmx']]],\n     ['exponentialmovingaveragestatename_5f_581', ['exponentialMovingAverageStateName_', ['../structgmx_1_1DensityFittingForceProviderState.xhtml#ad2650124e0f716fd6c9119f7d72efe0e', 1, 'gmx::DensityFittingForceProviderState']]],\n     ['exporthelp_582', ['exportHelp', ['../classgmx_1_1anonymous__namespace_02cmdlinehelpmodule_8cpp_03_1_1RootHelpTopic.xhtml#aaba76314773f5237155d1dbb8cac5119', 1, 'gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::RootHelpTopic']]],\n     ['exportmodulegroup_583', ['exportmodulegroup', ['../classgmx_1_1anonymous__namespace_02cmdlinehelpmodule_8cpp_03_1_1IHelpExport.xhtml#abc034447077075a849bb3d54c68f5ab4', 1, 'gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::IHelpExport::exportModuleGroup()'],\n         ['../classgmx_1_1anonymous__namespace_02cmdlinehelpmodule_8cpp_03_1_1HelpExportReStructuredText.xhtml#aea5e6168d251f13a66a760b83cae4532', 1, 'gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::HelpExportReStructuredText::exportModuleGroup()'],\n         ['../classgmx_1_1anonymous__namespace_02cmdlinehelpmodule_8cpp_03_1_1HelpExportCompletion.xhtml#a68e20b13c026872660502619604bb59e', 1, 'gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::HelpExportCompletion::exportModuleGroup()']\n     ]],\n-    ['exportmodulehelp_584', ['exportmodulehelp', ['../classgmx_1_1anonymous__namespace_02cmdlinehelpmodule_8cpp_03_1_1IHelpExport.xhtml#a59d32b9ce16f83ac1a6cd73f28335ad1', 1, 'gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::IHelpExport::exportModuleHelp()'],\n+    ['exportmodulehelp_584', ['exportmodulehelp', ['../classgmx_1_1anonymous__namespace_02cmdlinehelpmodule_8cpp_03_1_1HelpExportReStructuredText.xhtml#adeb369035b111925b96427a1bca05eed', 1, 'gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::HelpExportReStructuredText::exportModuleHelp()'],\n         ['../classgmx_1_1anonymous__namespace_02cmdlinehelpmodule_8cpp_03_1_1HelpExportCompletion.xhtml#a21f20a0154660bbdf5582ee3d3179c8c', 1, 'gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::HelpExportCompletion::exportModuleHelp()'],\n-        ['../classgmx_1_1anonymous__namespace_02cmdlinehelpmodule_8cpp_03_1_1HelpExportReStructuredText.xhtml#adeb369035b111925b96427a1bca05eed', 1, 'gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::HelpExportReStructuredText::exportModuleHelp()']\n+        ['../classgmx_1_1anonymous__namespace_02cmdlinehelpmodule_8cpp_03_1_1IHelpExport.xhtml#a59d32b9ce16f83ac1a6cd73f28335ad1', 1, 'gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::IHelpExport::exportModuleHelp(const ICommandLineModule &amp;module, const std::string &amp;tag, const std::string &amp;displayName)=0']\n     ]],\n     ['exporttopic_585', ['exporttopic', ['../classgmx_1_1anonymous__namespace_02cmdlinehelpmodule_8cpp_03_1_1IHelpExport.xhtml#a7e75e2ac885b55cb0abf221a1cb9026c', 1, 'gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::IHelpExport::exportTopic()'],\n         ['../classgmx_1_1anonymous__namespace_02cmdlinehelpmodule_8cpp_03_1_1HelpExportReStructuredText.xhtml#a97a8b0f7adf830711332cd74f837609f', 1, 'gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::HelpExportReStructuredText::exportTopic()'],\n         ['../classgmx_1_1anonymous__namespace_02cmdlinehelpmodule_8cpp_03_1_1HelpExportCompletion.xhtml#a1adc2670c9496de8730ec43402266148', 1, 'gmx::anonymous_namespace{cmdlinehelpmodule.cpp}::HelpExportCompletion::exportTopic()']\n     ]],\n     ['expr_586', ['expr', ['../classgmx_1_1SelectionTreeElement.xhtml#a2dbcd27c063161511f0fbb3159be2892', 1, 'gmx::SelectionTreeElement']]],\n     ['expr_5f_587', ['expr_', ['../classgmx_1_1SelectionParserValue.xhtml#a164e477ccf3a9e3e34f475955d50baf0', 1, 'gmx::SelectionParserValue']]],\n@@ -978,37 +978,37 @@\n     ['extendedinfo_593', ['extendedInfo', ['../classgmx_1_1BinaryInformationSettings.xhtml#a7588cafbe186b730dade6f39a7fadb3d', 1, 'gmx::BinaryInformationSettings']]],\n     ['extendstatewithorireshistory_594', ['extendStateWithOriresHistory', ['../orires_8h.xhtml#abe609db700113be61cf5c7c953d16e08', 1, 'orires.cpp']]],\n     ['extensible_20handling_20of_20options_20options_595', ['Extensible Handling of Options (options)', ['../group__module__options.xhtml', 1, '']]],\n     ['extension_596', ['extension', ['../group__module__options.xhtml#gadbc0d6c6ffd87739bffda9dbad2b7807', 1, 'gmx::anonymous_namespace{filenameoption.cpp}::FileTypeHandler']]],\n     ['extensioncount_597', ['extensionCount', ['../group__module__options.xhtml#gacbed62c27a99d7012e267bce0a3f45fa', 1, 'gmx::anonymous_namespace{filenameoption.cpp}::FileTypeHandler']]],\n     ['extensionlist_598', ['ExtensionList', ['../classgmx_1_1FileNameOptionInfo.xhtml#ab5850332153a77cfc9d71ef53f88ab48', 1, 'gmx::FileNameOptionInfo']]],\n     ['extensionmatches_599', ['extensionMatches', ['../namespacegmx.xhtml#a21630d4aafdf747ada5af390cb141b09', 1, 'gmx']]],\n-    ['extensions_600', ['extensions', ['../classgmx_1_1FileNameOptionStorage.xhtml#ac0e9b7e0838218982301a0d49498e264', 1, 'gmx::FileNameOptionStorage::extensions()'],\n-        ['../classgmx_1_1FileNameOptionInfo.xhtml#a526f1c597a6f30ba760f44e0108d5934', 1, 'gmx::FileNameOptionInfo::extensions()']\n+    ['extensions_600', ['extensions', ['../classgmx_1_1FileNameOptionInfo.xhtml#a526f1c597a6f30ba760f44e0108d5934', 1, 'gmx::FileNameOptionInfo::extensions()'],\n+        ['../classgmx_1_1FileNameOptionStorage.xhtml#ac0e9b7e0838218982301a0d49498e264', 1, 'gmx::FileNameOptionStorage::extensions()']\n     ]],\n     ['extensions_2ecpp_601', ['extensions.cpp', ['../extensions_8cpp.xhtml', 1, '']]],\n     ['extensions_2eh_602', ['extensions.h', ['../extensions_8h.xhtml', 1, '']]],\n-    ['extent_603', ['extent', ['../structgmx_1_1detail_1_1extents__analyse_3_01R_00_01E0_00_01StaticExtents_8_8_8_01_4.xhtml#a482b0b6e5c32d798157a61cebf4e822a', 1, 'gmx::detail::extents_analyse&lt; R, E0, StaticExtents... &gt;::extent()'],\n-        ['../classgmx_1_1basic__mdspan.xhtml#adcaa0b9237517fc31c05abadc313b805', 1, 'gmx::basic_mdspan::extent()'],\n+    ['extent_603', ['extent', ['../classgmx_1_1basic__mdspan.xhtml#adcaa0b9237517fc31c05abadc313b805', 1, 'gmx::basic_mdspan::extent()'],\n         ['../classgmx_1_1extents.xhtml#a979d42a99cfe44647fb153ef073f2ddd', 1, 'gmx::extents::extent()'],\n         ['../structgmx_1_1detail_1_1extents__analyse_3_010_01_4.xhtml#a949c6f584f61cdc38b33bff34e44a3e1', 1, 'gmx::detail::extents_analyse&lt; 0 &gt;::extent()'],\n         ['../structgmx_1_1detail_1_1extents__analyse_3_01R_00_01dynamic__extent_00_01StaticExtents_8_8_8_01_4.xhtml#aa8666a0ac33ee535d4d2db990a804597', 1, 'gmx::detail::extents_analyse&lt; R, dynamic_extent, StaticExtents... &gt;::extent()'],\n+        ['../structgmx_1_1detail_1_1extents__analyse_3_01R_00_01E0_00_01StaticExtents_8_8_8_01_4.xhtml#a482b0b6e5c32d798157a61cebf4e822a', 1, 'gmx::detail::extents_analyse&lt; R, E0, StaticExtents... &gt;::extent()'],\n         ['../classgmx_1_1MultiDimArray.xhtml#a878781d95354f045183c27ca3b250fb4', 1, 'gmx::MultiDimArray::extent()']\n     ]],\n     ['extent_5f_604', ['extent_', ['../structgmx_1_1MrcDensityMapHeader.xhtml#a2fa2c4bdc11be88792b5684b1d264bd3', 1, 'gmx::MrcDensityMapHeader']]],\n     ['extents_605', ['extents', ['../classgmx_1_1basic__mdspan.xhtml#a7345a7d3f8d3380fb49317bb7f0e9b5d', 1, 'gmx::basic_mdspan::extents()'],\n         ['../classgmx_1_1layout__right_1_1mapping.xhtml#a12e46550e4e8d0ddd5c14898ef6aa834', 1, 'gmx::layout_right::mapping::extents()'],\n-        ['../classgmx_1_1extents.xhtml#ac2307e44708200be2ce66d8f95e22252', 1, 'gmx::extents::extents(const extents &amp;) noexcept=default'],\n+        ['../classgmx_1_1extents.xhtml#a3415920ae2c957c25c2807a24229d74c', 1, 'gmx::extents::extents(std::ptrdiff_t dn, IndexType... DynamicExtents) noexcept'],\n         ['../classgmx_1_1extents.xhtml#aac5ba326e1762141b3aaf97801829522', 1, 'gmx::extents::extents(const std::array&lt; std::ptrdiff_t, extents_analyse_t::rank_dynamic()&gt; dynamic_extents) noexcept'],\n         ['../classgmx_1_1extents.xhtml', 1, 'gmx::extents&lt; StaticExtents &gt;'],\n         ['../classgmx_1_1extents.xhtml#aeb9f09d887c43356bf83b7f09fc28e9b', 1, 'gmx::extents::extents'],\n         ['../classgmx_1_1extents.xhtml#aa667dddb56abfbd4227a5c49320a69d7', 1, 'gmx::extents::extents() noexcept'],\n         ['../classgmx_1_1extents.xhtml#aebba30d1115771bb2089c6249ef5f82a', 1, 'gmx::extents::extents(const extents&lt; OtherStaticExtents... &gt; &amp;other)'],\n         ['../classgmx_1_1extents.xhtml#a849683cf10961cb759d793d10ee57805', 1, 'gmx::extents::extents(extents &amp;&amp;) noexcept=default'],\n-        ['../classgmx_1_1extents.xhtml#a3415920ae2c957c25c2807a24229d74c', 1, 'gmx::extents::extents(std::ptrdiff_t dn, IndexType... DynamicExtents) noexcept']\n+        ['../classgmx_1_1extents.xhtml#ac2307e44708200be2ce66d8f95e22252', 1, 'gmx::extents::extents(const extents &amp;) noexcept=default']\n     ]],\n     ['extents_2ecpp_606', ['extents.cpp', ['../extents_8cpp.xhtml', 1, '']]],\n     ['extents_2eh_607', ['extents.h', ['../extents_8h.xhtml', 1, '']]],\n     ['extents_3c_20dynamic_5fextent_2c_20dynamic_5fextent_2c_20dynamic_5fextent_20_3e_608', ['extents&lt; dynamic_extent, dynamic_extent, dynamic_extent &gt;', ['../classgmx_1_1extents.xhtml', 1, 'gmx']]],\n     ['extents_3c_20e_5fstatic_2e_2e_2e_20_3e_609', ['extents&lt; E_STATIC... &gt;', ['../classgmx_1_1extents.xhtml', 1, 'gmx']]],\n     ['extents_5fanalyse_610', ['extents_analyse', ['../structgmx_1_1detail_1_1extents__analyse_3_01R_00_01dynamic__extent_00_01StaticExtents_8_8_8_01_4.xhtml#a30a09ea2f5df8634615a6585c16db404', 1, 'gmx::detail::extents_analyse&lt; R, dynamic_extent, StaticExtents... &gt;::extents_analyse(std::ptrdiff_t E, DynamicExtents... de)'],\n         ['../structgmx_1_1detail_1_1extents__analyse_3_01R_00_01dynamic__extent_00_01StaticExtents_8_8_8_01_4.xhtml#a89a2576469f259399b57d3744fb2c8cf', 1, 'gmx::detail::extents_analyse&lt; R, dynamic_extent, StaticExtents... &gt;::extents_analyse(const std::array&lt; std::ptrdiff_t, Rank &gt; &amp;de, const std::size_t r)'],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_9.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_9.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -132,33 +132,33 @@\n     ['filematchers_2eh_84', ['filematchers.h', ['../filematchers_8h.xhtml', 1, '']]],\n     ['filemd5_2ecpp_85', ['filemd5.cpp', ['../filemd5_8cpp.xhtml', 1, '']]],\n     ['filename_86', ['filename', ['../structgmx_1_1test_1_1anonymous__namespace_02extract__cluster_8cpp_03_1_1ManualOutputFile.xhtml#a7277965d1f059e01d997e98b270af2bb', 1, 'gmx::test::anonymous_namespace{extract_cluster.cpp}::ManualOutputFile']]],\n     ['filenamelist_87', ['FileNameList', ['../classgmx_1_1test_1_1TestFileManager_1_1Impl.xhtml#a00100912857556c2a0467cd7e0591282', 1, 'gmx::test::TestFileManager::Impl']]],\n     ['filenameoption_88', ['filenameoption', ['../classgmx_1_1FileNameOption.xhtml', 1, 'gmx::FileNameOption'],\n         ['../classgmx_1_1FileNameOption.xhtml#a4057766b5851a4d02b3913f1984b3891', 1, 'gmx::FileNameOption::FileNameOption()']\n     ]],\n-    ['filenameoption_2ecpp_89', ['filenameoption.cpp', ['../filenameoption_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2filenameoption_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['filenameoption_2ecpp_89', ['filenameoption.cpp', ['../tests_2filenameoption_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../filenameoption_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['filenameoption_2eh_90', ['filenameoption.h', ['../filenameoption_8h.xhtml', 1, '']]],\n-    ['filenameoptioninfo_91', ['filenameoptioninfo', ['../classgmx_1_1FileNameOptionInfo.xhtml', 1, 'gmx::FileNameOptionInfo'],\n-        ['../classgmx_1_1FileNameOptionInfo.xhtml#a90b3bff35cc93cf1efeedb70532f9f87', 1, 'gmx::FileNameOptionInfo::FileNameOptionInfo()']\n+    ['filenameoptioninfo_91', ['filenameoptioninfo', ['../classgmx_1_1FileNameOptionInfo.xhtml#a90b3bff35cc93cf1efeedb70532f9f87', 1, 'gmx::FileNameOptionInfo::FileNameOptionInfo()'],\n+        ['../classgmx_1_1FileNameOptionInfo.xhtml', 1, 'gmx::FileNameOptionInfo']\n     ]],\n     ['filenameoptionmanager_92', ['FileNameOptionManager', ['../classgmx_1_1FileNameOptionManager.xhtml', 1, 'gmx']]],\n     ['filenameoptionmanager_2ecpp_93', ['filenameoptionmanager.cpp', ['../tests_2filenameoptionmanager_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../filenameoptionmanager_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['filenameoptionmanager_2eh_94', ['filenameoptionmanager.h', ['../filenameoptionmanager_8h.xhtml', 1, '']]],\n-    ['filenameoptionstorage_95', ['filenameoptionstorage', ['../classgmx_1_1FileNameOption.xhtml#a6d331375fa7933f89616320d8eca541a', 1, 'gmx::FileNameOption::FileNameOptionStorage'],\n-        ['../classgmx_1_1FileNameOptionStorage.xhtml#ae371defde227f55e1b6a4753301bcc5d', 1, 'gmx::FileNameOptionStorage::FileNameOptionStorage()'],\n+    ['filenameoptionstorage_95', ['filenameoptionstorage', ['../classgmx_1_1FileNameOptionStorage.xhtml#ae371defde227f55e1b6a4753301bcc5d', 1, 'gmx::FileNameOptionStorage::FileNameOptionStorage()'],\n+        ['../classgmx_1_1FileNameOption.xhtml#a6d331375fa7933f89616320d8eca541a', 1, 'gmx::FileNameOption::FileNameOptionStorage'],\n         ['../classgmx_1_1FileNameOptionStorage.xhtml', 1, 'gmx::FileNameOptionStorage']\n     ]],\n     ['filenameoptionstorage_2eh_96', ['filenameoptionstorage.h', ['../filenameoptionstorage_8h.xhtml', 1, '']]],\n-    ['filenames_97', ['filenames', ['../structt__filenm.xhtml#a22c974341584ea450fff878b56c94fb5', 1, 't_filenm::filenames'],\n-        ['../classgmx_1_1LegacyMdrunOptions.xhtml#ad47992ef4d71e8e86457d08c848086d3', 1, 'gmx::LegacyMdrunOptions::filenames'],\n+    ['filenames_97', ['filenames', ['../classgmx_1_1LegacyMdrunOptions.xhtml#ad47992ef4d71e8e86457d08c848086d3', 1, 'gmx::LegacyMdrunOptions::filenames'],\n+        ['../structt__filenm.xhtml#a22c974341584ea450fff878b56c94fb5', 1, 't_filenm::filenames'],\n         ['../classgmx_1_1LegacyInput.xhtml#aa04f9d2fe5eed622d5ca3caccde7af1d', 1, 'gmx::LegacyInput::filenames']\n     ]],\n     ['filenm_2ecpp_98', ['filenm.cpp', ['../tests_2filenm_8cpp.xhtml', 1, '']]],\n     ['filenm_2eh_99', ['filenm.h', ['../filenm_8h.xhtml', 1, '']]],\n     ['filenmtooptions_100', ['filenmToOptions', ['../classgmx_1_1anonymous__namespace_02pargs_8cpp_03_1_1OptionsAdapter.xhtml#ac1a3bfed6848a6f9cb6fa3d94f1f1823', 1, 'gmx::anonymous_namespace{pargs.cpp}::OptionsAdapter']]],\n     ['fileoptionflagsasstring_101', ['fileOptionFlagsAsString', ['../group__module__commandline.xhtml#ga154ea0c7090cb0af81ce284fcec7a65a', 1, 'gmx::anonymous_namespace{cmdlinehelpwriter.cpp}']]],\n     ['fileptr_102', ['FilePtr', ['../namespacegmx.xhtml#aa65a24af4ce301e20bbdc59e4df859e5', 1, 'gmx']]],\n@@ -169,16 +169,16 @@\n     ['files_5f_107', ['files_', ['../classgmx_1_1test_1_1TestFileManager_1_1Impl.xhtml#ae75836af2816dab131f5392dbcaae130', 1, 'gmx::test::TestFileManager::Impl']]],\n     ['filestream_2ecpp_108', ['filestream.cpp', ['../filestream_8cpp.xhtml', 1, '']]],\n     ['filestream_2eh_109', ['filestream.h', ['../filestream_8h.xhtml', 1, '']]],\n     ['filetype_110', ['filetype', ['../classgmx_1_1FileNameOption.xhtml#a87a724f8f040dc29668e33f39bb2d86b', 1, 'gmx::FileNameOption']]],\n     ['filetypehandler_111', ['filetypehandler', ['../group__module__options.xhtml#ga20dcd0d5550324aeeda083b2a8668738', 1, 'gmx::anonymous_namespace{filenameoption.cpp}::FileTypeHandler::FileTypeHandler()'],\n         ['../classgmx_1_1anonymous__namespace_02filenameoption_8cpp_03_1_1FileTypeHandler.xhtml', 1, 'gmx::anonymous_namespace{filenameoption.cpp}::FileTypeHandler']\n     ]],\n-    ['filetypes_112', ['filetypes', ['../classgmx_1_1FileNameOptionStorage.xhtml#a1b61c36814aad7322173285da5e37d1b', 1, 'gmx::FileNameOptionStorage::fileTypes()'],\n-        ['../classgmx_1_1FileNameOptionInfo.xhtml#a98a2d80a7a45e091f4c8e878c39b812e', 1, 'gmx::FileNameOptionInfo::fileTypes()']\n+    ['filetypes_112', ['filetypes', ['../classgmx_1_1FileNameOptionInfo.xhtml#a98a2d80a7a45e091f4c8e878c39b812e', 1, 'gmx::FileNameOptionInfo::fileTypes()'],\n+        ['../classgmx_1_1FileNameOptionStorage.xhtml#a1b61c36814aad7322173285da5e37d1b', 1, 'gmx::FileNameOptionStorage::fileTypes()']\n     ]],\n     ['filetypes_2ecpp_113', ['filetypes.cpp', ['../tests_2filetypes_8cpp.xhtml', 1, '']]],\n     ['fileversion_114', ['fileVersion', ['../structTpxFileHeader.xhtml#a232fb93201729fafbaed4bec99f6e0b4', 1, 'TpxFileHeader']]],\n     ['fill_115', ['fill', ['../classChainIdFiller.xhtml#af51fb0a017e609e0022b88f47046b6f6', 1, 'ChainIdFiller']]],\n     ['fill_5fheader_116', ['fill_header', ['../namespacegmx.xhtml#a7fa2cf8264f7ec7fcc97f67a5a9e3848', 1, 'gmx']]],\n     ['fillddfztabledata_117', ['fillDdfzTableData', ['../namespacegmx_1_1anonymous__namespace_02quadraticsplinetable_8cpp_03.xhtml#a705c3b5a5b17db1214fbb25535fa210b', 1, 'gmx::anonymous_namespace{quadraticsplinetable.cpp}']]],\n     ['fillexclusionblock_118', ['fillExclusionBlock', ['../namespacegmx_1_1testing_1_1anonymous__namespace_02exclusionblocks_8cpp_03.xhtml#a3f785f41f8e6dbcee50f12b57fc77fba', 1, 'gmx::testing::anonymous_namespace{exclusionblocks.cpp}']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_b.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_b.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -62,16 +62,16 @@\n     ['hardware_20taskassignment_44', ['Assigning simulation tasks to hardware (taskassignment)', ['../group__module__taskassignment.xhtml', 1, '']]],\n     ['hardwaredetectiontestparams_45', ['HardwareDetectionTestParams', ['../namespacegmx_1_1test_1_1anonymous__namespace_02mockhardwaretopology_8cpp_03.xhtml#a9f7fd9aa2aadb2fb12e381db86cf3753', 1, 'gmx::test::anonymous_namespace{mockhardwaretopology.cpp}']]],\n     ['hardwaretopology_46', ['hardwaretopology', ['../classgmx_1_1HardwareTopology.xhtml', 1, 'gmx::HardwareTopology'],\n         ['../classgmx_1_1HardwareTopology.xhtml#a524b02638d5644ffc59a0576364bcfa7', 1, 'gmx::HardwareTopology::HardwareTopology(int logicalProcessorCount)'],\n         ['../classgmx_1_1HardwareTopology.xhtml#aef31c2ebd09d5d67b1b981af385e0e62', 1, 'gmx::HardwareTopology::HardwareTopology(const std::map&lt; int, std::array&lt; int, 3 &gt; &gt; &amp;logicalProcessorIdMap, const std::string &amp;filesystemRoot)'],\n         ['../classgmx_1_1HardwareTopology.xhtml#a4d802133ee88be4fa18d0b76fdba0196', 1, 'gmx::HardwareTopology::HardwareTopology(const std::string &amp;filesystemRoot, const std::vector&lt; int &gt; &amp;allowedProcessors)']\n     ]],\n-    ['hardwaretopology_2ecpp_47', ['hardwaretopology.cpp', ['../hardwaretopology_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2hardwaretopology_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['hardwaretopology_2ecpp_47', ['hardwaretopology.cpp', ['../tests_2hardwaretopology_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../hardwaretopology_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['hardwaretopology_2eh_48', ['hardwaretopology.h', ['../hardwaretopology_8h.xhtml', 1, '']]],\n     ['hasall_49', ['hasAll', ['../structgmx_1_1SelectionTopologyProperties.xhtml#af8a7de4259caaa6fae5eb6e4fb12fbeb', 1, 'gmx::SelectionTopologyProperties']]],\n     ['hasany_50', ['hasAny', ['../structgmx_1_1SelectionTopologyProperties.xhtml#a8f3322ffdccb62ca531f8e9bf66cb4eb', 1, 'gmx::SelectionTopologyProperties']]],\n     ['hasbox_51', ['hasBox', ['../classgmx_1_1TrajectoryFrame.xhtml#a7460a889a7f6f45edb514dca72e984c7', 1, 'gmx::TrajectoryFrame']]],\n     ['hasbreaks_52', ['hasBreaks', ['../classgmx_1_1analysismodules_1_1anonymous__namespace_02dssp_8cpp_03_1_1SecondaryStructuresData.xhtml#a85b888a0425d0e7ea1a678bce38350a4', 1, 'gmx::analysismodules::anonymous_namespace{dssp.cpp}::SecondaryStructuresData']]],\n     ['hasbridges_53', ['hasBridges', ['../classgmx_1_1analysismodules_1_1anonymous__namespace_02dssp_8cpp_03_1_1SecondaryStructuresData.xhtml#a4bab808db0709f69205b569bcd4f3c6b', 1, 'gmx::analysismodules::anonymous_namespace{dssp.cpp}::SecondaryStructuresData']]],\n@@ -250,28 +250,28 @@\n     ['helpformat_2ecpp_184', ['helpformat.cpp', ['../helpformat_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2helpformat_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['helpformat_2eh_185', ['helpformat.h', ['../helpformat_8h.xhtml', 1, '']]],\n     ['helplinks_186', ['helplinks', ['../classgmx_1_1HelpLinks.xhtml', 1, 'gmx::HelpLinks'],\n         ['../classgmx_1_1HelpLinks.xhtml#a8be2854c046e14440fc5da7ebfb04767', 1, 'gmx::HelpLinks::HelpLinks()']\n     ]],\n-    ['helpmanager_187', ['helpmanager', ['../classgmx_1_1HelpManager.xhtml#a0578951cf2928a59819c0589065c4a5c', 1, 'gmx::HelpManager::HelpManager()'],\n-        ['../classgmx_1_1HelpManager.xhtml', 1, 'gmx::HelpManager']\n+    ['helpmanager_187', ['helpmanager', ['../classgmx_1_1HelpManager.xhtml', 1, 'gmx::HelpManager'],\n+        ['../classgmx_1_1HelpManager.xhtml#a0578951cf2928a59819c0589065c4a5c', 1, 'gmx::HelpManager::HelpManager()']\n     ]],\n-    ['helpmanager_2ecpp_188', ['helpmanager.cpp', ['../helpmanager_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2helpmanager_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['helpmanager_2ecpp_188', ['helpmanager.cpp', ['../tests_2helpmanager_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../helpmanager_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['helpmanager_2eh_189', ['helpmanager.h', ['../helpmanager_8h.xhtml', 1, '']]],\n     ['helpmanagertest_190', ['HelpManagerTest', ['../namespacegmx_1_1test_1_1anonymous__namespace_02helpmanager_8cpp_03.xhtml#af3f158bf9b2db55ac1e2a2a60f6ee995', 1, 'gmx::test::anonymous_namespace{helpmanager.cpp}']]],\n     ['helpmodule_5f_191', ['helpModule_', ['../classgmx_1_1CommandLineModuleManager_1_1Impl.xhtml#a8b5a1258815add1b14dca4d8ff8998c4', 1, 'gmx::CommandLineModuleManager::Impl']]],\n     ['helpoutputformat_192', ['HelpOutputFormat', ['../namespacegmx.xhtml#adc6936f6090da8e4cf7801c8e71ee37f', 1, 'gmx']]],\n-    ['helptext_193', ['helptext', ['../classgmx_1_1AbstractSimpleHelpTopic.xhtml#ac8df9bdad0655b933a63d4fcb84c3c90', 1, 'gmx::AbstractSimpleHelpTopic::helpText()'],\n-        ['../classgmx_1_1AbstractCompositeHelpTopic.xhtml#ab94bb5f1964de89ddb4da358aae48116', 1, 'gmx::AbstractCompositeHelpTopic::helpText()'],\n+    ['helptext_193', ['helptext', ['../classgmx_1_1CompositeHelpTopic.xhtml#a7452b0c48cc5fed19150f672bebf1646', 1, 'gmx::CompositeHelpTopic::helpText()'],\n         ['../classgmx_1_1anonymous__namespace_02selhelp_8cpp_03_1_1KeywordDetailsHelpTopic.xhtml#aa3cfab4bcc96ceda1c81456f1f6cbc3f', 1, 'gmx::anonymous_namespace{selhelp.cpp}::KeywordDetailsHelpTopic::helpText()'],\n-        ['../classgmx_1_1CompositeHelpTopic.xhtml#a7452b0c48cc5fed19150f672bebf1646', 1, 'gmx::CompositeHelpTopic::helpText()'],\n+        ['../classgmx_1_1AbstractSimpleHelpTopic.xhtml#ac8df9bdad0655b933a63d4fcb84c3c90', 1, 'gmx::AbstractSimpleHelpTopic::helpText()'],\n+        ['../classgmx_1_1AbstractCompositeHelpTopic.xhtml#ab94bb5f1964de89ddb4da358aae48116', 1, 'gmx::AbstractCompositeHelpTopic::helpText()'],\n         ['../classgmx_1_1SimpleHelpTopic.xhtml#a044e07745db4f94d13c1c99a7cfa7e31', 1, 'gmx::SimpleHelpTopic::helpText()']\n     ]],\n     ['helptext_5f_194', ['helpText_', ['../classgmx_1_1CommandLineHelpWriter_1_1Impl.xhtml#a111543ff6be5909585275501b8c1a041', 1, 'gmx::CommandLineHelpWriter::Impl']]],\n     ['helptitle_195', ['helpTitle', ['../structgmx__ana__selmethod__help__t.xhtml#a881ec7c346661f63a0f24ad1f543b671', 1, 'gmx_ana_selmethod_help_t']]],\n     ['helptitle_5fatomname_196', ['helptitle_atomname', ['../sm__simple_8cpp.xhtml#a72cbdfb8b248a4378d1a3ff247dfcf2a', 1, 'sm_simple.cpp']]],\n     ['helptitle_5fdistance_197', ['helptitle_distance', ['../sm__distance_8cpp.xhtml#ae4dcf55ca7cd7f92b81e9a57f8efb0c1', 1, 'sm_distance.cpp']]],\n     ['helptitle_5fmerge_198', ['helptitle_merge', ['../sm__merge_8cpp.xhtml#afffcc8309d2f125d594d806812208277', 1, 'sm_merge.cpp']]],\n@@ -321,16 +321,16 @@\n     ['histogramsize_2ecpp_225', ['histogramsize.cpp', ['../histogramsize_8cpp.xhtml', 1, '']]],\n     ['histogramsize_2eh_226', ['histogramsize.h', ['../histogramsize_8h.xhtml', 1, '']]],\n     ['history_5ft_227', ['history_t', ['../classhistory__t.xhtml', 1, '']]],\n     ['hostallocationpolicy_228', ['hostallocationpolicy', ['../classgmx_1_1HostAllocationPolicy.xhtml#ae21acc5cb9c70ea92fce07cb0d6e2947', 1, 'gmx::HostAllocationPolicy::HostAllocationPolicy()'],\n         ['../classgmx_1_1HostAllocationPolicy.xhtml', 1, 'gmx::HostAllocationPolicy']\n     ]],\n     ['hostallocator_229', ['HostAllocator', ['../namespacegmx.xhtml#aae347fd6abaab2e4d8278bf17973b664', 1, 'gmx']]],\n-    ['hostallocator_2ecpp_230', ['hostallocator.cpp', ['../tests_2hostallocator_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../hostallocator_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['hostallocator_2ecpp_230', ['hostallocator.cpp', ['../hostallocator_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2hostallocator_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['hostallocator_2eh_231', ['hostallocator.h', ['../hostallocator_8h.xhtml', 1, '']]],\n     ['hostallocatortest_232', ['HostAllocatorTest', ['../structgmx_1_1test_1_1HostAllocatorTest.xhtml', 1, 'gmx::test']]],\n     ['hostallocatortestcopyable_233', ['HostAllocatorTestCopyable', ['../namespacegmx_1_1test.xhtml#af4467ed419f6f86b5167681787e399a2', 1, 'gmx::test']]],\n     ['hostallocatortestnomem_234', ['HostAllocatorTestNoMem', ['../structgmx_1_1test_1_1HostAllocatorTestNoMem.xhtml', 1, 'gmx::test']]],\n     ['hostallocatortestnomemcopyable_235', ['HostAllocatorTestNoMemCopyable', ['../structgmx_1_1test_1_1HostAllocatorTestNoMemCopyable.xhtml', 1, 'gmx::test']]],\n     ['hostinteractionlist_236', ['HostInteractionList', ['../structgmx_1_1HostInteractionList.xhtml', 1, 'gmx']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_c.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_c.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -17,33 +17,33 @@\n     ['ibm_5fvmx_7', ['Ibm_Vmx', ['../classgmx_1_1CpuInfo.xhtml#ac8981fb299411577dccba90b335a9085a3f9726bfb19d56f774360782846dc77f', 1, 'gmx::CpuInfo']]],\n     ['ibm_5fvsx_8', ['ibm_vsx', ['../classgmx_1_1CpuInfo.xhtml#ac8981fb299411577dccba90b335a9085ae2817429950760b6f888ba6a8446fbf5', 1, 'gmx::CpuInfo::Ibm_Vsx'],\n         ['../namespacegmx.xhtml#aa9e7df55e017bd726d027d65551bbd0cae2817429950760b6f888ba6a8446fbf5', 1, 'gmx::Ibm_Vsx']\n     ]],\n     ['iboundingboxes_9', ['iBoundingBoxes', ['../classgmx_1_1Grid.xhtml#a87f30fcfe19f2ca46dfa1b01022cfa0e', 1, 'gmx::Grid']]],\n     ['ibuf_10', ['ibuf', ['../structgmx__domdec__specat__comm__t.xhtml#a36d1c0d8de4316bf2bff59153a1f6fd0', 1, 'gmx_domdec_specat_comm_t']]],\n     ['icheckpointhelperclient_11', ['ICheckpointHelperClient', ['../classgmx_1_1ICheckpointHelperClient.xhtml', 1, 'gmx']]],\n-    ['iclusterdata_12', ['iclusterdata', ['../structgmx_1_1NbnxmPairlistCpuWork.xhtml#afea3b79a3fe05a7e5d526bc64c7ff1be', 1, 'gmx::NbnxmPairlistCpuWork::iClusterData'],\n-        ['../structgmx_1_1NbnxmPairlistCpuWork_1_1IClusterData.xhtml', 1, 'gmx::NbnxmPairlistCpuWork::IClusterData']\n+    ['iclusterdata_12', ['iclusterdata', ['../structgmx_1_1NbnxmPairlistCpuWork_1_1IClusterData.xhtml', 1, 'gmx::NbnxmPairlistCpuWork::IClusterData'],\n+        ['../structgmx_1_1NbnxmPairlistCpuWork.xhtml#afea3b79a3fe05a7e5d526bc64c7ff1be', 1, 'gmx::NbnxmPairlistCpuWork::iClusterData']\n     ]],\n     ['iclustersizeperlisttype_13', ['IClusterSizePerListType', ['../namespacegmx.xhtml#a99b3d22e099bc359f1328352a68e7539', 1, 'gmx']]],\n     ['icommandlinemodule_14', ['ICommandLineModule', ['../classgmx_1_1ICommandLineModule.xhtml', 1, 'gmx']]],\n     ['icommandlineoptionsmodule_15', ['ICommandLineOptionsModule', ['../classgmx_1_1ICommandLineOptionsModule.xhtml', 1, 'gmx']]],\n     ['icommandlineoptionsmodulepointer_16', ['ICommandLineOptionsModulePointer', ['../namespacegmx.xhtml#a682ce4a779fde44ee633b8648eeafe87', 1, 'gmx']]],\n     ['icommandlineoptionsmodulesettings_17', ['ICommandLineOptionsModuleSettings', ['../classgmx_1_1ICommandLineOptionsModuleSettings.xhtml', 1, 'gmx']]],\n     ['id_18', ['id', ['../structgmx_1_1HardwareTopology_1_1ProcessingUnit.xhtml#aec42b65b2d21b58f6bd27ff19205a538', 1, 'gmx::HardwareTopology::ProcessingUnit::id'],\n         ['../structgmx_1_1HardwareTopology_1_1Core.xhtml#a8e9bad14d30ae3f81b8cc13b750c2176', 1, 'gmx::HardwareTopology::Core::id'],\n         ['../structgmx_1_1HardwareTopology_1_1Package.xhtml#a8a3df986a213d53070f5750b8e1738a1', 1, 'gmx::HardwareTopology::Package::id'],\n-        ['../classgmx_1_1test_1_1TestDevice.xhtml#a842bd593d3c47d3522470a3be45a862d', 1, 'gmx::test::TestDevice::id()'],\n         ['../structgmx_1_1HardwareTopology_1_1NumaNode.xhtml#a1042d00c9db62e9d8f22a63403372acb', 1, 'gmx::HardwareTopology::NumaNode::id'],\n         ['../classgmx_1_1SelectionTreeElement.xhtml#a46dfcd0739945171790e29857f14ce0a', 1, 'gmx::SelectionTreeElement::id'],\n+        ['../classgmx_1_1test_1_1TestDevice.xhtml#a842bd593d3c47d3522470a3be45a862d', 1, 'gmx::test::TestDevice::id()'],\n         ['../structDeviceInformation.xhtml#aef9ad6fdaf54d7176c07482afc323dbf', 1, 'DeviceInformation::id']\n     ]],\n     ['idealweighthistupdate_19', ['idealWeighthistUpdate', ['../classgmx_1_1BiasParams.xhtml#afb2dc471a03d8f74ec34f583910abd2a', 1, 'gmx::BiasParams']]],\n-    ['idef_20', ['idef', ['../structthread__work__t.xhtml#a5d30701a3c72c500069bc8e9e110c076', 1, 'thread_work_t::idef'],\n-        ['../structgmx__localtop__t.xhtml#af5ed39749ac3708c36eed4209736cce2', 1, 'gmx_localtop_t::idef']\n+    ['idef_20', ['idef', ['../structgmx__localtop__t.xhtml#af5ed39749ac3708c36eed4209736cce2', 1, 'gmx_localtop_t::idef'],\n+        ['../structthread__work__t.xhtml#a5d30701a3c72c500069bc8e9e110c076', 1, 'thread_work_t::idef']\n     ]],\n     ['idef_2ecpp_21', ['idef.cpp', ['../tests_2idef_8cpp.xhtml', 1, '']]],\n     ['idef_2eh_22', ['idef.h', ['../idef_8h.xhtml', 1, '']]],\n     ['identifyavx512fmaunits_23', ['identifyAvx512FmaUnits', ['../namespacegmx.xhtml#a6edee513f8fdeaffb9094124f58ba270', 1, 'gmx']]],\n     ['identifyavx512fmaunits_2ecpp_24', ['identifyavx512fmaunits.cpp', ['../identifyavx512fmaunits_8cpp.xhtml', 1, '']]],\n     ['identifyavx512fmaunits_2eh_25', ['identifyavx512fmaunits.h', ['../identifyavx512fmaunits_8h.xhtml', 1, '']]],\n     ['identityformatter_26', ['IdentityFormatter', ['../classgmx_1_1IdentityFormatter.xhtml', 1, 'gmx']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_f.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_f.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -323,36 +323,36 @@\n     ['loadu_229', ['loadU', ['../namespacegmx.xhtml#a6109fa6f9e2a3ab52d681c1d65999049', 1, 'gmx']]],\n     ['loadu1dualhsimd_230', ['loadu1dualhsimd', ['../group__module__simd.xhtml#ga037b15ee8ff585453423ae4c8e061d7c', 1, 'gmx::loadU1DualHsimd(const double *m)'],\n         ['../group__module__simd.xhtml#gab2f2cb5527d6f6dcdefbec1592207da5', 1, 'gmx::loadU1DualHsimd(const float *m)']\n     ]],\n     ['loadu4noffset_231', ['loadu4noffset', ['../group__module__simd.xhtml#gab1a44fb0caec534f45b42611ca598b3a', 1, 'gmx::loadU4NOffset(const double *m, int offset)'],\n         ['../group__module__simd.xhtml#ga5d2166ee15a19367373fdbe5ca180dc4', 1, 'gmx::loadU4NOffset(const float *m, int offset)']\n     ]],\n-    ['loadunduplicate4_232', ['loadunduplicate4', ['../group__module__simd.xhtml#ga2c940b444e69a8b8ace1f4edb676712b', 1, 'gmx::loadUNDuplicate4(const float *m)'],\n-        ['../group__module__simd.xhtml#ga48240220eea9e0812731ec802ffec596', 1, 'gmx::loadUNDuplicate4(const double *m)']\n+    ['loadunduplicate4_232', ['loadunduplicate4', ['../group__module__simd.xhtml#ga48240220eea9e0812731ec802ffec596', 1, 'gmx::loadUNDuplicate4(const double *m)'],\n+        ['../group__module__simd.xhtml#ga2c940b444e69a8b8ace1f4edb676712b', 1, 'gmx::loadUNDuplicate4(const float *m)']\n     ]],\n-    ['local_233', ['local', ['../structAtomIndexSet.xhtml#afff60fdcd71337e0d1741f135dd914d9', 1, 'AtomIndexSet::local'],\n-        ['../namespacegmx.xhtml#a8593d10460a38e0d418692d63f962521a509820290d57f333403f490dde7316f4', 1, 'gmx::Local'],\n-        ['../namespacegmx.xhtml#a84de1dccdfb142b80c42b0b19f8c6548a509820290d57f333403f490dde7316f4', 1, 'gmx::Local']\n+    ['local_233', ['local', ['../namespacegmx.xhtml#a8593d10460a38e0d418692d63f962521a509820290d57f333403f490dde7316f4', 1, 'gmx::Local'],\n+        ['../namespacegmx.xhtml#a84de1dccdfb142b80c42b0b19f8c6548a509820290d57f333403f490dde7316f4', 1, 'gmx::Local'],\n+        ['../structAtomIndexSet.xhtml#afff60fdcd71337e0d1741f135dd914d9', 1, 'AtomIndexSet::local']\n     ]],\n     ['localatomordermatchesnbnxmorder_234', ['localatomordermatchesnbnxmorder', ['../classgmx_1_1GridSet.xhtml#a9836c0e4b9182d580e946598f18f3c7f', 1, 'gmx::GridSet::localAtomOrderMatchesNbnxmOrder()'],\n         ['../structgmx_1_1nonbonded__verlet__t.xhtml#a83d8dac6f717c789f5810ef21cb0c176', 1, 'gmx::nonbonded_verlet_t::localAtomOrderMatchesNbnxmOrder()']\n     ]],\n     ['localatomset_235', ['localatomset', ['../classgmx_1_1LocalAtomSet.xhtml', 1, 'gmx::LocalAtomSet'],\n         ['../classgmx_1_1anonymous__namespace_02densityfitting_8cpp_03_1_1DensityFittingSimulationParameterSetup.xhtml#a188c5386f2eb694db6cedf88359fa41d', 1, 'gmx::anonymous_namespace{densityfitting.cpp}::DensityFittingSimulationParameterSetup::localAtomSet()']\n     ]],\n     ['localatomset_2ecpp_236', ['localatomset.cpp', ['../localatomset_8cpp.xhtml', 1, '']]],\n     ['localatomset_2eh_237', ['localatomset.h', ['../localatomset_8h.xhtml', 1, '']]],\n     ['localatomsetdata_2ecpp_238', ['localatomsetdata.cpp', ['../localatomsetdata_8cpp.xhtml', 1, '']]],\n     ['localatomsetdata_2eh_239', ['localatomsetdata.h', ['../localatomsetdata_8h.xhtml', 1, '']]],\n     ['localatomsetmanager_240', ['localatomsetmanager', ['../classgmx_1_1LocalAtomSetManager.xhtml', 1, 'gmx::LocalAtomSetManager'],\n         ['../classgmx_1_1ColvarsSimulationsParameters.xhtml#a34afd04735705f6200b8ae831dd1d458', 1, 'gmx::ColvarsSimulationsParameters::localAtomSetManager()']\n     ]],\n-    ['localatomsetmanager_2ecpp_241', ['localatomsetmanager.cpp', ['../localatomsetmanager_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2localatomsetmanager_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['localatomsetmanager_2ecpp_241', ['localatomsetmanager.cpp', ['../tests_2localatomsetmanager_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../localatomsetmanager_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['localatomsetmanager_2eh_242', ['localatomsetmanager.h', ['../localatomsetmanager_8h.xhtml', 1, '']]],\n     ['localcomplexgridsize_243', ['localComplexGridSize', ['../structPmeGpuGridParams.xhtml#aa89412c89b24d489e7b1e2a7429372ee', 1, 'PmeGpuGridParams']]],\n     ['localcomplexgridsizepadded_244', ['localComplexGridSizePadded', ['../structPmeGpuGridParams.xhtml#a94db264056f3f813dd3c2400f2a01583', 1, 'PmeGpuGridParams']]],\n     ['localforceptr_245', ['localForcePtr', ['../structgmx_1_1PpForceCommManager.xhtml#a694fd2c44f7e429a3115a9269a64d5f7', 1, 'gmx::PpForceCommManager']]],\n     ['localindex_246', ['localIndex', ['../classgmx_1_1LocalAtomSet.xhtml#a1a9f534d6e92a54e0e818d058d81f68d', 1, 'gmx::LocalAtomSet']]],\n     ['locality_2eh_247', ['locality.h', ['../locality_8h.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_0.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_0.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -5,22 +5,22 @@\n     ['abstractoption_2eh_3', ['abstractoption.h', ['../abstractoption_8h.xhtml', 1, '']]],\n     ['abstractoptionstorage_2ecpp_4', ['abstractoptionstorage.cpp', ['../abstractoptionstorage_8cpp.xhtml', 1, '']]],\n     ['abstractoptionstorage_2eh_5', ['abstractoptionstorage.h', ['../abstractoptionstorage_8h.xhtml', 1, '']]],\n     ['abstractsection_2ecpp_6', ['abstractsection.cpp', ['../abstractsection_8cpp.xhtml', 1, '']]],\n     ['abstractsection_2eh_7', ['abstractsection.h', ['../abstractsection_8h.xhtml', 1, '']]],\n     ['accessor_5fpolicy_2ecpp_8', ['accessor_policy.cpp', ['../accessor__policy_8cpp.xhtml', 1, '']]],\n     ['accessor_5fpolicy_2eh_9', ['accessor_policy.h', ['../accessor__policy_8h.xhtml', 1, '']]],\n-    ['alignedallocator_2ecpp_10', ['alignedallocator.cpp', ['../tests_2alignedallocator_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../alignedallocator_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['alignedallocator_2ecpp_10', ['alignedallocator.cpp', ['../alignedallocator_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2alignedallocator_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['alignedallocator_2eh_11', ['alignedallocator.h', ['../alignedallocator_8h.xhtml', 1, '']]],\n     ['alignedallocator_5fimpl_2eh_12', ['alignedallocator_impl.h', ['../alignedallocator__impl_8h.xhtml', 1, '']]],\n     ['allocator_2eh_13', ['allocator.h', ['../allocator_8h.xhtml', 1, '']]],\n-    ['analysisdata_2ecpp_14', ['analysisdata.cpp', ['../analysisdata_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2analysisdata_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['analysisdata_2ecpp_14', ['analysisdata.cpp', ['../tests_2analysisdata_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../analysisdata_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['analysisdata_2eh_15', ['analysisdata.h', ['../analysisdata_8h.xhtml', 1, '']]],\n     ['analysismodule_2ecpp_16', ['analysismodule.cpp', ['../analysismodule_8cpp.xhtml', 1, '']]],\n     ['analysismodule_2eh_17', ['analysismodule.h', ['../api_2legacy_2include_2gromacs_2trajectoryanalysis_2analysismodule_8h.xhtml', 1, '(Global Namespace)'],\n         ['../src_2gromacs_2energyanalysis_2analysismodule_8h.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['analysissettings_2ecpp_18', ['analysissettings.cpp', ['../analysissettings_8cpp.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_1.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_1.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -26,20 +26,20 @@\n     ['biasstate_2eh_24', ['biasstate.h', ['../biasstate_8h.xhtml', 1, '']]],\n     ['biaswriter_2eh_25', ['biaswriter.h', ['../biaswriter_8h.xhtml', 1, '']]],\n     ['binaryinformation_2ecpp_26', ['binaryinformation.cpp', ['../binaryinformation_8cpp.xhtml', 1, '']]],\n     ['binaryinformation_2eh_27', ['binaryinformation.h', ['../binaryinformation_8h.xhtml', 1, '']]],\n     ['bitmask_2eh_28', ['bitmask.h', ['../include_2gromacs_2utility_2bitmask_8h.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2bitmask_8h.xhtml', 1, '(Global Namespace)']\n     ]],\n-    ['bonded_2ecpp_29', ['bonded.cpp', ['../bonded_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2bonded_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['bonded_2ecpp_29', ['bonded.cpp', ['../tests_2bonded_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../bonded_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['bonded_2eh_30', ['bonded.h', ['../bonded_8h.xhtml', 1, '']]],\n-    ['booltype_2ecpp_31', ['booltype.cpp', ['../booltype_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2booltype_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['booltype_2ecpp_31', ['booltype.cpp', ['../tests_2booltype_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../booltype_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['booltype_2eh_32', ['booltype.h', ['../booltype_8h.xhtml', 1, '']]],\n     ['bootstrap_5floadstore_2ecpp_33', ['bootstrap_loadstore.cpp', ['../bootstrap__loadstore_8cpp.xhtml', 1, '']]],\n     ['boundingbox_2eh_34', ['boundingbox.h', ['../boundingbox_8h.xhtml', 1, '']]],\n     ['boundingbox_5fsimd_2eh_35', ['boundingbox_simd.h', ['../boundingbox__simd_8h.xhtml', 1, '']]],\n     ['boundingboxdistance_2eh_36', ['boundingboxdistance.h', ['../boundingboxdistance_8h.xhtml', 1, '']]],\n     ['box_2ecpp_37', ['box.cpp', ['../box_8cpp.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_10.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_10.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -29,19 +29,19 @@\n         ['../gromacs_2mdrun_2replicaexchange_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['replicaexchange_2eh_23', ['replicaexchange.h', ['../replicaexchange_8h.xhtml', 1, '']]],\n     ['replicaexchange_5fequivalence_2ecpp_24', ['replicaexchange_equivalence.cpp', ['../replicaexchange__equivalence_8cpp.xhtml', 1, '']]],\n     ['report_5fmethods_2ecpp_25', ['report_methods.cpp', ['../tests_2report__methods_8cpp.xhtml', 1, '']]],\n     ['reportgpuusage_2ecpp_26', ['reportgpuusage.cpp', ['../reportgpuusage_8cpp.xhtml', 1, '']]],\n     ['reportgpuusage_2eh_27', ['reportgpuusage.h', ['../reportgpuusage_8h.xhtml', 1, '']]],\n-    ['requirements_2ecpp_28', ['requirements.cpp', ['../requirements_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2requirements_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['requirements_2ecpp_28', ['requirements.cpp', ['../tests_2requirements_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../requirements_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n-    ['requirements_2eh_29', ['requirements.h', ['../tests_2requirements_8h.xhtml', 1, '(Global Namespace)'],\n-        ['../requirements_8h.xhtml', 1, '(Global Namespace)']\n+    ['requirements_2eh_29', ['requirements.h', ['../requirements_8h.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2requirements_8h.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['rerun_2ecpp_30', ['rerun.cpp', ['../programs_2mdrun_2tests_2rerun_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../gromacs_2mdrun_2rerun_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['resall_2eh_31', ['resall.h', ['../resall_8h.xhtml', 1, '']]],\n     ['resethandler_2ecpp_32', ['resethandler.cpp', ['../resethandler_8cpp.xhtml', 1, '']]],\n     ['resethandler_2eh_33', ['resethandler.h', ['../resethandler_8h.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_11.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_11.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -63,16 +63,16 @@\n     ['setbothtime_2ecpp_49', ['setbothtime.cpp', ['../setbothtime_8cpp.xhtml', 1, '']]],\n     ['setbox_2eh_50', ['setbox.h', ['../setbox_8h.xhtml', 1, '']]],\n     ['setenv_2eh_51', ['setenv.h', ['../setenv_8h.xhtml', 1, '']]],\n     ['setforces_2ecpp_52', ['setforces.cpp', ['../setforces_8cpp.xhtml', 1, '']]],\n     ['setforces_2eh_53', ['setforces.h', ['../setforces_8h.xhtml', 1, '']]],\n     ['setprecision_2ecpp_54', ['setprecision.cpp', ['../setprecision_8cpp.xhtml', 1, '']]],\n     ['setprecision_2eh_55', ['setprecision.h', ['../setprecision_8h.xhtml', 1, '']]],\n-    ['setstarttime_2ecpp_56', ['setstarttime.cpp', ['../tests_2setstarttime_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../outputadapters_2setstarttime_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['setstarttime_2ecpp_56', ['setstarttime.cpp', ['../outputadapters_2setstarttime_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2setstarttime_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['setstarttime_2eh_57', ['setstarttime.h', ['../setstarttime_8h.xhtml', 1, '']]],\n     ['settimestep_2ecpp_58', ['settimestep.cpp', ['../outputadapters_2settimestep_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2settimestep_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['settimestep_2eh_59', ['settimestep.h', ['../settimestep_8h.xhtml', 1, '']]],\n     ['settle_2ecpp_60', ['settle.cpp', ['../tests_2settle_8cpp.xhtml', 1, '(Global Namespace)'],\n@@ -92,16 +92,16 @@\n     ['setvelocities_2eh_72', ['setvelocities.h', ['../setvelocities_8h.xhtml', 1, '']]],\n     ['shake_2ecpp_73', ['shake.cpp', ['../shake_8cpp.xhtml', 1, '']]],\n     ['shake_2eh_74', ['shake.h', ['../shake_8h.xhtml', 1, '']]],\n     ['shellcompletions_2ecpp_75', ['shellcompletions.cpp', ['../shellcompletions_8cpp.xhtml', 1, '']]],\n     ['shellcompletions_2eh_76', ['shellcompletions.h', ['../shellcompletions_8h.xhtml', 1, '']]],\n     ['signallers_2ecpp_77', ['signallers.cpp', ['../signallers_8cpp.xhtml', 1, '']]],\n     ['signallers_2eh_78', ['signallers.h', ['../signallers_8h.xhtml', 1, '']]],\n-    ['simd_2eh_79', ['simd.h', ['../tests_2simd_8h.xhtml', 1, '(Global Namespace)'],\n-        ['../include_2gromacs_2simd_2simd_8h.xhtml', 1, '(Global Namespace)']\n+    ['simd_2eh_79', ['simd.h', ['../include_2gromacs_2simd_2simd_8h.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2simd_8h.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['simd4_2eh_80', ['simd4.h', ['../simd4_8h.xhtml', 1, '']]],\n     ['simd_5fenergy_5faccumulator_2ecpp_81', ['simd_energy_accumulator.cpp', ['../tests_2simd__energy__accumulator_8cpp.xhtml', 1, '']]],\n     ['simd_5fkernel_2eh_82', ['simd_kernel.h', ['../simd__kernel_8h.xhtml', 1, '']]],\n     ['simd_5fload_5fstore_5ffunctions_2eh_83', ['simd_load_store_functions.h', ['../simd__load__store__functions_8h.xhtml', 1, '']]],\n     ['simd_5fmath_2eh_84', ['simd_math.h', ['../simd__math_8h.xhtml', 1, '']]],\n     ['simd_5fmemory_2ecpp_85', ['simd_memory.cpp', ['../simd__memory_8cpp.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_13.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_13.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -20,11 +20,11 @@\n         ['../usergpuids_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['usergpuids_2eh_18', ['usergpuids.h', ['../usergpuids_8h.xhtml', 1, '']]],\n     ['utilities_2eh_19', ['utilities.h', ['../src_2gromacs_2mimic_2utilities_8h.xhtml', 1, '(Global Namespace)'],\n         ['../src_2gromacs_2listed__forces_2utilities_8h.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['utility_2ecpp_20', ['utility.cpp', ['../utility_8cpp.xhtml', 1, '']]],\n-    ['utility_2eh_21', ['utility.h', ['../utility_8h.xhtml', 1, '(Global Namespace)'],\n-        ['../domdec_2utility_8h.xhtml', 1, '(Global Namespace)']\n+    ['utility_2eh_21', ['utility.h', ['../domdec_2utility_8h.xhtml', 1, '(Global Namespace)'],\n+        ['../utility_8h.xhtml', 1, '(Global Namespace)']\n     ]]\n ];\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_2.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_2.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -47,16 +47,16 @@\n         ['../tests_2cmdlineparser_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['cmdlineparser_2eh_35', ['cmdlineparser.h', ['../cmdlineparser_8h.xhtml', 1, '']]],\n     ['cmdlineprogramcontext_2ecpp_36', ['cmdlineprogramcontext.cpp', ['../cmdlineprogramcontext_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2cmdlineprogramcontext_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['cmdlineprogramcontext_2eh_37', ['cmdlineprogramcontext.h', ['../cmdlineprogramcontext_8h.xhtml', 1, '']]],\n-    ['cmdlinerunner_2ecpp_38', ['cmdlinerunner.cpp', ['../tests_2cmdlinerunner_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../cmdlinerunner_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['cmdlinerunner_2ecpp_38', ['cmdlinerunner.cpp', ['../cmdlinerunner_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2cmdlinerunner_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['cmdlinerunner_2eh_39', ['cmdlinerunner.h', ['../cmdlinerunner_8h.xhtml', 1, '']]],\n     ['cmdlinetest_2ecpp_40', ['cmdlinetest.cpp', ['../cmdlinetest_8cpp.xhtml', 1, '']]],\n     ['cmdlinetest_2eh_41', ['cmdlinetest.h', ['../cmdlinetest_8h.xhtml', 1, '']]],\n     ['collect_2eh_42', ['collect.h', ['../collect_8h.xhtml', 1, '']]],\n     ['colvarproxy_5fgromacs_5fversion_2eh_43', ['colvarproxy_gromacs_version.h', ['../colvarproxy__gromacs__version_8h.xhtml', 1, '']]],\n     ['colvarproxygromacs_2ecpp_44', ['colvarproxygromacs.cpp', ['../colvarproxygromacs_8cpp.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_3.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_3.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -20,27 +20,27 @@\n     ['decidesimulationworkload_2eh_18', ['decidesimulationworkload.h', ['../decidesimulationworkload_8h.xhtml', 1, '']]],\n     ['defaultinitializationallocator_2ecpp_19', ['defaultinitializationallocator.cpp', ['../defaultinitializationallocator_8cpp.xhtml', 1, '']]],\n     ['defaultinitializationallocator_2eh_20', ['defaultinitializationallocator.h', ['../defaultinitializationallocator_8h.xhtml', 1, '']]],\n     ['densityfit_2ecpp_21', ['densityfit.cpp', ['../densityfit_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2densityfit_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['densityfit_2eh_22', ['densityfit.h', ['../densityfit_8h.xhtml', 1, '']]],\n-    ['densityfitting_2ecpp_23', ['densityfitting.cpp', ['../densityfitting_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2densityfitting_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['densityfitting_2ecpp_23', ['densityfitting.cpp', ['../tests_2densityfitting_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../densityfitting_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n-    ['densityfittingamplitudelookup_2ecpp_24', ['densityfittingamplitudelookup.cpp', ['../densityfittingamplitudelookup_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2densityfittingamplitudelookup_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['densityfittingamplitudelookup_2ecpp_24', ['densityfittingamplitudelookup.cpp', ['../tests_2densityfittingamplitudelookup_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../densityfittingamplitudelookup_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['densityfittingamplitudelookup_2eh_25', ['densityfittingamplitudelookup.h', ['../densityfittingamplitudelookup_8h.xhtml', 1, '']]],\n     ['densityfittingforce_2ecpp_26', ['densityfittingforce.cpp', ['../densityfittingforce_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2densityfittingforce_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['densityfittingforce_2eh_27', ['densityfittingforce.h', ['../densityfittingforce_8h.xhtml', 1, '']]],\n-    ['densityfittingforceprovider_2ecpp_28', ['densityfittingforceprovider.cpp', ['../tests_2densityfittingforceprovider_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../densityfittingforceprovider_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['densityfittingforceprovider_2ecpp_28', ['densityfittingforceprovider.cpp', ['../densityfittingforceprovider_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2densityfittingforceprovider_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['densityfittingforceprovider_2eh_29', ['densityfittingforceprovider.h', ['../densityfittingforceprovider_8h.xhtml', 1, '']]],\n     ['densityfittingmodule_2ecpp_30', ['densityfittingmodule.cpp', ['../densityfittingmodule_8cpp.xhtml', 1, '']]],\n     ['densityfittingoptions_2ecpp_31', ['densityfittingoptions.cpp', ['../tests_2densityfittingoptions_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../densityfittingoptions_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['densityfittingoptions_2eh_32', ['densityfittingoptions.h', ['../densityfittingoptions_8h.xhtml', 1, '']]],\n@@ -124,17 +124,17 @@\n     ['domdec_5fstruct_2eh_104', ['domdec_struct.h', ['../domdec__struct_8h.xhtml', 1, '']]],\n     ['domdec_5fvsite_2ecpp_105', ['domdec_vsite.cpp', ['../domdec__vsite_8cpp.xhtml', 1, '']]],\n     ['domdec_5fvsite_2eh_106', ['domdec_vsite.h', ['../domdec__vsite_8h.xhtml', 1, '']]],\n     ['domdec_5fzones_2ecpp_107', ['domdec_zones.cpp', ['../domdec__zones_8cpp.xhtml', 1, '']]],\n     ['domdec_5fzones_2eh_108', ['domdec_zones.h', ['../domdec__zones_8h.xhtml', 1, '']]],\n     ['domdechelper_2ecpp_109', ['domdechelper.cpp', ['../domdechelper_8cpp.xhtml', 1, '']]],\n     ['domdechelper_2eh_110', ['domdechelper.h', ['../domdechelper_8h.xhtml', 1, '']]],\n-    ['dssp_2ecpp_111', ['dssp.cpp', ['../modules_2dssp_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2dssp_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['dssp_2ecpp_111', ['dssp.cpp', ['../tests_2dssp_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../modules_2dssp_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['dssp_2eh_112', ['dssp.h', ['../dssp_8h.xhtml', 1, '']]],\n-    ['dump_2ecpp_113', ['dump.cpp', ['../domdec_2dump_8cpp.xhtml', 1, '(Global Namespace)'],\n+    ['dump_2ecpp_113', ['dump.cpp', ['../tools_2tests_2dump_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tools_2dump_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tools_2tests_2dump_8cpp.xhtml', 1, '(Global Namespace)']\n+        ['../domdec_2dump_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['dump_2eh_114', ['dump.h', ['../domdec_2dump_8h.xhtml', 1, '']]]\n ];\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_4.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_4.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -7,22 +7,22 @@\n     ['electricfield_2eh_3', ['electricfield.h', ['../electricfield_8h.xhtml', 1, '']]],\n     ['enerdata_2ecpp_4', ['enerdata.cpp', ['../enerdata_8cpp.xhtml', 1, '']]],\n     ['energyanalysisframe_2eh_5', ['energyanalysisframe.h', ['../energyanalysisframe_8h.xhtml', 1, '']]],\n     ['energycomparison_2ecpp_6', ['energycomparison.cpp', ['../energycomparison_8cpp.xhtml', 1, '']]],\n     ['energycomparison_2eh_7', ['energycomparison.h', ['../energycomparison_8h.xhtml', 1, '']]],\n     ['energydata_2ecpp_8', ['energydata.cpp', ['../energydata_8cpp.xhtml', 1, '']]],\n     ['energydata_2eh_9', ['energydata.h', ['../energydata_8h.xhtml', 1, '']]],\n-    ['energydrifttracker_2ecpp_10', ['energydrifttracker.cpp', ['../energydrifttracker_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2energydrifttracker_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['energydrifttracker_2ecpp_10', ['energydrifttracker.cpp', ['../tests_2energydrifttracker_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../energydrifttracker_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['energydrifttracker_2eh_11', ['energydrifttracker.h', ['../energydrifttracker_8h.xhtml', 1, '']]],\n     ['energyframe_2ecpp_12', ['energyframe.cpp', ['../energyframe_8cpp.xhtml', 1, '']]],\n     ['energyhistory_2eh_13', ['energyhistory.h', ['../energyhistory_8h.xhtml', 1, '']]],\n-    ['energyoutput_2ecpp_14', ['energyoutput.cpp', ['../tests_2energyoutput_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../energyoutput_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['energyoutput_2ecpp_14', ['energyoutput.cpp', ['../energyoutput_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2energyoutput_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['energyoutput_2eh_15', ['energyoutput.h', ['../energyoutput_8h.xhtml', 1, '']]],\n     ['energyreader_2ecpp_16', ['energyreader.cpp', ['../energyreader_8cpp.xhtml', 1, '']]],\n     ['energyreader_2eh_17', ['energyreader.h', ['../energyreader_8h.xhtml', 1, '']]],\n     ['energyterm_2ecpp_18', ['energyterm.cpp', ['../tests_2energyterm_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../energyterm_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_7.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_7.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -3,40 +3,40 @@\n     ['hackblock_2eh_1', ['hackblock.h', ['../hackblock_8h.xhtml', 1, '']]],\n     ['haloexchange_2ecpp_2', ['haloexchange.cpp', ['../haloexchange_8cpp.xhtml', 1, '']]],\n     ['haloexchange_2eh_3', ['haloexchange.h', ['../haloexchange_8h.xhtml', 1, '']]],\n     ['haloexchange_5fmpi_2ecpp_4', ['haloexchange_mpi.cpp', ['../haloexchange__mpi_8cpp.xhtml', 1, '']]],\n     ['haloexchangesetup_2ecpp_5', ['haloexchangesetup.cpp', ['../haloexchangesetup_8cpp.xhtml', 1, '']]],\n     ['handlerestart_2ecpp_6', ['handlerestart.cpp', ['../handlerestart_8cpp.xhtml', 1, '']]],\n     ['handlerestart_2eh_7', ['handlerestart.h', ['../handlerestart_8h.xhtml', 1, '']]],\n-    ['hardwaretopology_2ecpp_8', ['hardwaretopology.cpp', ['../hardwaretopology_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2hardwaretopology_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['hardwaretopology_2ecpp_8', ['hardwaretopology.cpp', ['../tests_2hardwaretopology_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../hardwaretopology_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['hardwaretopology_2eh_9', ['hardwaretopology.h', ['../hardwaretopology_8h.xhtml', 1, '']]],\n     ['hashedmap_2ecpp_10', ['hashedmap.cpp', ['../hashedmap_8cpp.xhtml', 1, '']]],\n     ['hashedmap_2eh_11', ['hashedmap.h', ['../hashedmap_8h.xhtml', 1, '']]],\n     ['hbond_2ecpp_12', ['hbond.cpp', ['../modules_2hbond_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2hbond_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['hbond_2eh_13', ['hbond.h', ['../hbond_8h.xhtml', 1, '']]],\n-    ['helpformat_2ecpp_14', ['helpformat.cpp', ['../tests_2helpformat_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../helpformat_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['helpformat_2ecpp_14', ['helpformat.cpp', ['../helpformat_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2helpformat_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['helpformat_2eh_15', ['helpformat.h', ['../helpformat_8h.xhtml', 1, '']]],\n     ['helpmanager_2ecpp_16', ['helpmanager.cpp', ['../helpmanager_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2helpmanager_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['helpmanager_2eh_17', ['helpmanager.h', ['../helpmanager_8h.xhtml', 1, '']]],\n     ['helptopic_2ecpp_18', ['helptopic.cpp', ['../helptopic_8cpp.xhtml', 1, '']]],\n     ['helptopic_2eh_19', ['helptopic.h', ['../helptopic_8h.xhtml', 1, '']]],\n     ['helpwritercontext_2ecpp_20', ['helpwritercontext.cpp', ['../helpwritercontext_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2helpwritercontext_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['helpwritercontext_2eh_21', ['helpwritercontext.h', ['../helpwritercontext_8h.xhtml', 1, '']]],\n-    ['helpwriting_2ecpp_22', ['helpwriting.cpp', ['../programs_2mdrun_2tests_2helpwriting_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../gromacs_2tools_2tests_2helpwriting_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['helpwriting_2ecpp_22', ['helpwriting.cpp', ['../gromacs_2tools_2tests_2helpwriting_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../programs_2mdrun_2tests_2helpwriting_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['hip_5fkernel_5futils_2eh_23', ['hip_kernel_utils.h', ['../hip__kernel__utils_8h.xhtml', 1, '']]],\n     ['histogram_2ecpp_24', ['histogram.cpp', ['../tests_2histogram_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../modules_2histogram_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['histogram_2eh_25', ['histogram.h', ['../histogram_8h.xhtml', 1, '']]],\n     ['histogramsize_2ecpp_26', ['histogramsize.cpp', ['../histogramsize_8cpp.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_c.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_c.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -63,22 +63,22 @@\n     ['neldermead_2eh_57', ['neldermead.h', ['../neldermead_8h.xhtml', 1, '']]],\n     ['niceheader_2ecpp_58', ['niceheader.cpp', ['../niceheader_8cpp.xhtml', 1, '']]],\n     ['niceheader_2eh_59', ['niceheader.h', ['../niceheader_8h.xhtml', 1, '']]],\n     ['nnpot_2ecpp_60', ['nnpot.cpp', ['../nnpot_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2nnpot_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['nnpot_2eh_61', ['nnpot.h', ['../nnpot_8h.xhtml', 1, '']]],\n-    ['nnpotforceprovider_2ecpp_62', ['nnpotforceprovider.cpp', ['../nnpotforceprovider_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2nnpotforceprovider_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['nnpotforceprovider_2ecpp_62', ['nnpotforceprovider.cpp', ['../tests_2nnpotforceprovider_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../nnpotforceprovider_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['nnpotforceprovider_2eh_63', ['nnpotforceprovider.h', ['../nnpotforceprovider_8h.xhtml', 1, '']]],\n     ['nnpotforceprovider_5fstub_2ecpp_64', ['nnpotforceprovider_stub.cpp', ['../nnpotforceprovider__stub_8cpp.xhtml', 1, '']]],\n     ['nnpotmodel_2eh_65', ['nnpotmodel.h', ['../nnpotmodel_8h.xhtml', 1, '']]],\n-    ['nnpotoptions_2ecpp_66', ['nnpotoptions.cpp', ['../nnpotoptions_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2nnpotoptions_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['nnpotoptions_2ecpp_66', ['nnpotoptions.cpp', ['../tests_2nnpotoptions_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../nnpotoptions_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['nnpotoptions_2eh_67', ['nnpotoptions.h', ['../nnpotoptions_8h.xhtml', 1, '']]],\n     ['nnpottopologypreprocessor_2ecpp_68', ['nnpottopologypreprocessor.cpp', ['../tests_2nnpottopologypreprocessor_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../nnpottopologypreprocessor_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['nnpottopologypreprocessor_2eh_69', ['nnpottopologypreprocessor.h', ['../nnpottopologypreprocessor_8h.xhtml', 1, '']]],\n     ['nodelete_2eh_70', ['nodelete.h', ['../nodelete_8h.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_e.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_e.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -63,16 +63,16 @@\n     ['plot_2ecpp_51', ['plot.cpp', ['../plot_8cpp.xhtml', 1, '']]],\n     ['plot_2eh_52', ['plot.h', ['../plot_8h.xhtml', 1, '']]],\n     ['plumedforceprovider_2ecpp_53', ['plumedforceprovider.cpp', ['../plumedforceprovider_8cpp.xhtml', 1, '']]],\n     ['plumedforceprovider_2eh_54', ['plumedforceprovider.h', ['../plumedforceprovider_8h.xhtml', 1, '']]],\n     ['plumedmdmodule_2ecpp_55', ['plumedMDModule.cpp', ['../plumedMDModule_8cpp.xhtml', 1, '']]],\n     ['plumedmdmodule_2eh_56', ['plumedMDModule.h', ['../plumedMDModule_8h.xhtml', 1, '']]],\n     ['plumedmdmodule_5fstub_2ecpp_57', ['plumedMDModule_stub.cpp', ['../plumedMDModule__stub_8cpp.xhtml', 1, '']]],\n-    ['plumedoptions_2ecpp_58', ['plumedoptions.cpp', ['../tests_2plumedOptions_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../plumedOptions_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['plumedoptions_2ecpp_58', ['plumedoptions.cpp', ['../plumedOptions_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2plumedOptions_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['plumedoptions_2eh_59', ['plumedOptions.h', ['../plumedOptions_8h.xhtml', 1, '']]],\n     ['pmalloc_2ecpp_60', ['pmalloc.cpp', ['../pmalloc_8cpp.xhtml', 1, '']]],\n     ['pmalloc_2eh_61', ['pmalloc.h', ['../pmalloc_8h.xhtml', 1, '']]],\n     ['pmalloc_5fhip_2ecpp_62', ['pmalloc_hip.cpp', ['../pmalloc__hip_8cpp.xhtml', 1, '']]],\n     ['pmalloc_5fsycl_2ecpp_63', ['pmalloc_sycl.cpp', ['../pmalloc__sycl_8cpp.xhtml', 1, '']]],\n     ['pme_2ecpp_64', ['pme.cpp', ['../tests_2pme_8cpp.xhtml', 1, '(Global Namespace)'],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_f.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_f.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -12,15 +12,15 @@\n         ['../tests_2qmmminputgenerator_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['qmmminputgenerator_2eh_6', ['qmmminputgenerator.h', ['../qmmminputgenerator_8h.xhtml', 1, '']]],\n     ['qmmmoptions_2ecpp_7', ['qmmmoptions.cpp', ['../qmmmoptions_8cpp.xhtml', 1, '(Global Namespace)'],\n         ['../tests_2qmmmoptions_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['qmmmoptions_2eh_8', ['qmmmoptions.h', ['../qmmmoptions_8h.xhtml', 1, '']]],\n-    ['qmmmtopologypreprocessor_2ecpp_9', ['qmmmtopologypreprocessor.cpp', ['../qmmmtopologypreprocessor_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2qmmmtopologypreprocessor_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['qmmmtopologypreprocessor_2ecpp_9', ['qmmmtopologypreprocessor.cpp', ['../tests_2qmmmtopologypreprocessor_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../qmmmtopologypreprocessor_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['qmmmtopologypreprocessor_2eh_10', ['qmmmtopologypreprocessor.h', ['../qmmmtopologypreprocessor_8h.xhtml', 1, '']]],\n     ['qmmmtypes_2eh_11', ['qmmmtypes.h', ['../qmmmtypes_8h.xhtml', 1, '']]],\n     ['quadraticsplinetable_2ecpp_12', ['quadraticsplinetable.cpp', ['../quadraticsplinetable_8cpp.xhtml', 1, '']]],\n     ['quadraticsplinetable_2eh_13', ['quadraticsplinetable.h', ['../quadraticsplinetable_8h.xhtml', 1, '']]]\n ];\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/todo.xhtml", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/todo.xhtml", "unified_diff": "@@ -158,15 +158,15 @@\n <dd><a class=\"anchor\" id=\"_todo000227\"></a>Extend the coverage to the appending case. </dd>\n <dt>File <a class=\"el\" href=\"tests_2expanded_8cpp.xhtml\">expanded.cpp</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000101\"></a>Add more tests as the expanded ensemble implementation gets more modular (#3848). </dd>\n <dt>File <a class=\"el\" href=\"expandedensemble_8cpp.xhtml\">expandedensemble.cpp</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000232\"></a>Extend the coverage to the appending case. </dd>\n <dt>Member <a class=\"el\" href=\"device__management_8cpp.xhtml#a0579937ac9ed3975d887a3d976d94899\">findDevices</a>  ()</dt>\n <dd><a class=\"anchor\" id=\"_todo000061\"></a>: Check if errors do propagate in OpenCL as they do in CUDA and whether there is a mechanism to \"clear\" them. </dd>\n-<dt>Member <a class=\"el\" href=\"expfit_8cpp.xhtml#a560ea7d97277b9e0576776ec695fb9b3\">fit_acf</a>  (int ncorr, int fitfn, const gmx_output_env_t *oenv, gmx_bool bVerbose, real tbeginfit, real tendfit, real dt, real c1[], real *fit)</dt>\n+<dt>Member <a class=\"el\" href=\"expfit_8h.xhtml#a560ea7d97277b9e0576776ec695fb9b3\">fit_acf</a>  (int ncorr, int fitfn, const gmx_output_env_t *oenv, gmx_bool bVerbose, real tbeginfit, real tendfit, real dt, real c1[], real *fit)</dt>\n <dd><a class=\"anchor\" id=\"_todo000015\"></a>check parameters  </dd>\n <dt>Member <a class=\"el\" href=\"src_2gromacs_2listed__forces_2utilities_8h.xhtml#a02435a07d79c82f6d260d8a2dcc82b90\">ftype_is_bonded_potential</a>  (int ftype)</dt>\n <dd><a class=\"anchor\" id=\"_todo000075\"></a>This function could go away when idef is not a big bucket of everything.  </dd>\n <dt>Member <a class=\"el\" href=\"src_2gromacs_2listed__forces_2utilities_8h.xhtml#aba08e75fc4e249fb9ee806cf08781ff5\">ftypeIsListedPotential</a>  (int ftype)</dt>\n <dd><a class=\"anchor\" id=\"_todo000074\"></a>This function could go away when idef is not a big bucket of everything.  </dd>\n <dt>Member <a class=\"el\" href=\"device__management__common_8cpp.xhtml#a4c6f328aacc0b724c1b5731fed2744eb\">getDeviceComputeUnitFactor</a>  (const <a class=\"el\" href=\"structDeviceInformation.xhtml\" title=\"Platform-dependent device information.\">DeviceInformation</a> &amp;deviceInfo)</dt>\n <dd><a class=\"anchor\" id=\"_todo000060\"></a>: Handled AMD RDNA? </dd>\n@@ -477,15 +477,15 @@\n <dd><p class=\"startdd\"><a class=\"anchor\" id=\"_todo000270\"></a>Eventually t_trxframe should be replaced by a class such as this. Currently we need to introduce BoxMatrix so that we can have a normal C++ getter that returns the contents of a box matrix, since you cannot use a real[DIM][DIM] as a function return type.</p>\n <p class=\"enddd\"><a class=\"anchor\" id=\"_todo000271\"></a>Consider a std::optional work-alike type for expressing that a field may or may not have content.  </p>\n </dd>\n <dt>Struct <a class=\"el\" href=\"structgmx__hw__opt__t.xhtml\">gmx_hw_opt_t</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000065\"></a>During mdrunner(), if the user has left any of these values at their defaults (which tends to mean \"choose automatically\"), then those values are over-written with the result of such automation. This creates problems for the subsequent code in knowing what was done, why, and reporting correctly to the user. Find a way to improve this.  </dd>\n <dt>Struct <a class=\"el\" href=\"structgmx__multisim__t.xhtml\">gmx_multisim_t</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000152\"></a>Change this to class  </dd>\n-<dt>Member <a class=\"el\" href=\"pme_8cpp.xhtml#a39e800d9a258e0c8a553fa7b71e10dcf\">gmx_pme_init</a>  (const t_commrec *cr, const <a class=\"el\" href=\"structNumPmeDomains.xhtml\" title=\"Struct for passing around the number of PME domains.\">NumPmeDomains</a> &amp;numPmeDomains, const t_inputrec *ir, const matrix box, real haloExtentForAtomDisplacement, gmx_bool bFreeEnergy_q, gmx_bool bFreeEnergy_lj, gmx_bool bReproducible, real ewaldcoeff_q, real ewaldcoeff_lj, int nthread, PmeRunMode runMode, <a class=\"el\" href=\"structPmeGpu.xhtml\" title=\"The main PME GPU host structure, included in the PME CPU structure by pointer.\">PmeGpu</a> *pmeGpu, const DeviceContext *deviceContext, const <a class=\"el\" href=\"classDeviceStream.xhtml\" title=\"Declaration of platform-agnostic device stream/queue.\">DeviceStream</a> *deviceStream, const <a class=\"el\" href=\"classPmeGpuProgram.xhtml\" title=\"Stores PME data derived from the GPU context or devices.\">PmeGpuProgram</a> *pmeGpuProgram, const <a class=\"el\" href=\"classgmx_1_1MDLogger.xhtml\" title=\"Declares a logging interface.\">gmx::MDLogger</a> &amp;mdlog, std::shared_ptr&lt; PmeGridsStorage &gt; pmeGridsStoragePtr)</dt>\n+<dt>Member <a class=\"el\" href=\"pme_8h.xhtml#a39e800d9a258e0c8a553fa7b71e10dcf\">gmx_pme_init</a>  (const t_commrec *cr, const <a class=\"el\" href=\"structNumPmeDomains.xhtml\" title=\"Struct for passing around the number of PME domains.\">NumPmeDomains</a> &amp;numPmeDomains, const t_inputrec *ir, const matrix box, real haloExtentForAtomDisplacement, gmx_bool bFreeEnergy_q, gmx_bool bFreeEnergy_lj, gmx_bool bReproducible, real ewaldcoeff_q, real ewaldcoeff_lj, int nthread, PmeRunMode runMode, <a class=\"el\" href=\"structPmeGpu.xhtml\" title=\"The main PME GPU host structure, included in the PME CPU structure by pointer.\">PmeGpu</a> *pmeGpu, const DeviceContext *deviceContext, const <a class=\"el\" href=\"classDeviceStream.xhtml\" title=\"Declaration of platform-agnostic device stream/queue.\">DeviceStream</a> *deviceStream, const <a class=\"el\" href=\"classPmeGpuProgram.xhtml\" title=\"Stores PME data derived from the GPU context or devices.\">PmeGpuProgram</a> *pmeGpuProgram, const <a class=\"el\" href=\"classgmx_1_1MDLogger.xhtml\" title=\"Declares a logging interface.\">gmx::MDLogger</a> &amp;mdlog, std::shared_ptr&lt; PmeGridsStorage &gt; pmeGridsStoragePtr)</dt>\n <dd><a class=\"anchor\" id=\"_todo000024\"></a>We should evolve something like a <code>GpuManager</code> that holds <code>DeviceInformation*</code> and <code>PmeGpuProgram*</code> and perhaps other related things whose lifetime can/should exceed that of a task (or perhaps task manager). See Issue #2522.  </dd>\n <dt>Member <a class=\"el\" href=\"group__module__utility.xhtml#ga33e34477bae2bbb86c4d9af1823e3fd0\">GMX_UNUSED_VALUE</a>  (value)</dt>\n <dd><a class=\"anchor\" id=\"_todo000275\"></a>Deprecated - use gmx_unused  </dd>\n <dt>File <a class=\"el\" href=\"programs_2mdrun_2tests_2grompp_8cpp.xhtml\">grompp.cpp</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000233\"></a>Refactor SimulationRunner to split off SimulationPreparer, so that integration tests of grompp can stand apart from tests of mdrun. </dd>\n <dt>File <a class=\"el\" href=\"haloexchange__mpi_8cpp.xhtml\">haloexchange_mpi.cpp</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000020\"></a>Add 3D case </dd>\n@@ -565,15 +565,15 @@\n <dd><a class=\"anchor\" id=\"_todo000032\"></a>Some renaming/refactoring, which does not impair the performance: &ndash; <a class=\"el\" href=\"structPmeGpuSettings.xhtml\" title=\"The PME GPU settings structure, included in the main PME GPU structure by value.\">PmeGpuSettings</a> -&gt; PmeGpuTasks </dd>\n <dt>File <a class=\"el\" href=\"pme__gpu__staging_8h.xhtml\">pme_gpu_staging.h</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000033\"></a>Some renaming/refactoring, which does not impair the performance: &ndash; bringing the function names up to guidelines &ndash; <a class=\"el\" href=\"structPmeGpuSettings.xhtml\" title=\"The PME GPU settings structure, included in the main PME GPU structure by value.\">PmeGpuSettings</a> -&gt; PmeGpuTasks &ndash; refining GPU notation application (#2053) &ndash; renaming coefficients to charges (?) </dd>\n <dt>Member <a class=\"el\" href=\"pme_8h.xhtml#a9faddde52f5a636410141f52cc95d3e1\">pme_gpu_task_enabled</a>  (const gmx_pme_t *pme)</dt>\n <dd><a class=\"anchor\" id=\"_todo000026\"></a>This is a rather static data that should be managed by the hardware assignment manager. For now, it is synonymous with the active PME codepath (in the absence of dynamic switching). </dd>\n <dt>File <a class=\"el\" href=\"pme__gpu__types__host_8h.xhtml\">pme_gpu_types_host.h</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000034\"></a>Some renaming/refactoring, which does not impair the performance: &ndash; bringing the function names up to guidelines &ndash; <a class=\"el\" href=\"structPmeGpuSettings.xhtml\" title=\"The PME GPU settings structure, included in the main PME GPU structure by value.\">PmeGpuSettings</a> -&gt; PmeGpuTasks &ndash; refining GPU notation application (#2053) &ndash; renaming coefficients to charges (?) </dd>\n-<dt>Member <a class=\"el\" href=\"pme_8cpp.xhtml#a9cfbe9fa691aabaf1a9e10fa06858c96\">pme_run_mode</a>  (const gmx_pme_t *pme)</dt>\n+<dt>Member <a class=\"el\" href=\"pme_8h.xhtml#a9cfbe9fa691aabaf1a9e10fa06858c96\">pme_run_mode</a>  (const gmx_pme_t *pme)</dt>\n <dd><a class=\"anchor\" id=\"_todo000025\"></a>This is a rather static data that should be managed by the higher level task scheduler. </dd>\n <dt>Member <a class=\"el\" href=\"structPmeGpu.xhtml#a592a545094c1ba0847e5e5223c981cc9\">PmeGpu::kernelParams</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000036\"></a>Test whether this should be copied to the constant GPU memory once for each computation (or even less often with no box updates) instead of being an argument.  </dd>\n <dt>Struct <a class=\"el\" href=\"structPmeGpuProgramImpl.xhtml\">PmeGpuProgramImpl</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000031\"></a>In future if we would need to react to either user input or auto-tuning to compile different kernels, then we might wish to revisit the number of kernels we pre-compile, and/or the management of their lifetime. </dd>\n <dt>Member <a class=\"el\" href=\"pme_8h.xhtml#adc082ed1af9a4868af13352373ed3791\">PmeRunMode</a>  </dt>\n <dd><a class=\"anchor\" id=\"_todo000023\"></a>: make this enum class with gmx_pme_t C++ refactoring  </dd>\n"}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_11.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_11.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -567,28 +567,28 @@\n     ['output_2eh_218', ['output.h', ['../output_8h.xhtml', 1, '']]],\n     ['outputadaptercontainer_219', ['outputadaptercontainer', ['../classgmx_1_1OutputAdapterContainer.xhtml', 1, 'gmx::OutputAdapterContainer'],\n         ['../classgmx_1_1OutputAdapterContainer.xhtml#aaf6aa8b1a9e26274a1184a78b28daf68', 1, 'gmx::OutputAdapterContainer::OutputAdapterContainer(CoordinateFileFlags abilities)'],\n         ['../classgmx_1_1OutputAdapterContainer.xhtml#a24e4389e62ce62e3e170fd0293112ddf', 1, 'gmx::OutputAdapterContainer::OutputAdapterContainer(unsigned long abilities)']\n     ]],\n     ['outputadaptercontainer_2eh_220', ['outputadaptercontainer.h', ['../outputadaptercontainer_8h.xhtml', 1, '']]],\n     ['outputadapterpointer_221', ['OutputAdapterPointer', ['../namespacegmx.xhtml#a931d7c3f10f668b68f3307c9a23aac82', 1, 'gmx']]],\n-    ['outputadapters_2eh_222', ['outputadapters.h', ['../outputadapters_8h.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2outputadapters_8h.xhtml', 1, '(Global Namespace)']\n+    ['outputadapters_2eh_222', ['outputadapters.h', ['../tests_2outputadapters_8h.xhtml', 1, '(Global Namespace)'],\n+        ['../outputadapters_8h.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['outputenv_5f_223', ['outputEnv_', ['../classgmx_1_1SimulatorEnv.xhtml#aa1aa20355975f59f3a92ff3e3b6926e3', 1, 'gmx::SimulatorEnv']]],\n     ['outputfile_224', ['outputfile', ['../classgmx_1_1TrajectoryFileOpener.xhtml#a95a59e0ec86cab7744c655097d17b211', 1, 'gmx::TrajectoryFileOpener::outputFile()'],\n         ['../classgmx_1_1FileNameOption.xhtml#a80e635f1f2b0eac13821b49a09a16936', 1, 'gmx::FileNameOption::outputFile()'],\n         ['../classgmx_1_1HelpWriterContext.xhtml#a655c0f595a738d56078de302e756840d', 1, 'gmx::HelpWriterContext::outputFile() const']\n     ]],\n     ['outputformat_225', ['outputFormat', ['../classgmx_1_1HelpWriterContext.xhtml#a6a6f292ac89470c9070141d96ce46213', 1, 'gmx::HelpWriterContext']]],\n     ['outputparametergeneratorfunction_226', ['OutputParameterGeneratorFunction', ['../namespacegmx_1_1test.xhtml#a4d3f74cfb6fe86190ac6944586d98cc2', 1, 'gmx::test']]],\n     ['outputparameters_227', ['outputParameters', ['../namespacegmx_1_1test.xhtml#af69e1aa96a402756bc085f8c0e4a6e3e', 1, 'gmx::test']]],\n-    ['outputprovider_228', ['outputprovider', ['../classgmx_1_1IMDModule.xhtml#a489c0cac9c871a0f1cc0a95f7a52bc0b', 1, 'gmx::IMDModule::outputProvider()'],\n-        ['../classgmx_1_1RestraintMDModule.xhtml#afe126d08665a6d3ccd32c3f569476d52', 1, 'gmx::RestraintMDModule::outputProvider()'],\n-        ['../classgmx_1_1MDModules.xhtml#a72cb582ed6d59671da41c5f022338668', 1, 'gmx::MDModules::outputProvider()']\n+    ['outputprovider_228', ['outputprovider', ['../classgmx_1_1RestraintMDModule.xhtml#afe126d08665a6d3ccd32c3f569476d52', 1, 'gmx::RestraintMDModule::outputProvider()'],\n+        ['../classgmx_1_1MDModules.xhtml#a72cb582ed6d59671da41c5f022338668', 1, 'gmx::MDModules::outputProvider()'],\n+        ['../classgmx_1_1IMDModule.xhtml#a489c0cac9c871a0f1cc0a95f7a52bc0b', 1, 'gmx::IMDModule::outputProvider()']\n     ]],\n     ['outputrequirementoptiondirector_229', ['OutputRequirementOptionDirector', ['../classgmx_1_1OutputRequirementOptionDirector.xhtml', 1, 'gmx']]],\n     ['outputrequirements_230', ['OutputRequirements', ['../structgmx_1_1OutputRequirements.xhtml', 1, 'gmx']]],\n     ['outputselector_231', ['outputselector', ['../classgmx_1_1OutputSelector.xhtml', 1, 'gmx::OutputSelector'],\n         ['../classgmx_1_1OutputSelector.xhtml#af79a9c1cb189a56a816f564b2ab506d6', 1, 'gmx::OutputSelector::OutputSelector(OutputSelector &amp;&amp;old) noexcept=default'],\n         ['../classgmx_1_1OutputSelector.xhtml#adfdcfbbeb5cbf85a8ec3cd2c0c92ab69', 1, 'gmx::OutputSelector::OutputSelector(const Selection &amp;sel)']\n     ]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_14.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_14.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -163,16 +163,16 @@\n     ]],\n     ['referencetemperaturecallback_98', ['ReferenceTemperatureCallback', ['../group__module__modularsimulator.xhtml#ga00d43387a13cded843d155f43add55f2', 1, 'gmx']]],\n     ['refid_99', ['refid', ['../structgmx__ana__indexmap__t.xhtml#a36f6687375c680532b55396ac1d2dc5e', 1, 'gmx_ana_indexmap_t::refid'],\n         ['../classgmx_1_1SelectionPosition.xhtml#a927c30a6001be41a8af890006c40bac0', 1, 'gmx::SelectionPosition::refId()']\n     ]],\n     ['refids_100', ['refIds', ['../classgmx_1_1Selection.xhtml#a14558d886a11842e39a1f93dfd1db358', 1, 'gmx::Selection']]],\n     ['refindex_101', ['refIndex', ['../classgmx_1_1AnalysisNeighborhoodPair.xhtml#a713650494eafbd30a66902c2971f16fe', 1, 'gmx::AnalysisNeighborhoodPair']]],\n-    ['register_2ecpp_102', ['register.cpp', ['../tests_2register_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../frameconverters_2register_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['register_2ecpp_102', ['register.cpp', ['../frameconverters_2register_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../tests_2register_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['register_2eh_103', ['register.h', ['../register_8h.xhtml', 1, '']]],\n     ['register_5fexternal_5fpull_5fpotential_104', ['register_external_pull_potential', ['../pull_8h.xhtml#a86dbe05b3e003570d0fa27706bebe5df', 1, 'pull.cpp']]],\n     ['registeranalysisdataset_105', ['registerAnalysisDataset', ['../classgmx_1_1TrajectoryAnalysisModule.xhtml#a86b3b5cd87518e988e8b5452b39a3ad1', 1, 'gmx::TrajectoryAnalysisModule']]],\n     ['registerawhwithpull_106', ['registerAwhWithPull', ['../classgmx_1_1Awh.xhtml#af8957a0084804002508feb702f0e924a', 1, 'gmx::Awh']]],\n     ['registerbasicdataset_107', ['registerBasicDataset', ['../classgmx_1_1TrajectoryAnalysisModule.xhtml#ad946d2af4c8e284ef349f2cd816495bb', 1, 'gmx::TrajectoryAnalysisModule']]],\n     ['registerdomdeccallback_108', ['registerDomDecCallback', ['../group__module__modularsimulator.xhtml#gafbccf39923b2a69b05bc61d185671e47', 1, 'gmx::IDomDecHelperClient']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_15.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_15.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -595,22 +595,22 @@\n     ['simd_20intrinsics_20interface_20simd_392', ['SIMD intrinsics interface (simd)', ['../group__module__simd.xhtml', 1, '']]],\n     ['simd_20math_20library_393', ['The SIMD math library', ['../page_simd.xhtml#autotoc_md70', 1, '']]],\n     ['simd_20module_394', ['Design of the GROMACS SIMD module', ['../page_simd.xhtml#autotoc_md57', 1, '']]],\n     ['simd_20preprocessor_20macros_395', ['Predefined SIMD preprocessor macros', ['../page_simd.xhtml#autotoc_md66', 1, '']]],\n     ['simd_2eh_396', ['simd.h', ['../include_2gromacs_2simd_2simd_8h.xhtml', 1, '']]],\n     ['simd4_20implementation_397', ['SIMD4 implementation', ['../page_simd.xhtml#autotoc_md64', 1, '']]],\n     ['simd4bool_398', ['Simd4Bool', ['../namespacegmx.xhtml#acb6a84be080be397c2c09cda9f315037', 1, 'gmx']]],\n-    ['simd4dbool_399', ['simd4dbool', ['../classgmx_1_1Simd4DBool.xhtml', 1, 'gmx::Simd4DBool'],\n-        ['../classgmx_1_1Simd4DBool.xhtml#a428de6b27a42a06dd0fd632660b3ae9d', 1, 'gmx::Simd4DBool::Simd4DBool()']\n+    ['simd4dbool_399', ['simd4dbool', ['../classgmx_1_1Simd4DBool.xhtml#a428de6b27a42a06dd0fd632660b3ae9d', 1, 'gmx::Simd4DBool::Simd4DBool()'],\n+        ['../classgmx_1_1Simd4DBool.xhtml', 1, 'gmx::Simd4DBool']\n     ]],\n-    ['simd4double_400', ['simd4double', ['../classgmx_1_1Simd4Double.xhtml', 1, 'gmx::Simd4Double'],\n-        ['../classgmx_1_1Simd4Double.xhtml#a92931f93554548894cd5daa60af49525', 1, 'gmx::Simd4Double::Simd4Double()']\n+    ['simd4double_400', ['simd4double', ['../classgmx_1_1Simd4Double.xhtml#a92931f93554548894cd5daa60af49525', 1, 'gmx::Simd4Double::Simd4Double()'],\n+        ['../classgmx_1_1Simd4Double.xhtml', 1, 'gmx::Simd4Double']\n     ]],\n-    ['simd4fbool_401', ['simd4fbool', ['../classgmx_1_1Simd4FBool.xhtml', 1, 'gmx::Simd4FBool'],\n-        ['../classgmx_1_1Simd4FBool.xhtml#ad64754cbb774d9cab1ed08c49a6e28bc', 1, 'gmx::Simd4FBool::Simd4FBool()']\n+    ['simd4fbool_401', ['simd4fbool', ['../classgmx_1_1Simd4FBool.xhtml#ad64754cbb774d9cab1ed08c49a6e28bc', 1, 'gmx::Simd4FBool::Simd4FBool()'],\n+        ['../classgmx_1_1Simd4FBool.xhtml', 1, 'gmx::Simd4FBool']\n     ]],\n     ['simd4float_402', ['simd4float', ['../classgmx_1_1Simd4Float.xhtml#a4d61d22b9955c0f6fa78804562704cbe', 1, 'gmx::Simd4Float::Simd4Float()'],\n         ['../classgmx_1_1Simd4Float.xhtml', 1, 'gmx::Simd4Float']\n     ]],\n     ['simd4n_20implementation_403', ['SIMD4N implementation', ['../page_simd.xhtml#autotoc_md65', 1, '']]],\n     ['simd4real_404', ['Simd4Real', ['../namespacegmx.xhtml#a37686b0c2ec48a361d6c4473c1fdb70c', 1, 'gmx']]],\n     ['simd4setzerod_405', ['simd4SetZeroD', ['../group__module__simd.xhtml#gac88aa19e4c856c2333bf814c3521c488', 1, 'gmx']]],\n@@ -618,16 +618,16 @@\n     ['simd_5fmath_2eh_407', ['simd_math.h', ['../simd__math_8h.xhtml', 1, '']]],\n     ['simd_5fmemory_2eh_408', ['simd_memory.h', ['../simd__memory_8h.xhtml', 1, '']]],\n     ['simd_5fsupport_2eh_409', ['simd_support.h', ['../simd__support_8h.xhtml', 1, '']]],\n     ['simd_5fwidth_410', ['simd_width', ['../namespacegmx.xhtml#ad2defc5df98b53733b2d299c76788b05', 1, 'gmx']]],\n     ['simdbitmask_411', ['SimdBitMask', ['../namespacegmx.xhtml#afb42c13ecb6e9bac5d3b89e89143257f', 1, 'gmx']]],\n     ['simdbool_412', ['SimdBool', ['../namespacegmx.xhtml#a307172d59a1a7c9ed87bc2cb4df83efa', 1, 'gmx']]],\n     ['simdcheck_413', ['simdCheck', ['../namespacegmx.xhtml#a3dfaae36144016a6b9ef7524dfbbb815', 1, 'gmx']]],\n-    ['simddbool_414', ['simddbool', ['../classgmx_1_1SimdDBool.xhtml', 1, 'gmx::SimdDBool'],\n-        ['../classgmx_1_1SimdDBool.xhtml#ad4d8f87a8e48ad39d6600c271dc37a02', 1, 'gmx::SimdDBool::SimdDBool()']\n+    ['simddbool_414', ['simddbool', ['../classgmx_1_1SimdDBool.xhtml#ad4d8f87a8e48ad39d6600c271dc37a02', 1, 'gmx::SimdDBool::SimdDBool()'],\n+        ['../classgmx_1_1SimdDBool.xhtml', 1, 'gmx::SimdDBool']\n     ]],\n     ['simddibool_415', ['simddibool', ['../classgmx_1_1SimdDIBool.xhtml', 1, 'gmx::SimdDIBool'],\n         ['../classgmx_1_1SimdDIBool.xhtml#a9b76cf7d82509f3f7adeac5d7f1b1477', 1, 'gmx::SimdDIBool::SimdDIBool()']\n     ]],\n     ['simddint32_416', ['simddint32', ['../classgmx_1_1SimdDInt32.xhtml', 1, 'gmx::SimdDInt32'],\n         ['../classgmx_1_1SimdDInt32.xhtml#a4107f8bf681a5cfe0abd34bffd5d952b', 1, 'gmx::SimdDInt32::SimdDInt32()']\n     ]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_17.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-lib/search/all_17.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -22,30 +22,30 @@\n     ['uniquedeviceid_14', ['uniqueDeviceId', ['../device__management_8h.xhtml#ab7595ed839026b4d41d8eb72701a80eb', 1, 'device_management_common.cpp']]],\n     ['unit_15', ['unit', ['../classgmx_1_1EnergyTerm.xhtml#aef5ad0000c2fbbc74c57f0b5e0ddb409', 1, 'gmx::EnergyTerm']]],\n     ['unitcelliscompact_16', ['UnitCellIsCompact', ['../group__module__coordinateio.xhtml#ggae520b2721d9d5166e7c015b2654bd1d9ad4d785ddf0c77e7b697efd2b5ec376e1', 1, 'gmx']]],\n     ['unitcellisrectangular_17', ['UnitCellIsRectangular', ['../group__module__coordinateio.xhtml#ggae520b2721d9d5166e7c015b2654bd1d9a8e7bda81ce54b8cf90c3b856c83e7d9f', 1, 'gmx']]],\n     ['unitcellistriclinic_18', ['UnitCellIsTriclinic', ['../group__module__coordinateio.xhtml#ggae520b2721d9d5166e7c015b2654bd1d9a99285c8187fb87e756f127435045dc3f', 1, 'gmx']]],\n     ['unitcelltype_19', ['UnitCellType', ['../namespacegmx.xhtml#af897bff42be729e6eaf3c4dc6e199722', 1, 'gmx']]],\n     ['unitcelltypenames_20', ['unitCellTypeNames', ['../namespacegmx.xhtml#ae81efb97e81499b750d906d26a29ce18', 1, 'gmx']]],\n-    ['unitvector_21', ['unitvector', ['../classgmx_1_1BasicVector.xhtml#a2fc805de143df5ecfe38f2cb50d84e6c', 1, 'gmx::BasicVector::unitVector()'],\n-        ['../namespacegmx.xhtml#a53215047e2f488dfbf48164090c07b40', 1, 'gmx::unitVector(const VectorType &amp;v)']\n+    ['unitvector_21', ['unitvector', ['../namespacegmx.xhtml#a53215047e2f488dfbf48164090c07b40', 1, 'gmx::unitVector()'],\n+        ['../classgmx_1_1BasicVector.xhtml#a2fc805de143df5ecfe38f2cb50d84e6c', 1, 'gmx::BasicVector::unitVector()']\n     ]],\n     ['unity_22', ['Unity', ['../namespacegmx.xhtml#ab0ad78613a262a1d4fcce5d18525099fa82dd98f1d663acc318e6a8ec4ab69b7a', 1, 'gmx']]],\n     ['unknown_23', ['unknown', ['../classgmx_1_1CpuInfo.xhtml#acd7ff27553f3ff9fd1037c30c21a24f1a88183b946cc5f0e8c96b2e66e1c74a7e', 1, 'gmx::CpuInfo::Unknown'],\n-        ['../device__information_8h.xhtml#a5514710e3c78d4816da9e8d2e3cd508ca88183b946cc5f0e8c96b2e66e1c74a7e', 1, 'Unknown:&#160;device_information.h'],\n-        ['../namespacegmx.xhtml#a20e189e3f31f5f1e8581a5cc84063453a88183b946cc5f0e8c96b2e66e1c74a7e', 1, 'gmx::Unknown']\n+        ['../namespacegmx.xhtml#a20e189e3f31f5f1e8581a5cc84063453a88183b946cc5f0e8c96b2e66e1c74a7e', 1, 'gmx::Unknown'],\n+        ['../device__information_8h.xhtml#a5514710e3c78d4816da9e8d2e3cd508ca88183b946cc5f0e8c96b2e66e1c74a7e', 1, 'Unknown:&#160;device_information.h']\n     ]],\n     ['unpackrecvbufkernel_24', ['unpackRecvBufKernel', ['../namespacegmx.xhtml#a704128fa72f8ce7dcf08d0063a166036', 1, 'gmx']]],\n     ['unpaddedarrayref_25', ['unpaddedArrayRef', ['../classgmx_1_1ArrayRefWithPadding.xhtml#ad5b878ca7749f5b8f52e006269fbfc2f', 1, 'gmx::ArrayRefWithPadding']]],\n     ['unpaddedconstarrayref_26', ['unpaddedConstArrayRef', ['../classgmx_1_1ArrayRefWithPadding.xhtml#a2c3f73497c6bc71264ae1af84b6522ae', 1, 'gmx::ArrayRefWithPadding']]],\n     ['unset_27', ['Unset', ['../md__enums_8h.xhtml#a1df3eedfba9424ae3e518284a453d95cac9f88e098f6fe4e4e112eeb05ccb9671', 1, 'md_enums.h']]],\n     ['unsignedchartostring_28', ['unsignedCharToString', ['../group__module__utility.xhtml#ga78b462191d8dbe81225e12d64cdd55a3', 1, 'gmx']]],\n     ['update_29', ['update', ['../classgmx_1_1Update.xhtml#afcb4065ad13efba2d3aa9b5225125e6f', 1, 'gmx::Update::Update()'],\n-        ['../classgmx_1_1Update.xhtml', 1, 'gmx::Update'],\n-        ['../classgmx_1_1IRestraintPotential.xhtml#a6bc44212f005dbc7a03acf9a76b1074d', 1, 'gmx::IRestraintPotential::update()']\n+        ['../classgmx_1_1IRestraintPotential.xhtml#a6bc44212f005dbc7a03acf9a76b1074d', 1, 'gmx::IRestraintPotential::update()'],\n+        ['../classgmx_1_1Update.xhtml', 1, 'gmx::Update']\n     ]],\n     ['update_5fconstrain_5fgpu_2eh_30', ['update_constrain_gpu.h', ['../update__constrain__gpu_8h.xhtml', 1, '']]],\n     ['update_5fcoords_31', ['update_coords', ['../classgmx_1_1Update.xhtml#a07bb5e84363cbcb95a10bc97647526e9', 1, 'gmx::Update']]],\n     ['update_5fdisres_5fhistory_32', ['update_disres_history', ['../disre_8h.xhtml#a80a6326aadca6d0b6f6f4753e63648e7', 1, 'disre.cpp']]],\n     ['update_5ffor_5fconstraint_5fvirial_33', ['update_for_constraint_virial', ['../classgmx_1_1Update.xhtml#acbd679269aa6945d6922c029770e8a84', 1, 'gmx::Update']]],\n     ['update_5fsd_5fsecond_5fhalf_34', ['update_sd_second_half', ['../classgmx_1_1Update.xhtml#ab0206e61c30553bd8aa268891c466509', 1, 'gmx::Update']]],\n     ['update_5ftemperature_5fconstants_35', ['update_temperature_constants', ['../classgmx_1_1Update.xhtml#afa5d8919006df7093a2224fbc2f9fd4c', 1, 'gmx::Update']]],\n@@ -65,16 +65,16 @@\n         ['../classgmx_1_1UpdateGroups.xhtml', 1, 'gmx::UpdateGroups']\n     ]],\n     ['updategroups_2eh_48', ['updategroups.h', ['../updategroups_8h.xhtml', 1, '']]],\n     ['updategroupscog_49', ['updategroupscog', ['../classgmx_1_1UpdateGroupsCog.xhtml#af4073554edea0cc98542003e47f7dccd', 1, 'gmx::UpdateGroupsCog::UpdateGroupsCog()'],\n         ['../classgmx_1_1UpdateGroupsCog.xhtml', 1, 'gmx::UpdateGroupsCog']\n     ]],\n     ['updategroupscog_2eh_50', ['updategroupscog.h', ['../updategroupscog_8h.xhtml', 1, '']]],\n-    ['updatehistory_51', ['updatehistory', ['../structt__oriresdata.xhtml#a7806904b5f7dcb25d5dec4555be7b5ac', 1, 't_oriresdata::updateHistory()'],\n-        ['../classgmx_1_1Awh.xhtml#ad138cec7cc1fefd7c1787d5f94279494', 1, 'gmx::Awh::updateHistory()']\n+    ['updatehistory_51', ['updatehistory', ['../classgmx_1_1Awh.xhtml#ad138cec7cc1fefd7c1787d5f94279494', 1, 'gmx::Awh::updateHistory()'],\n+        ['../structt__oriresdata.xhtml#a7806904b5f7dcb25d5dec4555be7b5ac', 1, 't_oriresdata::updateHistory()']\n     ]],\n     ['updatepositions_52', ['updatePositions', ['../namespacegmx.xhtml#a5d079b5d5fedb7c55a119e1342cb7fd8', 1, 'gmx']]],\n     ['updateprevsteppullcom_53', ['updatePrevStepPullCom', ['../pull_8h.xhtml#a95ef443e2830253d2aef461a2f811c4e', 1, 'pull.h']]],\n     ['updatevelocities_54', ['updateVelocities', ['../namespacegmx.xhtml#a2b97181f1d88633664f339242db99d74', 1, 'gmx']]],\n     ['updatewithdatapoint_55', ['updateWithDataPoint', ['../classgmx_1_1ExponentialMovingAverage.xhtml#a5293fc09bb63cc379eed9ca1fa20c760', 1, 'gmx::ExponentialMovingAverage']]],\n     ['uppercorner_56', ['upperCorner', ['../structgmx_1_1GridDimensions.xhtml#acd92331d1b9d316fe200653256a9c88c', 1, 'gmx::GridDimensions']]],\n     ['upstring_57', ['upstring', ['../cstringutil_8h.xhtml#a74173c7afe5600452edf4956ae58bbe8', 1, 'cstringutil.cpp']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-user/search/all_11.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-user/search/all_11.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -271,17 +271,17 @@\n     ]],\n     ['outputenv_5f_113', ['outputEnv_', ['../classgmx_1_1SimulatorEnv.xhtml#aa1aa20355975f59f3a92ff3e3b6926e3', 1, 'gmx::SimulatorEnv']]],\n     ['outputfile_114', ['outputfile', ['../classgmx_1_1TrajectoryFileOpener.xhtml#a95a59e0ec86cab7744c655097d17b211', 1, 'gmx::TrajectoryFileOpener::outputFile()'],\n         ['../classgmx_1_1FileNameOption.xhtml#a80e635f1f2b0eac13821b49a09a16936', 1, 'gmx::FileNameOption::outputFile()']\n     ]],\n     ['outputrequirementoptiondirector_115', ['OutputRequirementOptionDirector', ['../classgmx_1_1OutputRequirementOptionDirector.xhtml', 1, 'gmx']]],\n     ['outputrequirements_116', ['OutputRequirements', ['../structgmx_1_1OutputRequirements.xhtml', 1, 'gmx']]],\n-    ['outputselector_117', ['outputselector', ['../classgmx_1_1OutputSelector.xhtml#af79a9c1cb189a56a816f564b2ab506d6', 1, 'gmx::OutputSelector::OutputSelector(OutputSelector &amp;&amp;old) noexcept=default'],\n+    ['outputselector_117', ['outputselector', ['../classgmx_1_1OutputSelector.xhtml', 1, 'gmx::OutputSelector'],\n         ['../classgmx_1_1OutputSelector.xhtml#adfdcfbbeb5cbf85a8ec3cd2c0c92ab69', 1, 'gmx::OutputSelector::OutputSelector(const Selection &amp;sel)'],\n-        ['../classgmx_1_1OutputSelector.xhtml', 1, 'gmx::OutputSelector']\n+        ['../classgmx_1_1OutputSelector.xhtml#af79a9c1cb189a56a816f564b2ab506d6', 1, 'gmx::OutputSelector::OutputSelector(OutputSelector &amp;&amp;old) noexcept=default']\n     ]],\n     ['outputselector_2eh_118', ['outputselector.h', ['../outputselector_8h.xhtml', 1, '']]],\n     ['outputselectorpointer_119', ['OutputSelectorPointer', ['../namespacegmx.xhtml#a139b5367368caa9a3189d367ecb2ba36', 1, 'gmx']]],\n     ['over_20mpi_120', ['Spatial domain decomposition (for parallelization over MPI)', ['../group__module__domdec.xhtml', 1, '']]],\n     ['over_5falloc_5fdd_121', ['over_alloc_dd', ['../smalloc_8h.xhtml#af1533c63c1d40c5bb9bfaaa6d898369a', 1, 'smalloc.cpp']]],\n     ['over_5falloc_5ffac_122', ['OVER_ALLOC_FAC', ['../smalloc_8h.xhtml#a49ab20d4d965f7279f9f90dd5300ef46', 1, 'smalloc.h']]],\n     ['over_5falloc_5flarge_123', ['over_alloc_large', ['../smalloc_8h.xhtml#af01b4882f613834c3da2433b37ed5753', 1, 'smalloc.h']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-user/search/all_14.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-user/search/all_14.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -83,16 +83,16 @@\n     ['referencecoordinates_55', ['referenceCoordinates', ['../structt__oriresdata.xhtml#af77d3bc2cdec9b240c667f8075237a8a', 1, 't_oriresdata']]],\n     ['referencetemperaturecallback_56', ['ReferenceTemperatureCallback', ['../group__module__modularsimulator.xhtml#ga00d43387a13cded843d155f43add55f2', 1, 'gmx']]],\n     ['refid_57', ['refid', ['../classgmx_1_1SelectionPosition.xhtml#a927c30a6001be41a8af890006c40bac0', 1, 'gmx::SelectionPosition::refId()'],\n         ['../structgmx__ana__indexmap__t.xhtml#a36f6687375c680532b55396ac1d2dc5e', 1, 'gmx_ana_indexmap_t::refid']\n     ]],\n     ['refids_58', ['refIds', ['../classgmx_1_1Selection.xhtml#a14558d886a11842e39a1f93dfd1db358', 1, 'gmx::Selection']]],\n     ['refindex_59', ['refIndex', ['../classgmx_1_1AnalysisNeighborhoodPair.xhtml#a713650494eafbd30a66902c2971f16fe', 1, 'gmx::AnalysisNeighborhoodPair']]],\n-    ['register_2ecpp_60', ['register.cpp', ['../frameconverters_2register_8cpp.xhtml', 1, '(Global Namespace)'],\n-        ['../tests_2register_8cpp.xhtml', 1, '(Global Namespace)']\n+    ['register_2ecpp_60', ['register.cpp', ['../tests_2register_8cpp.xhtml', 1, '(Global Namespace)'],\n+        ['../frameconverters_2register_8cpp.xhtml', 1, '(Global Namespace)']\n     ]],\n     ['register_2eh_61', ['register.h', ['../register_8h.xhtml', 1, '']]],\n     ['registeranalysisdataset_62', ['registerAnalysisDataset', ['../classgmx_1_1TrajectoryAnalysisModule.xhtml#a86b3b5cd87518e988e8b5452b39a3ad1', 1, 'gmx::TrajectoryAnalysisModule']]],\n     ['registerbasicdataset_63', ['registerBasicDataset', ['../classgmx_1_1TrajectoryAnalysisModule.xhtml#ad946d2af4c8e284ef349f2cd816495bb', 1, 'gmx::TrajectoryAnalysisModule']]],\n     ['registerdomdeccallback_64', ['registerDomDecCallback', ['../group__module__modularsimulator.xhtml#gafbccf39923b2a69b05bc61d185671e47', 1, 'gmx::IDomDecHelperClient']]],\n     ['registerenergycallback_65', ['registerEnergyCallback', ['../group__module__modularsimulator.xhtml#gaf0c4df1d5e6640192354e47e19d66021', 1, 'gmx::IEnergySignallerClient']]],\n     ['registerlaststepcallback_66', ['registerLastStepCallback', ['../group__module__modularsimulator.xhtml#gaa6daae642dd3763973e4581f0a9f820c', 1, 'gmx::ILastStepSignallerClient']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-user/search/all_17.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-user/search/all_17.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -2,29 +2,29 @@\n     ['u_0', ['u', ['../structt__pargs.xhtml#a9896c617087886506822e9a67795e651', 1, 't_pargs']]],\n     ['uint8_1', ['uInt8', ['../namespacegmx.xhtml#a4355a7e0f393d42cbb5b2a47aefea966ab0cffa75aa037e628ccfdf46bcc086ac', 1, 'gmx']]],\n     ['uniformintdistribution_2', ['uniformintdistribution', ['../classgmx_1_1UniformIntDistribution.xhtml#a09808fada94acf89dc12c30310afaeda', 1, 'gmx::UniformIntDistribution::UniformIntDistribution(const param_type &amp;param)'],\n         ['../classgmx_1_1UniformIntDistribution.xhtml#a790697adc208c8ecf2e9164ea00cf24b', 1, 'gmx::UniformIntDistribution::UniformIntDistribution(result_type a=0, result_type b=std::numeric_limits&lt; result_type &gt;::max())'],\n         ['../classgmx_1_1UniformIntDistribution.xhtml', 1, 'gmx::UniformIntDistribution&lt; IntType &gt;']\n     ]],\n     ['uniformintdistribution_2eh_3', ['uniformintdistribution.h', ['../uniformintdistribution_8h.xhtml', 1, '']]],\n-    ['uniformrealdistribution_4', ['uniformrealdistribution', ['../classgmx_1_1UniformRealDistribution.xhtml#a8a58a25b5bc17882dfc3671530d1aad3', 1, 'gmx::UniformRealDistribution::UniformRealDistribution()'],\n-        ['../classgmx_1_1UniformRealDistribution.xhtml', 1, 'gmx::UniformRealDistribution&lt; RealType &gt;'],\n-        ['../classgmx_1_1UniformRealDistribution.xhtml#abf980964b1ce2f1fade69a0578b25e33', 1, 'gmx::UniformRealDistribution::UniformRealDistribution()']\n+    ['uniformrealdistribution_4', ['uniformrealdistribution', ['../classgmx_1_1UniformRealDistribution.xhtml', 1, 'gmx::UniformRealDistribution&lt; RealType &gt;'],\n+        ['../classgmx_1_1UniformRealDistribution.xhtml#a8a58a25b5bc17882dfc3671530d1aad3', 1, 'gmx::UniformRealDistribution::UniformRealDistribution(const param_type &amp;param)'],\n+        ['../classgmx_1_1UniformRealDistribution.xhtml#abf980964b1ce2f1fade69a0578b25e33', 1, 'gmx::UniformRealDistribution::UniformRealDistribution(result_type a=0.0, result_type b=1.0)']\n     ]],\n     ['uniformrealdistribution_2eh_5', ['uniformrealdistribution.h', ['../uniformrealdistribution_8h.xhtml', 1, '']]],\n     ['uniformrealdistribution_3c_20real_20_3e_6', ['UniformRealDistribution&lt; real &gt;', ['../classgmx_1_1UniformRealDistribution.xhtml', 1, 'gmx']]],\n     ['unique_5fcptr_7', ['unique_cptr', ['../namespacegmx.xhtml#a89d1da25b1e1f9331f1fe99b15072eac', 1, 'gmx']]],\n     ['unique_5fcptr_2eh_8', ['unique_cptr.h', ['../unique__cptr_8h.xhtml', 1, '']]],\n     ['unitcelliscompact_9', ['UnitCellIsCompact', ['../namespacegmx.xhtml#ae520b2721d9d5166e7c015b2654bd1d9ad4d785ddf0c77e7b697efd2b5ec376e1', 1, 'gmx']]],\n     ['unitcellisrectangular_10', ['UnitCellIsRectangular', ['../namespacegmx.xhtml#ae520b2721d9d5166e7c015b2654bd1d9a8e7bda81ce54b8cf90c3b856c83e7d9f', 1, 'gmx']]],\n     ['unitcellistriclinic_11', ['UnitCellIsTriclinic', ['../namespacegmx.xhtml#ae520b2721d9d5166e7c015b2654bd1d9a99285c8187fb87e756f127435045dc3f', 1, 'gmx']]],\n     ['unitcelltype_12', ['UnitCellType', ['../namespacegmx.xhtml#af897bff42be729e6eaf3c4dc6e199722', 1, 'gmx']]],\n     ['unitcelltypenames_13', ['unitCellTypeNames', ['../namespacegmx.xhtml#ae81efb97e81499b750d906d26a29ce18', 1, 'gmx']]],\n-    ['unitvector_14', ['unitvector', ['../classgmx_1_1BasicVector.xhtml#a2fc805de143df5ecfe38f2cb50d84e6c', 1, 'gmx::BasicVector::unitVector()'],\n-        ['../namespacegmx.xhtml#a53215047e2f488dfbf48164090c07b40', 1, 'gmx::unitVector(const VectorType &amp;v)']\n+    ['unitvector_14', ['unitvector', ['../namespacegmx.xhtml#a53215047e2f488dfbf48164090c07b40', 1, 'gmx::unitVector()'],\n+        ['../classgmx_1_1BasicVector.xhtml#a2fc805de143df5ecfe38f2cb50d84e6c', 1, 'gmx::BasicVector::unitVector()']\n     ]],\n     ['unity_15', ['Unity', ['../namespacegmx.xhtml#ab0ad78613a262a1d4fcce5d18525099fa82dd98f1d663acc318e6a8ec4ab69b7a', 1, 'gmx']]],\n     ['unknown_16', ['Unknown', ['../namespacegmx.xhtml#a20e189e3f31f5f1e8581a5cc84063453a88183b946cc5f0e8c96b2e66e1c74a7e', 1, 'gmx']]],\n     ['unpackrecvbufkernel_17', ['unpackRecvBufKernel', ['../namespacegmx.xhtml#a704128fa72f8ce7dcf08d0063a166036', 1, 'gmx']]],\n     ['unpaddedarrayref_18', ['unpaddedArrayRef', ['../classgmx_1_1ArrayRefWithPadding.xhtml#ad5b878ca7749f5b8f52e006269fbfc2f', 1, 'gmx::ArrayRefWithPadding']]],\n     ['unpaddedconstarrayref_19', ['unpaddedConstArrayRef', ['../classgmx_1_1ArrayRefWithPadding.xhtml#a2c3f73497c6bc71264ae1af84b6522ae', 1, 'gmx::ArrayRefWithPadding']]],\n     ['unset_20', ['Unset', ['../md__enums_8h.xhtml#a1df3eedfba9424ae3e518284a453d95cac9f88e098f6fe4e4e112eeb05ccb9671', 1, 'md_enums.h']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/xml/index.xml.gz", "source2": "./usr/share/doc/gromacs/html/doxygen/xml/index.xml.gz", "unified_diff": null, "details": [{"source1": "index.xml", "source2": "index.xml", "unified_diff": null, "details": [{"source1": "index.xml", "source2": "index.xml", "comments": ["Ordering differences only"], "unified_diff": "@@ -76280,19 +76280,19 @@\n     <member refid=\"template_8cpp_1a0ddf1224851353fc92bfbff6f499fa97\" kind=\"function\">\n       <name>main</name>\n     </member>\n   </compound>\n   <compound refid=\"abstractdata_8cpp\" kind=\"file\">\n     <name>abstractdata.cpp</name>\n   </compound>\n-  <compound refid=\"arraydata_8cpp\" kind=\"file\">\n-    <name>arraydata.cpp</name>\n+  <compound refid=\"analysisdata_8cpp\" kind=\"file\">\n+    <name>analysisdata.cpp</name>\n   </compound>\n-  <compound refid=\"tests_2arraydata_8cpp\" kind=\"file\">\n-    <name>arraydata.cpp</name>\n+  <compound refid=\"tests_2analysisdata_8cpp\" kind=\"file\">\n+    <name>analysisdata.cpp</name>\n   </compound>\n   <compound refid=\"dataframe_8cpp\" kind=\"file\">\n     <name>dataframe.cpp</name>\n   </compound>\n   <compound refid=\"datamodule_8cpp\" kind=\"file\">\n     <name>datamodule.cpp</name>\n   </compound>\n@@ -76328,19 +76328,19 @@\n   </compound>\n   <compound refid=\"plot_8cpp\" kind=\"file\">\n     <name>plot.cpp</name>\n   </compound>\n   <compound refid=\"paralleloptions_8h\" kind=\"file\">\n     <name>paralleloptions.h</name>\n   </compound>\n-  <compound refid=\"analysisdata_8cpp\" kind=\"file\">\n-    <name>analysisdata.cpp</name>\n+  <compound refid=\"arraydata_8cpp\" kind=\"file\">\n+    <name>arraydata.cpp</name>\n   </compound>\n-  <compound refid=\"tests_2analysisdata_8cpp\" kind=\"file\">\n-    <name>analysisdata.cpp</name>\n+  <compound refid=\"tests_2arraydata_8cpp\" kind=\"file\">\n+    <name>arraydata.cpp</name>\n   </compound>\n   <compound refid=\"modules_2average_8cpp\" kind=\"file\">\n     <name>average.cpp</name>\n   </compound>\n   <compound refid=\"tests_2average_8cpp\" kind=\"file\">\n     <name>average.cpp</name>\n   </compound>\n@@ -76538,14 +76538,20 @@\n   </compound>\n   <compound refid=\"densityfitting_8h\" kind=\"file\">\n     <name>densityfitting.h</name>\n   </compound>\n   <compound refid=\"densityfittingamplitudelookup_8h\" kind=\"file\">\n     <name>densityfittingamplitudelookup.h</name>\n   </compound>\n+  <compound refid=\"densityfittingforceprovider_8cpp\" kind=\"file\">\n+    <name>densityfittingforceprovider.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2densityfittingforceprovider_8cpp\" kind=\"file\">\n+    <name>densityfittingforceprovider.cpp</name>\n+  </compound>\n   <compound refid=\"densityfittingforceprovider_8h\" kind=\"file\">\n     <name>densityfittingforceprovider.h</name>\n   </compound>\n   <compound refid=\"densityfittingoptions_8h\" kind=\"file\">\n     <name>densityfittingoptions.h</name>\n   </compound>\n   <compound refid=\"densityfittingoutputprovider_8cpp\" kind=\"file\">\n@@ -76568,38 +76574,44 @@\n   </compound>\n   <compound refid=\"densityfittingamplitudelookup_8cpp\" kind=\"file\">\n     <name>densityfittingamplitudelookup.cpp</name>\n   </compound>\n   <compound refid=\"tests_2densityfittingamplitudelookup_8cpp\" kind=\"file\">\n     <name>densityfittingamplitudelookup.cpp</name>\n   </compound>\n-  <compound refid=\"densityfittingforceprovider_8cpp\" kind=\"file\">\n-    <name>densityfittingforceprovider.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2densityfittingforceprovider_8cpp\" kind=\"file\">\n-    <name>densityfittingforceprovider.cpp</name>\n-  </compound>\n   <compound refid=\"densityfittingoptions_8cpp\" kind=\"file\">\n     <name>densityfittingoptions.cpp</name>\n   </compound>\n   <compound refid=\"tests_2densityfittingoptions_8cpp\" kind=\"file\">\n     <name>densityfittingoptions.cpp</name>\n   </compound>\n+  <compound refid=\"electricfield_8cpp\" kind=\"file\">\n+    <name>electricfield.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2electricfield_8cpp\" kind=\"file\">\n+    <name>electricfield.cpp</name>\n+  </compound>\n   <compound refid=\"electricfield_8h\" kind=\"file\">\n     <name>electricfield.h</name>\n   </compound>\n   <compound refid=\"nnpot_8cpp\" kind=\"file\">\n     <name>nnpot.cpp</name>\n   </compound>\n   <compound refid=\"tests_2nnpot_8cpp\" kind=\"file\">\n     <name>nnpot.cpp</name>\n   </compound>\n   <compound refid=\"nnpot_8h\" kind=\"file\">\n     <name>nnpot.h</name>\n   </compound>\n+  <compound refid=\"nnpotforceprovider_8cpp\" kind=\"file\">\n+    <name>nnpotforceprovider.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2nnpotforceprovider_8cpp\" kind=\"file\">\n+    <name>nnpotforceprovider.cpp</name>\n+  </compound>\n   <compound refid=\"nnpotforceprovider_8h\" kind=\"file\">\n     <name>nnpotforceprovider.h</name>\n   </compound>\n   <compound refid=\"nnpotforceprovider__stub_8cpp\" kind=\"file\">\n     <name>nnpotforceprovider_stub.cpp</name>\n   </compound>\n   <compound refid=\"nnpotmodel_8h\" kind=\"file\">\n@@ -76619,20 +76631,14 @@\n   </compound>\n   <compound refid=\"tests_2nnpottopologypreprocessor_8cpp\" kind=\"file\">\n     <name>nnpottopologypreprocessor.cpp</name>\n   </compound>\n   <compound refid=\"nnpottopologypreprocessor_8h\" kind=\"file\">\n     <name>nnpottopologypreprocessor.h</name>\n   </compound>\n-  <compound refid=\"nnpotforceprovider_8cpp\" kind=\"file\">\n-    <name>nnpotforceprovider.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2nnpotforceprovider_8cpp\" kind=\"file\">\n-    <name>nnpotforceprovider.cpp</name>\n-  </compound>\n   <compound refid=\"torchmodel_8cpp\" kind=\"file\">\n     <name>torchmodel.cpp</name>\n   </compound>\n   <compound refid=\"torchmodel_8h\" kind=\"file\">\n     <name>torchmodel.h</name>\n   </compound>\n   <compound refid=\"plumedforceprovider_8cpp\" kind=\"file\">\n@@ -76679,14 +76685,20 @@\n   </compound>\n   <compound refid=\"plumedOptions_8cpp\" kind=\"file\">\n     <name>plumedOptions.cpp</name>\n   </compound>\n   <compound refid=\"tests_2plumedOptions_8cpp\" kind=\"file\">\n     <name>plumedOptions.cpp</name>\n   </compound>\n+  <compound refid=\"qmmm_8cpp\" kind=\"file\">\n+    <name>qmmm.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2qmmm_8cpp\" kind=\"file\">\n+    <name>qmmm.cpp</name>\n+  </compound>\n   <compound refid=\"qmmm_8h\" kind=\"file\">\n     <name>qmmm.h</name>\n   </compound>\n   <compound refid=\"qmmmforceprovider_8cpp\" kind=\"file\">\n     <name>qmmmforceprovider.cpp</name>\n   </compound>\n   <compound refid=\"tests_2qmmmforceprovider_8cpp\" kind=\"file\">\n@@ -76706,20 +76718,14 @@\n   </compound>\n   <compound refid=\"qmmmtopologypreprocessor_8h\" kind=\"file\">\n     <name>qmmmtopologypreprocessor.h</name>\n   </compound>\n   <compound refid=\"qmmmtypes_8h\" kind=\"file\">\n     <name>qmmmtypes.h</name>\n   </compound>\n-  <compound refid=\"qmmm_8cpp\" kind=\"file\">\n-    <name>qmmm.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2qmmm_8cpp\" kind=\"file\">\n-    <name>qmmm.cpp</name>\n-  </compound>\n   <compound refid=\"qmmminputgenerator_8cpp\" kind=\"file\">\n     <name>qmmminputgenerator.cpp</name>\n   </compound>\n   <compound refid=\"tests_2qmmminputgenerator_8cpp\" kind=\"file\">\n     <name>qmmminputgenerator.cpp</name>\n   </compound>\n   <compound refid=\"qmmmoptions_8cpp\" kind=\"file\">\n@@ -76730,20 +76736,14 @@\n   </compound>\n   <compound refid=\"qmmmtopologypreprocessor_8cpp\" kind=\"file\">\n     <name>qmmmtopologypreprocessor.cpp</name>\n   </compound>\n   <compound refid=\"tests_2qmmmtopologypreprocessor_8cpp\" kind=\"file\">\n     <name>qmmmtopologypreprocessor.cpp</name>\n   </compound>\n-  <compound refid=\"electricfield_8cpp\" kind=\"file\">\n-    <name>electricfield.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2electricfield_8cpp\" kind=\"file\">\n-    <name>electricfield.cpp</name>\n-  </compound>\n   <compound refid=\"cmdlinehelpcontext_8cpp\" kind=\"file\">\n     <name>cmdlinehelpcontext.cpp</name>\n   </compound>\n   <compound refid=\"cmdlinehelpcontext_8h\" kind=\"file\">\n     <name>cmdlinehelpcontext.h</name>\n   </compound>\n   <compound refid=\"cmdlinehelpmodule_8cpp\" kind=\"file\">\n@@ -76751,20 +76751,14 @@\n   </compound>\n   <compound refid=\"tests_2cmdlinehelpmodule_8cpp\" kind=\"file\">\n     <name>cmdlinehelpmodule.cpp</name>\n   </compound>\n   <compound refid=\"cmdlinehelpmodule_8h\" kind=\"file\">\n     <name>cmdlinehelpmodule.h</name>\n   </compound>\n-  <compound refid=\"cmdlinehelpwriter_8cpp\" kind=\"file\">\n-    <name>cmdlinehelpwriter.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2cmdlinehelpwriter_8cpp\" kind=\"file\">\n-    <name>cmdlinehelpwriter.cpp</name>\n-  </compound>\n   <compound refid=\"cmdlinehelpwriter_8h\" kind=\"file\">\n     <name>cmdlinehelpwriter.h</name>\n   </compound>\n   <compound refid=\"cmdlineinit_8cpp\" kind=\"file\">\n     <name>cmdlineinit.cpp</name>\n     <member refid=\"cmdlineinit_8cpp_1aa51379f681880e0cb70a072f7ea5abe5\" kind=\"function\">\n       <name>gmx_run_cmain</name>\n@@ -76796,17 +76790,35 @@\n   </compound>\n   <compound refid=\"cmdlineoptionsmodule_8cpp\" kind=\"file\">\n     <name>cmdlineoptionsmodule.cpp</name>\n   </compound>\n   <compound refid=\"cmdlineoptionsmodule_8h\" kind=\"file\">\n     <name>cmdlineoptionsmodule.h</name>\n   </compound>\n+  <compound refid=\"cmdlineparser_8cpp\" kind=\"file\">\n+    <name>cmdlineparser.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2cmdlineparser_8cpp\" kind=\"file\">\n+    <name>cmdlineparser.cpp</name>\n+  </compound>\n   <compound refid=\"cmdlineparser_8h\" kind=\"file\">\n     <name>cmdlineparser.h</name>\n   </compound>\n+  <compound refid=\"cmdlineprogramcontext_8cpp\" kind=\"file\">\n+    <name>cmdlineprogramcontext.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2cmdlineprogramcontext_8cpp\" kind=\"file\">\n+    <name>cmdlineprogramcontext.cpp</name>\n+    <member refid=\"tests_2cmdlineprogramcontext_8cpp_1a8822a2ee752cd448a524f2304b1e68cb\" kind=\"define\">\n+      <name>EXECUTABLE_EXTENSION</name>\n+    </member>\n+    <member refid=\"tests_2cmdlineprogramcontext_8cpp_1a7ed45b697bd048da9276e1b0cec80f06\" kind=\"define\">\n+      <name>TEST_SYMLINKS</name>\n+    </member>\n+  </compound>\n   <compound refid=\"cmdlineprogramcontext_8h\" kind=\"file\">\n     <name>cmdlineprogramcontext.h</name>\n   </compound>\n   <compound refid=\"filenm_8h\" kind=\"file\">\n     <name>filenm.h</name>\n     <member refid=\"group__module__commandline_1ga2c4d042aa134c0ffb23a1553a335fc2c\" kind=\"define\">\n       <name>ffSET</name>\n@@ -76973,38 +76985,26 @@\n   </compound>\n   <compound refid=\"shellcompletions_8cpp\" kind=\"file\">\n     <name>shellcompletions.cpp</name>\n   </compound>\n   <compound refid=\"shellcompletions_8h\" kind=\"file\">\n     <name>shellcompletions.h</name>\n   </compound>\n+  <compound refid=\"cmdlinehelpwriter_8cpp\" kind=\"file\">\n+    <name>cmdlinehelpwriter.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2cmdlinehelpwriter_8cpp\" kind=\"file\">\n+    <name>cmdlinehelpwriter.cpp</name>\n+  </compound>\n   <compound refid=\"cmdlinemodulemanagertest_8cpp\" kind=\"file\">\n     <name>cmdlinemodulemanagertest.cpp</name>\n   </compound>\n   <compound refid=\"cmdlinemodulemanagertest_8h\" kind=\"file\">\n     <name>cmdlinemodulemanagertest.h</name>\n   </compound>\n-  <compound refid=\"cmdlineparser_8cpp\" kind=\"file\">\n-    <name>cmdlineparser.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2cmdlineparser_8cpp\" kind=\"file\">\n-    <name>cmdlineparser.cpp</name>\n-  </compound>\n-  <compound refid=\"cmdlineprogramcontext_8cpp\" kind=\"file\">\n-    <name>cmdlineprogramcontext.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2cmdlineprogramcontext_8cpp\" kind=\"file\">\n-    <name>cmdlineprogramcontext.cpp</name>\n-    <member refid=\"tests_2cmdlineprogramcontext_8cpp_1a8822a2ee752cd448a524f2304b1e68cb\" kind=\"define\">\n-      <name>EXECUTABLE_EXTENSION</name>\n-    </member>\n-    <member refid=\"tests_2cmdlineprogramcontext_8cpp_1a7ed45b697bd048da9276e1b0cec80f06\" kind=\"define\">\n-      <name>TEST_SYMLINKS</name>\n-    </member>\n-  </compound>\n   <compound refid=\"filenm_8cpp\" kind=\"file\">\n     <name>filenm.cpp</name>\n     <member refid=\"filenm_8cpp_1a74630e5294aa0d8475eed5bbb2e792e2\" kind=\"function\">\n       <name>IS_SET</name>\n     </member>\n     <member refid=\"filenm_8cpp_1a039834546c27d6502ab9a1036f51f345\" kind=\"function\">\n       <name>IS_OPT</name>\n@@ -77147,38 +77147,44 @@\n   </compound>\n   <compound refid=\"coordinatefileenums_8h\" kind=\"file\">\n     <name>coordinatefileenums.h</name>\n   </compound>\n   <compound refid=\"frameconverterenums_8h\" kind=\"file\">\n     <name>frameconverterenums.h</name>\n   </compound>\n+  <compound refid=\"frameconverters_2register_8cpp\" kind=\"file\">\n+    <name>register.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2register_8cpp\" kind=\"file\">\n+    <name>register.cpp</name>\n+  </compound>\n   <compound refid=\"register_8h\" kind=\"file\">\n     <name>register.h</name>\n   </compound>\n   <compound refid=\"iframeconverter_8h\" kind=\"file\">\n     <name>iframeconverter.h</name>\n   </compound>\n   <compound refid=\"ioutputadapter_8h\" kind=\"file\">\n     <name>ioutputadapter.h</name>\n   </compound>\n   <compound refid=\"outputadaptercontainer_8h\" kind=\"file\">\n     <name>outputadaptercontainer.h</name>\n   </compound>\n-  <compound refid=\"outputadapters_8h\" kind=\"file\">\n-    <name>outputadapters.h</name>\n-  </compound>\n-  <compound refid=\"tests_2outputadapters_8h\" kind=\"file\">\n-    <name>outputadapters.h</name>\n-  </compound>\n   <compound refid=\"outputselector_8cpp\" kind=\"file\">\n     <name>outputselector.cpp</name>\n   </compound>\n   <compound refid=\"outputselector_8h\" kind=\"file\">\n     <name>outputselector.h</name>\n   </compound>\n+  <compound refid=\"outputadapters_2setatoms_8cpp\" kind=\"file\">\n+    <name>setatoms.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2setatoms_8cpp\" kind=\"file\">\n+    <name>setatoms.cpp</name>\n+  </compound>\n   <compound refid=\"setatoms_8h\" kind=\"file\">\n     <name>setatoms.h</name>\n   </compound>\n   <compound refid=\"setbox_8h\" kind=\"file\">\n     <name>setbox.h</name>\n   </compound>\n   <compound refid=\"setforces_8cpp\" kind=\"file\">\n@@ -77189,32 +77195,38 @@\n   </compound>\n   <compound refid=\"setprecision_8cpp\" kind=\"file\">\n     <name>setprecision.cpp</name>\n   </compound>\n   <compound refid=\"setprecision_8h\" kind=\"file\">\n     <name>setprecision.h</name>\n   </compound>\n+  <compound refid=\"outputadapters_2setstarttime_8cpp\" kind=\"file\">\n+    <name>setstarttime.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2setstarttime_8cpp\" kind=\"file\">\n+    <name>setstarttime.cpp</name>\n+  </compound>\n   <compound refid=\"setstarttime_8h\" kind=\"file\">\n     <name>setstarttime.h</name>\n   </compound>\n+  <compound refid=\"outputadapters_2settimestep_8cpp\" kind=\"file\">\n+    <name>settimestep.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2settimestep_8cpp\" kind=\"file\">\n+    <name>settimestep.cpp</name>\n+  </compound>\n   <compound refid=\"settimestep_8h\" kind=\"file\">\n     <name>settimestep.h</name>\n   </compound>\n   <compound refid=\"setvelocities_8cpp\" kind=\"file\">\n     <name>setvelocities.cpp</name>\n   </compound>\n   <compound refid=\"setvelocities_8h\" kind=\"file\">\n     <name>setvelocities.h</name>\n   </compound>\n-  <compound refid=\"requirements_8cpp\" kind=\"file\">\n-    <name>requirements.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2requirements_8cpp\" kind=\"file\">\n-    <name>requirements.cpp</name>\n-  </compound>\n   <compound refid=\"builder_8cpp\" kind=\"file\">\n     <name>builder.cpp</name>\n   </compound>\n   <compound refid=\"coordinate__test_8h\" kind=\"file\">\n     <name>coordinate_test.h</name>\n   </compound>\n   <compound refid=\"frameconverter_8h\" kind=\"file\">\n@@ -77225,119 +77237,41 @@\n   </compound>\n   <compound refid=\"tests_2outputadaptercontainer_8cpp\" kind=\"file\">\n     <name>outputadaptercontainer.cpp</name>\n   </compound>\n   <compound refid=\"outputadapters_8cpp\" kind=\"file\">\n     <name>outputadapters.cpp</name>\n   </compound>\n-  <compound refid=\"frameconverters_2register_8cpp\" kind=\"file\">\n-    <name>register.cpp</name>\n+  <compound refid=\"outputadapters_8h\" kind=\"file\">\n+    <name>outputadapters.h</name>\n   </compound>\n-  <compound refid=\"tests_2register_8cpp\" kind=\"file\">\n-    <name>register.cpp</name>\n+  <compound refid=\"tests_2outputadapters_8h\" kind=\"file\">\n+    <name>outputadapters.h</name>\n+  </compound>\n+  <compound refid=\"requirements_8cpp\" kind=\"file\">\n+    <name>requirements.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2requirements_8cpp\" kind=\"file\">\n+    <name>requirements.cpp</name>\n   </compound>\n   <compound refid=\"requirements_8h\" kind=\"file\">\n     <name>requirements.h</name>\n   </compound>\n   <compound refid=\"tests_2requirements_8h\" kind=\"file\">\n     <name>requirements.h</name>\n   </compound>\n-  <compound refid=\"outputadapters_2setatoms_8cpp\" kind=\"file\">\n-    <name>setatoms.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2setatoms_8cpp\" kind=\"file\">\n-    <name>setatoms.cpp</name>\n-  </compound>\n   <compound refid=\"setbothtime_8cpp\" kind=\"file\">\n     <name>setbothtime.cpp</name>\n   </compound>\n-  <compound refid=\"outputadapters_2setstarttime_8cpp\" kind=\"file\">\n-    <name>setstarttime.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2setstarttime_8cpp\" kind=\"file\">\n-    <name>setstarttime.cpp</name>\n-  </compound>\n-  <compound refid=\"outputadapters_2settimestep_8cpp\" kind=\"file\">\n-    <name>settimestep.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2settimestep_8cpp\" kind=\"file\">\n-    <name>settimestep.cpp</name>\n-  </compound>\n   <compound refid=\"testmodule_8cpp\" kind=\"file\">\n     <name>testmodule.cpp</name>\n   </compound>\n   <compound refid=\"testmodule_8h\" kind=\"file\">\n     <name>testmodule.h</name>\n   </compound>\n-  <compound refid=\"autocorr_8cpp\" kind=\"file\">\n-    <name>autocorr.cpp</name>\n-    <member refid=\"autocorr_8cpp_1a605dbdf5c9c7c6edbb25ad8981e471d6\" kind=\"define\">\n-      <name>MODE</name>\n-    </member>\n-    <member refid=\"autocorr_8cpp_1a99fb83031ce9923c84392b4e92f956b5\" kind=\"enum\">\n-      <name/>\n-    </member>\n-    <member refid=\"autocorr_8cpp_1a99fb83031ce9923c84392b4e92f956b5a6b76e7c24363b381b6ce46760fa5d05e\" kind=\"enumvalue\">\n-      <name>enNorm</name>\n-    </member>\n-    <member refid=\"autocorr_8cpp_1a99fb83031ce9923c84392b4e92f956b5a33afc5230a7ca178fd16be2e8d0c79e1\" kind=\"enumvalue\">\n-      <name>enCos</name>\n-    </member>\n-    <member refid=\"autocorr_8cpp_1a99fb83031ce9923c84392b4e92f956b5ab47113ce25642de9b603d0b19ada90b0\" kind=\"enumvalue\">\n-      <name>enSin</name>\n-    </member>\n-    <member refid=\"autocorr_8cpp_1aa37e36f81330624944fe74dbf2fae518\" kind=\"variable\">\n-      <name>bACFinit</name>\n-    </member>\n-    <member refid=\"autocorr_8cpp_1a5b7826027fef61b286a2a6c6e7e02615\" kind=\"variable\">\n-      <name>acf</name>\n-    </member>\n-    <member refid=\"autocorr_8cpp_1ae902094ccffe99ee5e65f18316a45c0b\" kind=\"variable\">\n-      <name>Leg</name>\n-    </member>\n-    <member refid=\"autocorr_8cpp_1ac9aea735d8ca2f250d38416aecb6bbee\" kind=\"function\">\n-      <name>low_do_four_core</name>\n-    </member>\n-    <member refid=\"autocorr_8cpp_1a31962f60a4cacc06d974905180d537f2\" kind=\"function\">\n-      <name>do_ac_core</name>\n-    </member>\n-    <member refid=\"autocorr_8cpp_1a415d5aa1ec90e0366c9754df28f3e180\" kind=\"function\">\n-      <name>normalize_acf</name>\n-    </member>\n-    <member refid=\"autocorr_8cpp_1ac53da98a385ba51e429626625bdd07f0\" kind=\"function\">\n-      <name>average_acf</name>\n-    </member>\n-    <member refid=\"autocorr_8cpp_1ae225e0667d9a6856ba697f31ecc40ade\" kind=\"function\">\n-      <name>norm_and_scale_vectors</name>\n-    </member>\n-    <member refid=\"autocorr_8cpp_1a4ae8fea2b75675da74a2c1962078d381\" kind=\"function\">\n-      <name>dump_tmp</name>\n-    </member>\n-    <member refid=\"autocorr_8cpp_1a90153908d36e77fda644d11cfc95b5fd\" kind=\"function\">\n-      <name>do_four_core</name>\n-    </member>\n-    <member refid=\"autocorr_8cpp_1a432989a3b51095ed4fb0264152633459\" kind=\"function\">\n-      <name>low_do_autocorr</name>\n-    </member>\n-    <member refid=\"autocorr_8cpp_1afc2f3037d35ef085a7cbeb54f6f1f2ac\" kind=\"function\">\n-      <name>add_acf_pargs</name>\n-    </member>\n-    <member refid=\"autocorr_8cpp_1ae559575d61ab253f6f81ffbcb318dcd1\" kind=\"function\">\n-      <name>do_autocorr</name>\n-    </member>\n-    <member refid=\"autocorr_8cpp_1a6ffe718811a1de496d0d03c2110907ca\" kind=\"function\">\n-      <name>get_acfnout</name>\n-    </member>\n-    <member refid=\"autocorr_8cpp_1ae8203eca8a282a6a6c3193eb7434e740\" kind=\"function\">\n-      <name>get_acffitfn</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2autocorr_8cpp\" kind=\"file\">\n-    <name>autocorr.cpp</name>\n-  </compound>\n   <compound refid=\"autocorr_8h\" kind=\"file\">\n     <name>autocorr.h</name>\n     <member refid=\"autocorr_8h_1ac286f7100cec1b937d55710988ae68ed\" kind=\"define\">\n       <name>eacNormal</name>\n     </member>\n     <member refid=\"autocorr_8h_1a19575f12ab2de3575d91455dc15b3fce\" kind=\"define\">\n       <name>eacCos</name>\n@@ -77405,14 +77339,98 @@\n     <member refid=\"crosscorr_8h_1a642ec39b43d47cb5eed157de811c96ee\" kind=\"function\">\n       <name>cross_corr</name>\n     </member>\n     <member refid=\"crosscorr_8h_1a953d512f8171310c10a4d0f4121d1a33\" kind=\"function\">\n       <name>many_cross_corr</name>\n     </member>\n   </compound>\n+  <compound refid=\"expfit_8cpp\" kind=\"file\">\n+    <name>expfit.cpp</name>\n+    <member refid=\"expfit_8cpp_1a0381a3f406e1b936be009fb50c833804\" kind=\"variable\">\n+      <name>nfp_ffn</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1a8c5348612f872710564767a5d1a0332e\" kind=\"variable\">\n+      <name>s_ffn</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1a2b482e8680eb63ca781f5bd7a24c527c\" kind=\"variable\">\n+      <name>longs_ffn</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1a06026c9343ea8ff3591390995f1b2158\" kind=\"variable\">\n+      <name>lmcurves</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1a116cccea41845ea588fc00c5dc0f7dce\" kind=\"function\">\n+      <name>effnNparams</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1a3ae96bfbb16e1903388b5264214abac4\" kind=\"function\">\n+      <name>effnDescription</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1a7f2f7deddf6696f3eebe0f5605808b63\" kind=\"function\">\n+      <name>sffn2effn</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1a5ecc8ac1a3e2b6ce4bd41592d584ec5c\" kind=\"function\">\n+      <name>myexp</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1ac3f73c128d077680c37f2deebc929f92\" kind=\"function\">\n+      <name>lmc_erffit</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1a4f061218008fe0f7c1b7fb7bd7c5e44b\" kind=\"function\">\n+      <name>safe_exp</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1a77cdc89d8216490859461a4384c5c37a\" kind=\"function\">\n+      <name>safe_expm1</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1a4ac3e99f76d0174254384e354f4bedd2\" kind=\"function\">\n+      <name>lmc_exp_one_parm</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1ad66884edf75e04320f3582ea964bc308\" kind=\"function\">\n+      <name>lmc_exp_two_parm</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1a19ec7c3d892fe2465148ad4f96e8828c\" kind=\"function\">\n+      <name>lmc_exp_exp</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1a820ce3881e566aaacf844e6c186ffbdf\" kind=\"function\">\n+      <name>lmc_exp_5_parm</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1a37ccaa07967f4b4e54f3a440b2e93932\" kind=\"function\">\n+      <name>lmc_exp_7_parm</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1a2f4ac9f1d41c9f671406477cbc8e0947\" kind=\"function\">\n+      <name>lmc_exp_9_parm</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1af6a1f07dff0447c6961c4abce29be7a4\" kind=\"function\">\n+      <name>lmc_pres_6_parm</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1a8913f15b4dae1a635117107dedd1b033\" kind=\"function\">\n+      <name>lmc_vac_2_parm</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1a9806be64773ad64b46c6df69ffd0fca0\" kind=\"function\">\n+      <name>lmc_errest_3_parm</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1a22c8e7646cd3811775f2a02a66799964\" kind=\"function\">\n+      <name>fit_function</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1af5a14b4d792f8dcb34d3b24cfa7fcf28\" kind=\"function\">\n+      <name>initiate_fit_params</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1ac49f5dfe7d1124d4afa2345a065c0e0a\" kind=\"function\">\n+      <name>extract_fit_params</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1ad0d5c84278351b2f9cbb82c034012de5\" kind=\"function\">\n+      <name>print_chi2_params</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1a2d6fa41a60d6682a8ae04e199d862613\" kind=\"function\">\n+      <name>do_lmfit</name>\n+    </member>\n+    <member refid=\"expfit_8cpp_1a560ea7d97277b9e0576776ec695fb9b3\" kind=\"function\">\n+      <name>fit_acf</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2expfit_8cpp\" kind=\"file\">\n+    <name>expfit.cpp</name>\n+  </compound>\n   <compound refid=\"expfit_8h\" kind=\"file\">\n     <name>expfit.h</name>\n     <member refid=\"expfit_8h_1abc6126af1d45847bc59afa0aa3216b04\" kind=\"enum\">\n       <name/>\n     </member>\n     <member refid=\"expfit_8h_1abc6126af1d45847bc59afa0aa3216b04a656df973349584e9fdf40e758643a466\" kind=\"enumvalue\">\n       <name>effnNONE</name>\n@@ -77504,14 +77522,23 @@\n     <member refid=\"integrate_8h_1a6efd3fb6110b8a9030675e2190993233\" kind=\"function\">\n       <name>print_and_integrate</name>\n     </member>\n     <member refid=\"integrate_8h_1a38e20dac9ec9e663be10d6c3668d1cbc\" kind=\"function\">\n       <name>evaluate_integral</name>\n     </member>\n   </compound>\n+  <compound refid=\"manyautocorrelation_8cpp\" kind=\"file\">\n+    <name>manyautocorrelation.cpp</name>\n+    <member refid=\"manyautocorrelation_8cpp_1ad3b9966ff6279f6316c3c898e31f0dee\" kind=\"function\">\n+      <name>many_auto_correl</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2manyautocorrelation_8cpp\" kind=\"file\">\n+    <name>manyautocorrelation.cpp</name>\n+  </compound>\n   <compound refid=\"manyautocorrelation_8h\" kind=\"file\">\n     <name>manyautocorrelation.h</name>\n     <member refid=\"manyautocorrelation_8h_1ad3b9966ff6279f6316c3c898e31f0dee\" kind=\"function\">\n       <name>many_auto_correl</name>\n     </member>\n   </compound>\n   <compound refid=\"polynomials_8cpp\" kind=\"file\">\n@@ -77522,112 +77549,85 @@\n   </compound>\n   <compound refid=\"polynomials_8h\" kind=\"file\">\n     <name>polynomials.h</name>\n     <member refid=\"polynomials_8h_1a24cac462becd0bc1b54ba58d119a9f79\" kind=\"function\">\n       <name>LegendreP</name>\n     </member>\n   </compound>\n-  <compound refid=\"correlationdataset_8cpp\" kind=\"file\">\n-    <name>correlationdataset.cpp</name>\n-  </compound>\n-  <compound refid=\"correlationdataset_8h\" kind=\"file\">\n-    <name>correlationdataset.h</name>\n-  </compound>\n-  <compound refid=\"expfit_8cpp\" kind=\"file\">\n-    <name>expfit.cpp</name>\n-    <member refid=\"expfit_8cpp_1a0381a3f406e1b936be009fb50c833804\" kind=\"variable\">\n-      <name>nfp_ffn</name>\n-    </member>\n-    <member refid=\"expfit_8cpp_1a8c5348612f872710564767a5d1a0332e\" kind=\"variable\">\n-      <name>s_ffn</name>\n-    </member>\n-    <member refid=\"expfit_8cpp_1a2b482e8680eb63ca781f5bd7a24c527c\" kind=\"variable\">\n-      <name>longs_ffn</name>\n-    </member>\n-    <member refid=\"expfit_8cpp_1a06026c9343ea8ff3591390995f1b2158\" kind=\"variable\">\n-      <name>lmcurves</name>\n-    </member>\n-    <member refid=\"expfit_8cpp_1a116cccea41845ea588fc00c5dc0f7dce\" kind=\"function\">\n-      <name>effnNparams</name>\n-    </member>\n-    <member refid=\"expfit_8cpp_1a3ae96bfbb16e1903388b5264214abac4\" kind=\"function\">\n-      <name>effnDescription</name>\n-    </member>\n-    <member refid=\"expfit_8cpp_1a7f2f7deddf6696f3eebe0f5605808b63\" kind=\"function\">\n-      <name>sffn2effn</name>\n+  <compound refid=\"autocorr_8cpp\" kind=\"file\">\n+    <name>autocorr.cpp</name>\n+    <member refid=\"autocorr_8cpp_1a605dbdf5c9c7c6edbb25ad8981e471d6\" kind=\"define\">\n+      <name>MODE</name>\n     </member>\n-    <member refid=\"expfit_8cpp_1a5ecc8ac1a3e2b6ce4bd41592d584ec5c\" kind=\"function\">\n-      <name>myexp</name>\n+    <member refid=\"autocorr_8cpp_1a99fb83031ce9923c84392b4e92f956b5\" kind=\"enum\">\n+      <name/>\n     </member>\n-    <member refid=\"expfit_8cpp_1ac3f73c128d077680c37f2deebc929f92\" kind=\"function\">\n-      <name>lmc_erffit</name>\n+    <member refid=\"autocorr_8cpp_1a99fb83031ce9923c84392b4e92f956b5a6b76e7c24363b381b6ce46760fa5d05e\" kind=\"enumvalue\">\n+      <name>enNorm</name>\n     </member>\n-    <member refid=\"expfit_8cpp_1a4f061218008fe0f7c1b7fb7bd7c5e44b\" kind=\"function\">\n-      <name>safe_exp</name>\n+    <member refid=\"autocorr_8cpp_1a99fb83031ce9923c84392b4e92f956b5a33afc5230a7ca178fd16be2e8d0c79e1\" kind=\"enumvalue\">\n+      <name>enCos</name>\n     </member>\n-    <member refid=\"expfit_8cpp_1a77cdc89d8216490859461a4384c5c37a\" kind=\"function\">\n-      <name>safe_expm1</name>\n+    <member refid=\"autocorr_8cpp_1a99fb83031ce9923c84392b4e92f956b5ab47113ce25642de9b603d0b19ada90b0\" kind=\"enumvalue\">\n+      <name>enSin</name>\n     </member>\n-    <member refid=\"expfit_8cpp_1a4ac3e99f76d0174254384e354f4bedd2\" kind=\"function\">\n-      <name>lmc_exp_one_parm</name>\n+    <member refid=\"autocorr_8cpp_1aa37e36f81330624944fe74dbf2fae518\" kind=\"variable\">\n+      <name>bACFinit</name>\n     </member>\n-    <member refid=\"expfit_8cpp_1ad66884edf75e04320f3582ea964bc308\" kind=\"function\">\n-      <name>lmc_exp_two_parm</name>\n+    <member refid=\"autocorr_8cpp_1a5b7826027fef61b286a2a6c6e7e02615\" kind=\"variable\">\n+      <name>acf</name>\n     </member>\n-    <member refid=\"expfit_8cpp_1a19ec7c3d892fe2465148ad4f96e8828c\" kind=\"function\">\n-      <name>lmc_exp_exp</name>\n+    <member refid=\"autocorr_8cpp_1ae902094ccffe99ee5e65f18316a45c0b\" kind=\"variable\">\n+      <name>Leg</name>\n     </member>\n-    <member refid=\"expfit_8cpp_1a820ce3881e566aaacf844e6c186ffbdf\" kind=\"function\">\n-      <name>lmc_exp_5_parm</name>\n+    <member refid=\"autocorr_8cpp_1ac9aea735d8ca2f250d38416aecb6bbee\" kind=\"function\">\n+      <name>low_do_four_core</name>\n     </member>\n-    <member refid=\"expfit_8cpp_1a37ccaa07967f4b4e54f3a440b2e93932\" kind=\"function\">\n-      <name>lmc_exp_7_parm</name>\n+    <member refid=\"autocorr_8cpp_1a31962f60a4cacc06d974905180d537f2\" kind=\"function\">\n+      <name>do_ac_core</name>\n     </member>\n-    <member refid=\"expfit_8cpp_1a2f4ac9f1d41c9f671406477cbc8e0947\" kind=\"function\">\n-      <name>lmc_exp_9_parm</name>\n+    <member refid=\"autocorr_8cpp_1a415d5aa1ec90e0366c9754df28f3e180\" kind=\"function\">\n+      <name>normalize_acf</name>\n     </member>\n-    <member refid=\"expfit_8cpp_1af6a1f07dff0447c6961c4abce29be7a4\" kind=\"function\">\n-      <name>lmc_pres_6_parm</name>\n+    <member refid=\"autocorr_8cpp_1ac53da98a385ba51e429626625bdd07f0\" kind=\"function\">\n+      <name>average_acf</name>\n     </member>\n-    <member refid=\"expfit_8cpp_1a8913f15b4dae1a635117107dedd1b033\" kind=\"function\">\n-      <name>lmc_vac_2_parm</name>\n+    <member refid=\"autocorr_8cpp_1ae225e0667d9a6856ba697f31ecc40ade\" kind=\"function\">\n+      <name>norm_and_scale_vectors</name>\n     </member>\n-    <member refid=\"expfit_8cpp_1a9806be64773ad64b46c6df69ffd0fca0\" kind=\"function\">\n-      <name>lmc_errest_3_parm</name>\n+    <member refid=\"autocorr_8cpp_1a4ae8fea2b75675da74a2c1962078d381\" kind=\"function\">\n+      <name>dump_tmp</name>\n     </member>\n-    <member refid=\"expfit_8cpp_1a22c8e7646cd3811775f2a02a66799964\" kind=\"function\">\n-      <name>fit_function</name>\n+    <member refid=\"autocorr_8cpp_1a90153908d36e77fda644d11cfc95b5fd\" kind=\"function\">\n+      <name>do_four_core</name>\n     </member>\n-    <member refid=\"expfit_8cpp_1af5a14b4d792f8dcb34d3b24cfa7fcf28\" kind=\"function\">\n-      <name>initiate_fit_params</name>\n+    <member refid=\"autocorr_8cpp_1a432989a3b51095ed4fb0264152633459\" kind=\"function\">\n+      <name>low_do_autocorr</name>\n     </member>\n-    <member refid=\"expfit_8cpp_1ac49f5dfe7d1124d4afa2345a065c0e0a\" kind=\"function\">\n-      <name>extract_fit_params</name>\n+    <member refid=\"autocorr_8cpp_1afc2f3037d35ef085a7cbeb54f6f1f2ac\" kind=\"function\">\n+      <name>add_acf_pargs</name>\n     </member>\n-    <member refid=\"expfit_8cpp_1ad0d5c84278351b2f9cbb82c034012de5\" kind=\"function\">\n-      <name>print_chi2_params</name>\n+    <member refid=\"autocorr_8cpp_1ae559575d61ab253f6f81ffbcb318dcd1\" kind=\"function\">\n+      <name>do_autocorr</name>\n     </member>\n-    <member refid=\"expfit_8cpp_1a2d6fa41a60d6682a8ae04e199d862613\" kind=\"function\">\n-      <name>do_lmfit</name>\n+    <member refid=\"autocorr_8cpp_1a6ffe718811a1de496d0d03c2110907ca\" kind=\"function\">\n+      <name>get_acfnout</name>\n     </member>\n-    <member refid=\"expfit_8cpp_1a560ea7d97277b9e0576776ec695fb9b3\" kind=\"function\">\n-      <name>fit_acf</name>\n+    <member refid=\"autocorr_8cpp_1ae8203eca8a282a6a6c3193eb7434e740\" kind=\"function\">\n+      <name>get_acffitfn</name>\n     </member>\n   </compound>\n-  <compound refid=\"tests_2expfit_8cpp\" kind=\"file\">\n-    <name>expfit.cpp</name>\n+  <compound refid=\"tests_2autocorr_8cpp\" kind=\"file\">\n+    <name>autocorr.cpp</name>\n   </compound>\n-  <compound refid=\"manyautocorrelation_8cpp\" kind=\"file\">\n-    <name>manyautocorrelation.cpp</name>\n-    <member refid=\"manyautocorrelation_8cpp_1ad3b9966ff6279f6316c3c898e31f0dee\" kind=\"function\">\n-      <name>many_auto_correl</name>\n-    </member>\n+  <compound refid=\"correlationdataset_8cpp\" kind=\"file\">\n+    <name>correlationdataset.cpp</name>\n   </compound>\n-  <compound refid=\"tests_2manyautocorrelation_8cpp\" kind=\"file\">\n-    <name>manyautocorrelation.cpp</name>\n+  <compound refid=\"correlationdataset_8h\" kind=\"file\">\n+    <name>correlationdataset.h</name>\n   </compound>\n   <compound refid=\"atomdistribution_8cpp\" kind=\"file\">\n     <name>atomdistribution.cpp</name>\n     <member refid=\"atomdistribution_8cpp_1ad3c839e015f56c142bcf28b44b51f8c8\" kind=\"function\">\n       <name>numRanks</name>\n     </member>\n     <member refid=\"atomdistribution_8cpp_1a6324027a460a49578da9eb57c56eff39\" kind=\"function\">\n@@ -78602,41 +78602,14 @@\n   </compound>\n   <compound refid=\"domdec__zones_8cpp\" kind=\"file\">\n     <name>domdec_zones.cpp</name>\n   </compound>\n   <compound refid=\"domdec__zones_8h\" kind=\"file\">\n     <name>domdec_zones.h</name>\n   </compound>\n-  <compound refid=\"domdec_2dump_8cpp\" kind=\"file\">\n-    <name>dump.cpp</name>\n-    <member refid=\"domdec_2dump_8cpp_1a24ad4a51109a28e8e9c62508b9e42647\" kind=\"function\">\n-      <name>write_dd_grid_pdb</name>\n-    </member>\n-    <member refid=\"domdec_2dump_8cpp_1a1bd82c86c0d8c32a9ee429e70eaaa803\" kind=\"function\">\n-      <name>write_dd_pdb</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tools_2dump_8cpp\" kind=\"file\">\n-    <name>dump.cpp</name>\n-  </compound>\n-  <compound refid=\"tools_2tests_2dump_8cpp\" kind=\"file\">\n-    <name>dump.cpp</name>\n-  </compound>\n-  <compound refid=\"domdec_2dump_8h\" kind=\"file\">\n-    <name>dump.h</name>\n-    <member refid=\"domdec_2dump_8h_1a24ad4a51109a28e8e9c62508b9e42647\" kind=\"function\">\n-      <name>write_dd_grid_pdb</name>\n-    </member>\n-    <member refid=\"domdec_2dump_8h_1a1bd82c86c0d8c32a9ee429e70eaaa803\" kind=\"function\">\n-      <name>write_dd_pdb</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tools_2dump_8h\" kind=\"file\">\n-    <name>dump.h</name>\n-  </compound>\n   <compound refid=\"ga2la_8cpp\" kind=\"file\">\n     <name>ga2la.cpp</name>\n     <member refid=\"ga2la_8cpp_1a8743daa1d64af916f994ad4261a2eb25\" kind=\"function\">\n       <name>directListIsFaster</name>\n     </member>\n   </compound>\n   <compound refid=\"ga2la_8h\" kind=\"file\">\n@@ -78683,14 +78656,20 @@\n   </compound>\n   <compound refid=\"localatomsetdata_8cpp\" kind=\"file\">\n     <name>localatomsetdata.cpp</name>\n   </compound>\n   <compound refid=\"localatomsetdata_8h\" kind=\"file\">\n     <name>localatomsetdata.h</name>\n   </compound>\n+  <compound refid=\"localatomsetmanager_8cpp\" kind=\"file\">\n+    <name>localatomsetmanager.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2localatomsetmanager_8cpp\" kind=\"file\">\n+    <name>localatomsetmanager.cpp</name>\n+  </compound>\n   <compound refid=\"localatomsetmanager_8h\" kind=\"file\">\n     <name>localatomsetmanager.h</name>\n   </compound>\n   <compound refid=\"localtopology_8cpp\" kind=\"file\">\n     <name>localtopology.cpp</name>\n     <member refid=\"localtopology_8cpp_1a1f902c679cbc7b7d2a72c24b0ad5c6c8\" kind=\"function\">\n       <name>atomInMolblockFromGlobalAtomnr</name>\n@@ -79046,20 +79025,14 @@\n   </compound>\n   <compound refid=\"haloexchange__mpi_8cpp\" kind=\"file\">\n     <name>haloexchange_mpi.cpp</name>\n   </compound>\n   <compound refid=\"hashedmap_8cpp\" kind=\"file\">\n     <name>hashedmap.cpp</name>\n   </compound>\n-  <compound refid=\"localatomsetmanager_8cpp\" kind=\"file\">\n-    <name>localatomsetmanager.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2localatomsetmanager_8cpp\" kind=\"file\">\n-    <name>localatomsetmanager.cpp</name>\n-  </compound>\n   <compound refid=\"utility_8cpp\" kind=\"file\">\n     <name>utility.cpp</name>\n     <member refid=\"utility_8cpp_1a0e6754210d3da6c83df0026fac81c8d7\" kind=\"function\">\n       <name>dim2char</name>\n     </member>\n     <member refid=\"utility_8cpp_1a6f8a7f243efd91fe9555ab433ec54564\" kind=\"function\">\n       <name>make_tric_corr_matrix</name>\n@@ -79067,71 +79040,35 @@\n     <member refid=\"utility_8cpp_1abf5bf826810f43d008e33df3fb2bdf1f\" kind=\"function\">\n       <name>check_screw_box</name>\n     </member>\n     <member refid=\"utility_8cpp_1a0863c8645b840ad39fd0f12a974e8b74\" kind=\"function\">\n       <name>dd_resize_atominfo_and_state</name>\n     </member>\n   </compound>\n-  <compound refid=\"domdec_2utility_8h\" kind=\"file\">\n-    <name>utility.h</name>\n-    <member refid=\"domdec_2utility_8h_1ad8be86df1243f4c4cf275e130ca8c6df\" kind=\"function\">\n-      <name>isDlbOn</name>\n-    </member>\n-    <member refid=\"domdec_2utility_8h_1ad57e700f3ebb0a127187ca3d1b0e8211\" kind=\"function\">\n-      <name>isDlbDisabled</name>\n-    </member>\n-    <member refid=\"domdec_2utility_8h_1a0e6754210d3da6c83df0026fac81c8d7\" kind=\"function\">\n-      <name>dim2char</name>\n-    </member>\n-    <member refid=\"domdec_2utility_8h_1a6f8a7f243efd91fe9555ab433ec54564\" kind=\"function\">\n-      <name>make_tric_corr_matrix</name>\n-    </member>\n-    <member refid=\"domdec_2utility_8h_1abf5bf826810f43d008e33df3fb2bdf1f\" kind=\"function\">\n-      <name>check_screw_box</name>\n-    </member>\n-    <member refid=\"domdec_2utility_8h_1a155480532c8a0a96130c1751c53cc868\" kind=\"function\">\n-      <name>ddGetAtomInfo</name>\n-    </member>\n-    <member refid=\"domdec_2utility_8h_1add55e8ee06aa3b942947af95265badec\" kind=\"function\">\n-      <name>dd_load_count</name>\n-    </member>\n-    <member refid=\"domdec_2utility_8h_1affcd5680a909d4f7e36a42b0c53c0a3b\" kind=\"function\">\n-      <name>dd_resize_atominfo_and_state</name>\n-    </member>\n-    <member refid=\"domdec_2utility_8h_1a348cc51cf67fa4a05a780abdf4643c69\" kind=\"function\">\n-      <name>atomToAtomIntoDomainToDomainCutoff</name>\n-    </member>\n-    <member refid=\"domdec_2utility_8h_1a5d94f58e6d190b2f9e30012f41cb65c2\" kind=\"function\">\n-      <name>domainToDomainIntoAtomToDomainCutoff</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"utility_8h\" kind=\"file\">\n-    <name>utility.h</name>\n-  </compound>\n   <compound refid=\"api_2legacy_2include_2gromacs_2trajectoryanalysis_2analysismodule_8h\" kind=\"file\">\n     <name>analysismodule.h</name>\n   </compound>\n   <compound refid=\"src_2gromacs_2energyanalysis_2analysismodule_8h\" kind=\"file\">\n     <name>analysismodule.h</name>\n   </compound>\n   <compound refid=\"energyanalysisframe_8h\" kind=\"file\">\n     <name>energyanalysisframe.h</name>\n   </compound>\n-  <compound refid=\"energyterm_8cpp\" kind=\"file\">\n-    <name>energyterm.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2energyterm_8cpp\" kind=\"file\">\n-    <name>energyterm.cpp</name>\n-  </compound>\n   <compound refid=\"energyterm_8h\" kind=\"file\">\n     <name>energyterm.h</name>\n   </compound>\n   <compound refid=\"ienergyanalysis_8h\" kind=\"file\">\n     <name>ienergyanalysis.h</name>\n   </compound>\n+  <compound refid=\"energyterm_8cpp\" kind=\"file\">\n+    <name>energyterm.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2energyterm_8cpp\" kind=\"file\">\n+    <name>energyterm.cpp</name>\n+  </compound>\n   <compound refid=\"legacyenergy_8cpp\" kind=\"file\">\n     <name>legacyenergy.cpp</name>\n   </compound>\n   <compound refid=\"edsam_8cpp\" kind=\"file\">\n     <name>edsam.cpp</name>\n     <member refid=\"edsam_8cpp_1acb231fba73f216d2ad019ca28ddc8d59\" kind=\"typedef\">\n       <name>t_edpar</name>\n@@ -79379,14 +79316,101 @@\n   </compound>\n   <compound refid=\"long__range__correction_8h\" kind=\"file\">\n     <name>long_range_correction.h</name>\n     <member refid=\"long__range__correction_8h_1ac557b763e9b0bbcf0ec9663891a46409\" kind=\"function\">\n       <name>ewald_LRcorrection</name>\n     </member>\n   </compound>\n+  <compound refid=\"pme_8cpp\" kind=\"file\">\n+    <name>pme.cpp</name>\n+    <member refid=\"pme_8cpp_1a36c5a3e4872fe57779ce11f166c22bad\" kind=\"variable\">\n+      <name>gmxCacheLineSize</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a8c1a3fa279f72a26deffce255bb374d9\" kind=\"function\">\n+      <name>pme_gpu_supports_build</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1aece8df7226a093dc75cf627631c52304\" kind=\"function\">\n+      <name>pme_gpu_supports_input</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a00b99237202396dd10f249a354b85b71\" kind=\"function\">\n+      <name>pme_gpu_mixed_mode_supports_input</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a30f29ab01f4617cea28a55ee8552ee6a\" kind=\"function\">\n+      <name>pme_gpu_check_restrictions</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a9cfbe9fa691aabaf1a9e10fa06858c96\" kind=\"function\">\n+      <name>pme_run_mode</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1ace2ad200713ffbae9c71d92d92a83d6f\" kind=\"function\">\n+      <name>pme_get_pinning_policy</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1afe8d2b3d7dee7840d653fc9aa1d217fc\" kind=\"function\">\n+      <name>setup_coordinate_communication</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a866e345e15a8e70ecdd4b828bffa4c00\" kind=\"function\">\n+      <name>mult_up</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a712c4245133ef3c597852d8e47967480\" kind=\"function\">\n+      <name>estimate_pme_load_imbalance</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1adc7254f927a9870f36b27a851dbf43cc\" kind=\"function\">\n+      <name>init_overlap_comm</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a3167e04d492823ba4279c5e11417cb8f\" kind=\"function\">\n+      <name>minimalPmeGridSize</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a051edf566a3e2473103a7e87b4a62e0c\" kind=\"function\">\n+      <name>numGridLinesForExtendedHaloRegion</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1ace5b9e0ec59d3dd3e3a21c891bb459b4\" kind=\"function\">\n+      <name>getGridSpacingFromBox</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a5c4fecfcddcabc83d73c85042c935f96\" kind=\"function\">\n+      <name>gmx_pme_check_restrictions</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1ab94c6aa2b36487724ef0597bb9d4c11e\" kind=\"function\">\n+      <name>initGrids</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a39e800d9a258e0c8a553fa7b71e10dcf\" kind=\"function\">\n+      <name>gmx_pme_init</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1ab1d5c3f2e6e75de3f38107c0acd92c6d\" kind=\"function\">\n+      <name>gmx_pme_reinit</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1af28e0ce531d0251546501a7f192f25f2\" kind=\"function\">\n+      <name>gmx_pme_calc_energy</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a3ec34dcc681a27524bf9c41d374d9179\" kind=\"function\">\n+      <name>calc_initial_lb_coeffs</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1aef944d976bf526375deee4144b1436c0\" kind=\"function\">\n+      <name>calc_next_lb_coeffs</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1ae9d5a3c227bbe220bd732be51ec92d9b\" kind=\"function\">\n+      <name>gmx_pme_do</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a139505c640fd5946cdcde79d232a8411\" kind=\"function\">\n+      <name>parallel_3dfft_destroy</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1ac5a75a2d477885fcb0260908f6e7b2f2\" kind=\"function\">\n+      <name>gmx_pme_destroy</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1afb9db2681fc072d6b4176febca9831c6\" kind=\"function\">\n+      <name>gmx_pme_destroy</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a1502bc293ce8fb854adf4648a1d2d4c7\" kind=\"function\">\n+      <name>gmx_pme_reinit_atoms</name>\n+    </member>\n+    <member refid=\"pme_8cpp_1a90e8466d51fc7f91409cce40287f1d14\" kind=\"function\">\n+      <name>gmx_pme_grid_matches</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2pme_8cpp\" kind=\"file\">\n+    <name>pme.cpp</name>\n+  </compound>\n   <compound refid=\"pme_8h\" kind=\"file\">\n     <name>pme.h</name>\n     <member refid=\"pme_8h_1a0411cd49bb5b71852cecd93bcbf0ca2d\" kind=\"enum\">\n       <name/>\n     </member>\n     <member refid=\"pme_8h_1a0411cd49bb5b71852cecd93bcbf0ca2da6fde025357df3abb2792aaf0486b3c2c\" kind=\"enumvalue\">\n       <name>GMX_SUM_GRID_FORWARD</name>\n@@ -80966,101 +80990,14 @@\n     <member refid=\"pme__spread__sycl_8cpp_1a0ea1c4d722243575b37fc4927244b1d2\" kind=\"function\">\n       <name>pmeSplineAndSpreadKernel</name>\n     </member>\n   </compound>\n   <compound refid=\"pme__spread__sycl_8h\" kind=\"file\">\n     <name>pme_spread_sycl.h</name>\n   </compound>\n-  <compound refid=\"pme_8cpp\" kind=\"file\">\n-    <name>pme.cpp</name>\n-    <member refid=\"pme_8cpp_1a36c5a3e4872fe57779ce11f166c22bad\" kind=\"variable\">\n-      <name>gmxCacheLineSize</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a8c1a3fa279f72a26deffce255bb374d9\" kind=\"function\">\n-      <name>pme_gpu_supports_build</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1aece8df7226a093dc75cf627631c52304\" kind=\"function\">\n-      <name>pme_gpu_supports_input</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a00b99237202396dd10f249a354b85b71\" kind=\"function\">\n-      <name>pme_gpu_mixed_mode_supports_input</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a30f29ab01f4617cea28a55ee8552ee6a\" kind=\"function\">\n-      <name>pme_gpu_check_restrictions</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a9cfbe9fa691aabaf1a9e10fa06858c96\" kind=\"function\">\n-      <name>pme_run_mode</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1ace2ad200713ffbae9c71d92d92a83d6f\" kind=\"function\">\n-      <name>pme_get_pinning_policy</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1afe8d2b3d7dee7840d653fc9aa1d217fc\" kind=\"function\">\n-      <name>setup_coordinate_communication</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a866e345e15a8e70ecdd4b828bffa4c00\" kind=\"function\">\n-      <name>mult_up</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a712c4245133ef3c597852d8e47967480\" kind=\"function\">\n-      <name>estimate_pme_load_imbalance</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1adc7254f927a9870f36b27a851dbf43cc\" kind=\"function\">\n-      <name>init_overlap_comm</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a3167e04d492823ba4279c5e11417cb8f\" kind=\"function\">\n-      <name>minimalPmeGridSize</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a051edf566a3e2473103a7e87b4a62e0c\" kind=\"function\">\n-      <name>numGridLinesForExtendedHaloRegion</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1ace5b9e0ec59d3dd3e3a21c891bb459b4\" kind=\"function\">\n-      <name>getGridSpacingFromBox</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a5c4fecfcddcabc83d73c85042c935f96\" kind=\"function\">\n-      <name>gmx_pme_check_restrictions</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1ab94c6aa2b36487724ef0597bb9d4c11e\" kind=\"function\">\n-      <name>initGrids</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a39e800d9a258e0c8a553fa7b71e10dcf\" kind=\"function\">\n-      <name>gmx_pme_init</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1ab1d5c3f2e6e75de3f38107c0acd92c6d\" kind=\"function\">\n-      <name>gmx_pme_reinit</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1af28e0ce531d0251546501a7f192f25f2\" kind=\"function\">\n-      <name>gmx_pme_calc_energy</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a3ec34dcc681a27524bf9c41d374d9179\" kind=\"function\">\n-      <name>calc_initial_lb_coeffs</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1aef944d976bf526375deee4144b1436c0\" kind=\"function\">\n-      <name>calc_next_lb_coeffs</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1ae9d5a3c227bbe220bd732be51ec92d9b\" kind=\"function\">\n-      <name>gmx_pme_do</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a139505c640fd5946cdcde79d232a8411\" kind=\"function\">\n-      <name>parallel_3dfft_destroy</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1ac5a75a2d477885fcb0260908f6e7b2f2\" kind=\"function\">\n-      <name>gmx_pme_destroy</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1afb9db2681fc072d6b4176febca9831c6\" kind=\"function\">\n-      <name>gmx_pme_destroy</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a1502bc293ce8fb854adf4648a1d2d4c7\" kind=\"function\">\n-      <name>gmx_pme_reinit_atoms</name>\n-    </member>\n-    <member refid=\"pme_8cpp_1a90e8466d51fc7f91409cce40287f1d14\" kind=\"function\">\n-      <name>gmx_pme_grid_matches</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2pme_8cpp\" kind=\"file\">\n-    <name>pme.cpp</name>\n-  </compound>\n   <compound refid=\"pmebsplinetest_8cpp\" kind=\"file\">\n     <name>pmebsplinetest.cpp</name>\n   </compound>\n   <compound refid=\"pmegathertest_8cpp\" kind=\"file\">\n     <name>pmegathertest.cpp</name>\n   </compound>\n   <compound refid=\"pmesolvetest_8cpp\" kind=\"file\">\n@@ -81095,14 +81032,41 @@\n   </compound>\n   <compound refid=\"calcgrid_8h\" kind=\"file\">\n     <name>calcgrid.h</name>\n     <member refid=\"calcgrid_8h_1a93c2f59abd0fbe468c5e51d8c3c9b9a8\" kind=\"function\">\n       <name>calcFftGrid</name>\n     </member>\n   </compound>\n+  <compound refid=\"fft_8cpp\" kind=\"file\">\n+    <name>fft.cpp</name>\n+    <member refid=\"fft_8cpp_1a0480bd54f6694c0d4b6621c33cf67b89\" kind=\"typedef\">\n+      <name>gmx_many_fft_t</name>\n+    </member>\n+    <member refid=\"fft_8cpp_1adce6d0b24710ceec9dad481b5210ebd8\" kind=\"function\">\n+      <name>gmx_fft_init_many_1d</name>\n+    </member>\n+    <member refid=\"fft_8cpp_1adfd5fc4c5d44560a6fd3c07ce78bce6e\" kind=\"function\">\n+      <name>gmx_fft_init_many_1d_real</name>\n+    </member>\n+    <member refid=\"fft_8cpp_1af722773aa9ec88a4984aed9d4c1820f5\" kind=\"function\">\n+      <name>gmx_fft_many_1d</name>\n+    </member>\n+    <member refid=\"fft_8cpp_1ae96f00b2f99bc877a359185332216d8c\" kind=\"function\">\n+      <name>gmx_fft_many_1d_real</name>\n+    </member>\n+    <member refid=\"fft_8cpp_1ade0d0b112bcb9ba359e5fc35944b5693\" kind=\"function\">\n+      <name>gmx_many_fft_destroy</name>\n+    </member>\n+    <member refid=\"fft_8cpp_1a05cf1a5a8427f30bbbc35ccbf89128d7\" kind=\"function\">\n+      <name>gmx_fft_transpose_2d</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2fft_8cpp\" kind=\"file\">\n+    <name>fft.cpp</name>\n+  </compound>\n   <compound refid=\"fft_8h\" kind=\"file\">\n     <name>fft.h</name>\n     <member refid=\"fft_8h_1af2aa0b3a5f3a4339ecb2bd67cb8f8302\" kind=\"enum\">\n       <name>gmx_fft_direction</name>\n     </member>\n     <member refid=\"fft_8h_1af2aa0b3a5f3a4339ecb2bd67cb8f8302a27ed3f7728bda473c6ebe5cb4cd56a3b\" kind=\"enumvalue\">\n       <name>GMX_FFT_FORWARD</name>\n@@ -81545,41 +81509,14 @@\n   </compound>\n   <compound refid=\"rocfft__common__utils_8cpp\" kind=\"file\">\n     <name>rocfft_common_utils.cpp</name>\n   </compound>\n   <compound refid=\"rocfft__common__utils_8h\" kind=\"file\">\n     <name>rocfft_common_utils.h</name>\n   </compound>\n-  <compound refid=\"fft_8cpp\" kind=\"file\">\n-    <name>fft.cpp</name>\n-    <member refid=\"fft_8cpp_1a0480bd54f6694c0d4b6621c33cf67b89\" kind=\"typedef\">\n-      <name>gmx_many_fft_t</name>\n-    </member>\n-    <member refid=\"fft_8cpp_1adce6d0b24710ceec9dad481b5210ebd8\" kind=\"function\">\n-      <name>gmx_fft_init_many_1d</name>\n-    </member>\n-    <member refid=\"fft_8cpp_1adfd5fc4c5d44560a6fd3c07ce78bce6e\" kind=\"function\">\n-      <name>gmx_fft_init_many_1d_real</name>\n-    </member>\n-    <member refid=\"fft_8cpp_1af722773aa9ec88a4984aed9d4c1820f5\" kind=\"function\">\n-      <name>gmx_fft_many_1d</name>\n-    </member>\n-    <member refid=\"fft_8cpp_1ae96f00b2f99bc877a359185332216d8c\" kind=\"function\">\n-      <name>gmx_fft_many_1d_real</name>\n-    </member>\n-    <member refid=\"fft_8cpp_1ade0d0b112bcb9ba359e5fc35944b5693\" kind=\"function\">\n-      <name>gmx_many_fft_destroy</name>\n-    </member>\n-    <member refid=\"fft_8cpp_1a05cf1a5a8427f30bbbc35ccbf89128d7\" kind=\"function\">\n-      <name>gmx_fft_transpose_2d</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2fft_8cpp\" kind=\"file\">\n-    <name>fft.cpp</name>\n-  </compound>\n   <compound refid=\"fft__mpi_8cpp\" kind=\"file\">\n     <name>fft_mpi.cpp</name>\n   </compound>\n   <compound refid=\"checkpoint_8h\" kind=\"file\">\n     <name>checkpoint.h</name>\n     <member refid=\"checkpoint_8h_1a825dd15142a6e46b9dec5e2710bf3572\" kind=\"define\">\n       <name>GMX_IGNORE_FSYNC_FAILURE_ENV</name>\n@@ -81683,14 +81620,53 @@\n     <member refid=\"checkpoint_8h_1aab48cf6bc13c7b1b57c5792d39ce78d2\" kind=\"function\">\n       <name>read_checkpoint_part_and_step</name>\n     </member>\n     <member refid=\"checkpoint_8h_1a06c41f89c137b533bf730a92a01ed125\" kind=\"function\">\n       <name>read_checkpoint_simulation_part_and_filenames</name>\n     </member>\n   </compound>\n+  <compound refid=\"confio_8cpp\" kind=\"file\">\n+    <name>confio.cpp</name>\n+    <member refid=\"confio_8cpp_1aac476a3de50b9646f7fe62c6cf7ed96d\" kind=\"function\">\n+      <name>write_sto_conf_indexed</name>\n+    </member>\n+    <member refid=\"confio_8cpp_1a7af5536c7d5fc8a831b919afc2d064e7\" kind=\"function\">\n+      <name>write_sto_conf</name>\n+    </member>\n+    <member refid=\"confio_8cpp_1a920a16d74835775b1800e2c2a9458b57\" kind=\"function\">\n+      <name>write_sto_conf_mtop</name>\n+    </member>\n+    <member refid=\"confio_8cpp_1a062e8b9f2f49593f9a84547636b473ce\" kind=\"function\">\n+      <name>get_stx_coordnum</name>\n+    </member>\n+    <member refid=\"confio_8cpp_1ac3885c367eaa210c468927343b83a659\" kind=\"function\">\n+      <name>makeChainIdentifiersAfterTprReading</name>\n+    </member>\n+    <member refid=\"confio_8cpp_1a522d75de1dd7057b02cdaf9f32901d8e\" kind=\"function\">\n+      <name>tpx_make_chain_identifiers</name>\n+    </member>\n+    <member refid=\"confio_8cpp_1a19c9a7ae4915e93fc391349ba718ac8d\" kind=\"function\">\n+      <name>read_stx_conf</name>\n+    </member>\n+    <member refid=\"confio_8cpp_1aa2155fe95dbdab17fa12fbcb3c89112b\" kind=\"function\">\n+      <name>readConfAndAtoms</name>\n+    </member>\n+    <member refid=\"confio_8cpp_1a12484b0af15d7473585bd8da8bb0ebe6\" kind=\"function\">\n+      <name>readConfAndTopology</name>\n+    </member>\n+    <member refid=\"confio_8cpp_1a2d41e7216b997216fd5f763e6a340f53\" kind=\"function\">\n+      <name>read_tps_conf</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2confio_8cpp\" kind=\"file\">\n+    <name>confio.cpp</name>\n+    <member refid=\"tests_2confio_8cpp_1ae9ec9498ed69d6298c4cec343dbf6eea\" kind=\"function\">\n+      <name>PrintTo</name>\n+    </member>\n+  </compound>\n   <compound refid=\"enxio_8cpp\" kind=\"file\">\n     <name>enxio.cpp</name>\n     <member refid=\"enxio_8cpp_1a953aab07c9b7099add0ae48e9dfbd146\" kind=\"variable\">\n       <name>enx_version</name>\n     </member>\n     <member refid=\"enxio_8cpp_1ae1b62d388e3fae49802ef738c38ddfb8\" kind=\"variable\">\n       <name>enx_block_id_name</name>\n@@ -81923,14 +81899,119 @@\n     <member refid=\"espio_8h_1aabc6904f46d247fb258a1f3d4c83ed99\" kind=\"function\">\n       <name>get_espresso_coordnum</name>\n     </member>\n     <member refid=\"espio_8h_1a2fc75f4a89a934233547bff8ca61e8f6\" kind=\"function\">\n       <name>write_espresso_conf_indexed</name>\n     </member>\n   </compound>\n+  <compound refid=\"filetypes_8cpp\" kind=\"file\">\n+    <name>filetypes.cpp</name>\n+    <member refid=\"filetypes_8cpp_1afbb414d166f3653d7620ec910d2958f7\" kind=\"define\">\n+      <name>NTRXS</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1a6c57542a0625815800bd3dec773feb02\" kind=\"define\">\n+      <name>NTRCOMPRESSED</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1aba629da339c3d249bddada196008b7c2\" kind=\"define\">\n+      <name>NTROS</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1ad32c39affa8874eeee37354ac661db24\" kind=\"define\">\n+      <name>NTRNS</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1a2ff1fb016472ba4e4b6aa039f2c36ef4\" kind=\"define\">\n+      <name>NSTOS</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1ab4638e49e7e4beeda34180aa97cf6548\" kind=\"define\">\n+      <name>NSTXS</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1a9508c95605e576555eb565a42e52a3e8\" kind=\"define\">\n+      <name>NTPSS</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1ac36f475ca5b446f4fde4c9b90bec77c8\" kind=\"enum\">\n+      <name/>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1ac36f475ca5b446f4fde4c9b90bec77c8ab63c68b05dae41e3c49ce12334b65066\" kind=\"enumvalue\">\n+      <name>eftASC</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1ac36f475ca5b446f4fde4c9b90bec77c8af20355c6709bbaea25b7b37d2c2b8ca5\" kind=\"enumvalue\">\n+      <name>eftXDR</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1ac36f475ca5b446f4fde4c9b90bec77c8ab5d3472c748f6320e48e549ed589b571\" kind=\"enumvalue\">\n+      <name>eftTNG</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1ac36f475ca5b446f4fde4c9b90bec77c8a2550d4448e922db35680cd1f476874ae\" kind=\"enumvalue\">\n+      <name>eftGEN</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1ac36f475ca5b446f4fde4c9b90bec77c8ab97957f0462d3a5fe856439f57f2c571\" kind=\"enumvalue\">\n+      <name>eftNR</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1a2a52f2af40ecdf7b8648de6c4740f04f\" kind=\"variable\">\n+      <name>trxs</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1a7b382e57fe6b359fe45cb2d5b7761250\" kind=\"variable\">\n+      <name>trcompressed</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1a791531454b36a7f3efe6abc99b715011\" kind=\"variable\">\n+      <name>tros</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1a564fe263c23d7680cfee6c3f8e9e74ca\" kind=\"variable\">\n+      <name>trns</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1aca647e15b93af2746160bd77bb079596\" kind=\"variable\">\n+      <name>stos</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1a364c96e941eaddcffd2308599dd37b97\" kind=\"variable\">\n+      <name>stxs</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1a2b0b5db20dba96210c91881378d3c194\" kind=\"variable\">\n+      <name>tpss</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1ac0d0bba808fe0b773bad5fa2bdb8b9b9\" kind=\"variable\">\n+      <name>deffile</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1a7c65ef70aea2a8ea3b16ee7ab2ffaadf\" kind=\"function\">\n+      <name>ftp2ext</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1aa76abe17454b3dc3cf405d97c62842a1\" kind=\"function\">\n+      <name>ftp2ext_generic</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1ae280866a8aaa7877e259d28b9ab65a62\" kind=\"function\">\n+      <name>ftp2ext_with_dot</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1a51e04671b2683666a2cde7cab96ecb98\" kind=\"function\">\n+      <name>ftp2generic_count</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1a7de4c622c7b653b2cb36ef695fb8596d\" kind=\"function\">\n+      <name>ftp2generic_list</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1afc1df62e08bb441b41d75666862237d5\" kind=\"function\">\n+      <name>ftp2desc</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1ab0c2fd894a2c121fe5e811d570a6cdb6\" kind=\"function\">\n+      <name>ftp_is_text</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1ae2c7dfd387ec8ce92ef847b38d7ca68b\" kind=\"function\">\n+      <name>ftp_is_xdr</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1a262f28a4ea343467e42aef7d0d0d7614\" kind=\"function\">\n+      <name>ftp2defnm</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1ae166c5c5872853b726ee1eb8e1f7511d\" kind=\"function\">\n+      <name>ftp2defopt</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1ac102b21b9606aa82b2a0fd78f6a79aa4\" kind=\"function\">\n+      <name>fn2ftp</name>\n+    </member>\n+    <member refid=\"filetypes_8cpp_1adb20ab3cec07ad77d55f036eb451af0c\" kind=\"function\">\n+      <name>fn2ftp</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2filetypes_8cpp\" kind=\"file\">\n+    <name>filetypes.cpp</name>\n+  </compound>\n   <compound refid=\"g96io_8cpp\" kind=\"file\">\n     <name>g96io.cpp</name>\n     <member refid=\"g96io_8cpp_1a46b0c9f79d0d7e018c29f0efa7b51f03\" kind=\"define\">\n       <name>CHAR_SHIFT</name>\n     </member>\n     <member refid=\"g96io_8cpp_1a2b2a00fbb66a4156d51e53f97bb0155e\" kind=\"function\">\n       <name>read_g96_pos</name>\n@@ -82634,14 +82715,122 @@\n     <member refid=\"libxdrf_8cpp_1a03f66c42bf5da5b05abf6c042f9296cf\" kind=\"function\">\n       <name>xdr_xtc_get_last_frame_time</name>\n     </member>\n     <member refid=\"libxdrf_8cpp_1af7efed4286f1cafc2b34f24368072dc5\" kind=\"function\">\n       <name>xdr_xtc_get_last_frame_number</name>\n     </member>\n   </compound>\n+  <compound refid=\"matio_8cpp\" kind=\"file\">\n+    <name>matio.cpp</name>\n+    <member refid=\"matio_8cpp_1a0308482d69a4ee8eb07c20880792a361\" kind=\"define\">\n+      <name>NMAP</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a1e605e8e63f4d3c63bca9dcced15e1d5\" kind=\"variable\">\n+      <name>mapper</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1af441287d67d39ef515faf2daa7642389\" kind=\"function\">\n+      <name>mk_matrix</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a2145005d94ed36098cdaa0beddd7766c\" kind=\"function\">\n+      <name>done_matrix</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a1e0dfea2f27cd79207235d925e82dfde\" kind=\"function\">\n+      <name>searchcmap</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1ad89ef9cb4e7dd0288bcb5b8e519e5fe2\" kind=\"function\">\n+      <name>getcmap</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a09ed82e441a57615c0c9cf0e0324d8f2\" kind=\"function\">\n+      <name>readcmap</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1aee438e4253adcb4cafa2be0237600195\" kind=\"function\">\n+      <name>printcmap</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a60cb07b2145a9c971a9cb9edd5672855\" kind=\"function\">\n+      <name>writecmap</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a3baadbb25ce7efbb67f7a536988ec7d2\" kind=\"function\">\n+      <name>fgetline</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a0a9db3e1ae390a48cc49217b8b568bfe\" kind=\"function\">\n+      <name>skipstr</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a1696c56e9e7057360f910fd323b44ab1\" kind=\"function\">\n+      <name>line2string</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a3037a3e65b2dc17af6da2cd9baf6a752\" kind=\"function\">\n+      <name>findLabelInLine</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a9cf586735fc75daa721339984464be2f\" kind=\"function\">\n+      <name>read_xpm_entry</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1aa63c9eb80a4ab9b8f3c48c0f36d68b51\" kind=\"function\">\n+      <name>read_xpm_matrix</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a163152bcdf98a1752b1da29ec7f7a683\" kind=\"function\">\n+      <name>matrix2real</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a065a451805be2b518575fef5a929ff04\" kind=\"function\">\n+      <name>write_xpm_header</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a2296e04cd6531c54330938f78d05a1aa\" kind=\"function\">\n+      <name>calc_nmid</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a4bac1db7dfe3631eb76e1923fe1b24f0\" kind=\"function\">\n+      <name>write_xpm_map3</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a64c6e1b8341da28e072463a2495b092d\" kind=\"function\">\n+      <name>pr_simple_cmap</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a712f2d2c6daac29180d7657a14d82233\" kind=\"function\">\n+      <name>pr_discrete_cmap</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a1504735a6f15365c5dc9357af9b05a90\" kind=\"function\">\n+      <name>write_xpm_map_split</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a5db5737111586ff5cd5511c1c92aecc5\" kind=\"function\">\n+      <name>write_xpm_map</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a09c335879e3ab4ffcc34d88f285748a9\" kind=\"function\">\n+      <name>writeXpmAxis</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a8ccf4c946436f39f3fab15766e681f42\" kind=\"function\">\n+      <name>write_xpm_data</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a44be6116e4b0b857fc433adbe8ebe03e\" kind=\"function\">\n+      <name>write_xpm_data3</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1ae23514a15ae0cffd9780b96541cb5b04\" kind=\"function\">\n+      <name>write_xpm_data_split</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a1091d9715c36182a853ca034eb34c801\" kind=\"function\">\n+      <name>write_xpm_m</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1ab1cc4b70bfef6bf4f38b24f9c20666a2\" kind=\"function\">\n+      <name>write_xpm3</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1ae5ce3e56169e8ee128e5cc11fe2d8a89\" kind=\"function\">\n+      <name>write_xpm3</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1ae5f41f49a9c105dfe0bc1967916f9691\" kind=\"function\">\n+      <name>write_xpm_split</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a17397278d7afc85fc875aeb6b45c285c\" kind=\"function\">\n+      <name>write_xpm_split</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a412b104ebc6167f489ce1939a7393934\" kind=\"function\">\n+      <name>write_xpm</name>\n+    </member>\n+    <member refid=\"matio_8cpp_1a05bdb8be8ed36d46f1cb82722490da71\" kind=\"function\">\n+      <name>write_xpm</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2matio_8cpp\" kind=\"file\">\n+    <name>matio.cpp</name>\n+  </compound>\n   <compound refid=\"matio_8h\" kind=\"file\">\n     <name>matio.h</name>\n     <member refid=\"matio_8h_1a24594a24b23a8ea2742ccb1e693dddf3\" kind=\"define\">\n       <name>MAT_SPATIAL_X</name>\n     </member>\n     <member refid=\"matio_8h_1af4c5cfad61fbd418d7d4516b032c9232\" kind=\"define\">\n       <name>MAT_SPATIAL_Y</name>\n@@ -82964,14 +83153,20 @@\n     <member refid=\"md5_8h_1a21c99362bb92e38fe3703724a1581ff3\" kind=\"function\">\n       <name>gmx_md5_finish</name>\n     </member>\n   </compound>\n   <compound refid=\"mrcdensitymap_8h\" kind=\"file\">\n     <name>mrcdensitymap.h</name>\n   </compound>\n+  <compound refid=\"mrcdensitymapheader_8cpp\" kind=\"file\">\n+    <name>mrcdensitymapheader.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2mrcdensitymapheader_8cpp\" kind=\"file\">\n+    <name>mrcdensitymapheader.cpp</name>\n+  </compound>\n   <compound refid=\"mrcdensitymapheader_8h\" kind=\"file\">\n     <name>mrcdensitymapheader.h</name>\n   </compound>\n   <compound refid=\"mrcserializer_8h\" kind=\"file\">\n     <name>mrcserializer.h</name>\n   </compound>\n   <compound refid=\"mtxio_8cpp\" kind=\"file\">\n@@ -83135,89 +83330,14 @@\n     <member refid=\"pdbio_8cpp_1a6eae00e2ee38e67cb17d79c0061f469a\" kind=\"function\">\n       <name>gmx_conect_generate</name>\n     </member>\n     <member refid=\"pdbio_8cpp_1a7b4ba791c03b62466c00ceb8fe54ad70\" kind=\"function\">\n       <name>gmx_fprintf_pdb_atomline</name>\n     </member>\n   </compound>\n-  <compound refid=\"readinp_8cpp\" kind=\"file\">\n-    <name>readinp.cpp</name>\n-    <member refid=\"readinp_8cpp_1a87daac16520373ab4a2d583440984c2f\" kind=\"function\">\n-      <name>read_inpfile</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1a425a46695c901ab09b09dd7edf7ae52d\" kind=\"function\">\n-      <name>flatKeyValueTreeFromInpFile</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1aabb4e9560d52b48e3439c85bc2934e11\" kind=\"function\">\n-      <name>sort_inp</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1a820e6f8be736e6bb68d95bdd3687fdbb\" kind=\"function\">\n-      <name>write_inpfile</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1a91c90e14b8d9c02cb963430a219f6a56\" kind=\"function\">\n-      <name>replace_inp_entry</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1a6a4fc57393078578b61e60db860178cb\" kind=\"function\">\n-      <name>search_einp</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1a2322ec683b7c65785e03b5fff28d612b\" kind=\"function\">\n-      <name>mark_einp_set</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1a42bd999a3df6de447379c0f0b3263169\" kind=\"function\">\n-      <name>get_einp</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1a1517ebbf40783e4deaeb8d1fd3993d4a\" kind=\"function\">\n-      <name>get_eint</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1a621538f6c647e25f900989ff6fd17c12\" kind=\"function\">\n-      <name>get_eint</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1a983d7df74b73b174ca070c0b08d7b370\" kind=\"function\">\n-      <name>get_eint64</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1a945a8d5f318b97d67e0e1454254d75fb\" kind=\"function\">\n-      <name>get_eint64</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1af52a5c04cdcfe61fa9a72d6d7f76b79d\" kind=\"function\">\n-      <name>get_ereal</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1a95bd15ab1ae174a9d215fe71a846b9b4\" kind=\"function\">\n-      <name>get_ereal</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1a1b8612843b5b77ad7f19f5372f8638c2\" kind=\"function\">\n-      <name>get_estr</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1afcea115e8e6614dec9160000cdccf140\" kind=\"function\">\n-      <name>get_estr</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1a16906bfa94a87f5922271f8dda42d544\" kind=\"function\">\n-      <name>get_eeenum</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1a9805ab7cd5f81a4d3c6eedb5169f375e\" kind=\"function\">\n-      <name>get_eeenum</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1a849412b723a5e5341c462774810d61ad\" kind=\"function\">\n-      <name>get_eenum</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1a445aba99aa2f60ac3cd27489443ca9a9\" kind=\"function\">\n-      <name>printStringNewline</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1a5490204db60f6c91e71b95a213d44b94\" kind=\"function\">\n-      <name>printStringNoNewline</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1ad043abbf6c79bbc0463baf8c5bc4ec40\" kind=\"function\">\n-      <name>setStringEntry</name>\n-    </member>\n-    <member refid=\"readinp_8cpp_1aed9ece80d08d03f7fc13af95482d4c9d\" kind=\"function\">\n-      <name>setStringEntry</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2readinp_8cpp\" kind=\"file\">\n-    <name>readinp.cpp</name>\n-  </compound>\n   <compound refid=\"readinp_8h\" kind=\"file\">\n     <name>readinp.h</name>\n     <member refid=\"readinp_8h_1a6df718fa5758327815b159b04355bd3d\" kind=\"enum\">\n       <name>WriteMdpHeader</name>\n     </member>\n     <member refid=\"readinp_8h_1a6df718fa5758327815b159b04355bd3da7fa3b767c460b54a2be4d49030b349c7\" kind=\"enumvalue\">\n       <name>no</name>\n@@ -83294,290 +83414,158 @@\n     <member refid=\"readinp_8h_1aed9ece80d08d03f7fc13af95482d4c9d\" kind=\"function\">\n       <name>setStringEntry</name>\n     </member>\n   </compound>\n   <compound refid=\"rgb_8h\" kind=\"file\">\n     <name>rgb.h</name>\n   </compound>\n-  <compound refid=\"confio_8cpp\" kind=\"file\">\n-    <name>confio.cpp</name>\n-    <member refid=\"confio_8cpp_1aac476a3de50b9646f7fe62c6cf7ed96d\" kind=\"function\">\n-      <name>write_sto_conf_indexed</name>\n-    </member>\n-    <member refid=\"confio_8cpp_1a7af5536c7d5fc8a831b919afc2d064e7\" kind=\"function\">\n-      <name>write_sto_conf</name>\n-    </member>\n-    <member refid=\"confio_8cpp_1a920a16d74835775b1800e2c2a9458b57\" kind=\"function\">\n-      <name>write_sto_conf_mtop</name>\n-    </member>\n-    <member refid=\"confio_8cpp_1a062e8b9f2f49593f9a84547636b473ce\" kind=\"function\">\n-      <name>get_stx_coordnum</name>\n-    </member>\n-    <member refid=\"confio_8cpp_1ac3885c367eaa210c468927343b83a659\" kind=\"function\">\n-      <name>makeChainIdentifiersAfterTprReading</name>\n-    </member>\n-    <member refid=\"confio_8cpp_1a522d75de1dd7057b02cdaf9f32901d8e\" kind=\"function\">\n-      <name>tpx_make_chain_identifiers</name>\n-    </member>\n-    <member refid=\"confio_8cpp_1a19c9a7ae4915e93fc391349ba718ac8d\" kind=\"function\">\n-      <name>read_stx_conf</name>\n-    </member>\n-    <member refid=\"confio_8cpp_1aa2155fe95dbdab17fa12fbcb3c89112b\" kind=\"function\">\n-      <name>readConfAndAtoms</name>\n-    </member>\n-    <member refid=\"confio_8cpp_1a12484b0af15d7473585bd8da8bb0ebe6\" kind=\"function\">\n-      <name>readConfAndTopology</name>\n-    </member>\n-    <member refid=\"confio_8cpp_1a2d41e7216b997216fd5f763e6a340f53\" kind=\"function\">\n-      <name>read_tps_conf</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2confio_8cpp\" kind=\"file\">\n-    <name>confio.cpp</name>\n-    <member refid=\"tests_2confio_8cpp_1ae9ec9498ed69d6298c4cec343dbf6eea\" kind=\"function\">\n-      <name>PrintTo</name>\n-    </member>\n-  </compound>\n   <compound refid=\"fileioxdrserializer_8cpp\" kind=\"file\">\n     <name>fileioxdrserializer.cpp</name>\n   </compound>\n   <compound refid=\"filemd5_8cpp\" kind=\"file\">\n     <name>filemd5.cpp</name>\n   </compound>\n-  <compound refid=\"filetypes_8cpp\" kind=\"file\">\n-    <name>filetypes.cpp</name>\n-    <member refid=\"filetypes_8cpp_1afbb414d166f3653d7620ec910d2958f7\" kind=\"define\">\n-      <name>NTRXS</name>\n-    </member>\n-    <member refid=\"filetypes_8cpp_1a6c57542a0625815800bd3dec773feb02\" kind=\"define\">\n-      <name>NTRCOMPRESSED</name>\n-    </member>\n-    <member refid=\"filetypes_8cpp_1aba629da339c3d249bddada196008b7c2\" kind=\"define\">\n-      <name>NTROS</name>\n-    </member>\n-    <member refid=\"filetypes_8cpp_1ad32c39affa8874eeee37354ac661db24\" kind=\"define\">\n-      <name>NTRNS</name>\n-    </member>\n-    <member refid=\"filetypes_8cpp_1a2ff1fb016472ba4e4b6aa039f2c36ef4\" kind=\"define\">\n-      <name>NSTOS</name>\n-    </member>\n-    <member refid=\"filetypes_8cpp_1ab4638e49e7e4beeda34180aa97cf6548\" kind=\"define\">\n-      <name>NSTXS</name>\n-    </member>\n-    <member refid=\"filetypes_8cpp_1a9508c95605e576555eb565a42e52a3e8\" kind=\"define\">\n-      <name>NTPSS</name>\n-    </member>\n-    <member refid=\"filetypes_8cpp_1ac36f475ca5b446f4fde4c9b90bec77c8\" kind=\"enum\">\n-      <name/>\n-    </member>\n-    <member refid=\"filetypes_8cpp_1ac36f475ca5b446f4fde4c9b90bec77c8ab63c68b05dae41e3c49ce12334b65066\" kind=\"enumvalue\">\n-      <name>eftASC</name>\n-    </member>\n-    <member refid=\"filetypes_8cpp_1ac36f475ca5b446f4fde4c9b90bec77c8af20355c6709bbaea25b7b37d2c2b8ca5\" kind=\"enumvalue\">\n-      <name>eftXDR</name>\n-    </member>\n-    <member refid=\"filetypes_8cpp_1ac36f475ca5b446f4fde4c9b90bec77c8ab5d3472c748f6320e48e549ed589b571\" kind=\"enumvalue\">\n-      <name>eftTNG</name>\n+  <compound refid=\"mrcdensitymap_8cpp\" kind=\"file\">\n+    <name>mrcdensitymap.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2mrcdensitymap_8cpp\" kind=\"file\">\n+    <name>mrcdensitymap.cpp</name>\n+  </compound>\n+  <compound refid=\"mrcserializer_8cpp\" kind=\"file\">\n+    <name>mrcserializer.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2mrcserializer_8cpp\" kind=\"file\">\n+    <name>mrcserializer.cpp</name>\n+  </compound>\n+  <compound refid=\"readinp_8cpp\" kind=\"file\">\n+    <name>readinp.cpp</name>\n+    <member refid=\"readinp_8cpp_1a87daac16520373ab4a2d583440984c2f\" kind=\"function\">\n+      <name>read_inpfile</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1ac36f475ca5b446f4fde4c9b90bec77c8a2550d4448e922db35680cd1f476874ae\" kind=\"enumvalue\">\n-      <name>eftGEN</name>\n+    <member refid=\"readinp_8cpp_1a425a46695c901ab09b09dd7edf7ae52d\" kind=\"function\">\n+      <name>flatKeyValueTreeFromInpFile</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1ac36f475ca5b446f4fde4c9b90bec77c8ab97957f0462d3a5fe856439f57f2c571\" kind=\"enumvalue\">\n-      <name>eftNR</name>\n+    <member refid=\"readinp_8cpp_1aabb4e9560d52b48e3439c85bc2934e11\" kind=\"function\">\n+      <name>sort_inp</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1a2a52f2af40ecdf7b8648de6c4740f04f\" kind=\"variable\">\n-      <name>trxs</name>\n+    <member refid=\"readinp_8cpp_1a820e6f8be736e6bb68d95bdd3687fdbb\" kind=\"function\">\n+      <name>write_inpfile</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1a7b382e57fe6b359fe45cb2d5b7761250\" kind=\"variable\">\n-      <name>trcompressed</name>\n+    <member refid=\"readinp_8cpp_1a91c90e14b8d9c02cb963430a219f6a56\" kind=\"function\">\n+      <name>replace_inp_entry</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1a791531454b36a7f3efe6abc99b715011\" kind=\"variable\">\n-      <name>tros</name>\n+    <member refid=\"readinp_8cpp_1a6a4fc57393078578b61e60db860178cb\" kind=\"function\">\n+      <name>search_einp</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1a564fe263c23d7680cfee6c3f8e9e74ca\" kind=\"variable\">\n-      <name>trns</name>\n+    <member refid=\"readinp_8cpp_1a2322ec683b7c65785e03b5fff28d612b\" kind=\"function\">\n+      <name>mark_einp_set</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1aca647e15b93af2746160bd77bb079596\" kind=\"variable\">\n-      <name>stos</name>\n+    <member refid=\"readinp_8cpp_1a42bd999a3df6de447379c0f0b3263169\" kind=\"function\">\n+      <name>get_einp</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1a364c96e941eaddcffd2308599dd37b97\" kind=\"variable\">\n-      <name>stxs</name>\n+    <member refid=\"readinp_8cpp_1a1517ebbf40783e4deaeb8d1fd3993d4a\" kind=\"function\">\n+      <name>get_eint</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1a2b0b5db20dba96210c91881378d3c194\" kind=\"variable\">\n-      <name>tpss</name>\n+    <member refid=\"readinp_8cpp_1a621538f6c647e25f900989ff6fd17c12\" kind=\"function\">\n+      <name>get_eint</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1ac0d0bba808fe0b773bad5fa2bdb8b9b9\" kind=\"variable\">\n-      <name>deffile</name>\n+    <member refid=\"readinp_8cpp_1a983d7df74b73b174ca070c0b08d7b370\" kind=\"function\">\n+      <name>get_eint64</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1a7c65ef70aea2a8ea3b16ee7ab2ffaadf\" kind=\"function\">\n-      <name>ftp2ext</name>\n+    <member refid=\"readinp_8cpp_1a945a8d5f318b97d67e0e1454254d75fb\" kind=\"function\">\n+      <name>get_eint64</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1aa76abe17454b3dc3cf405d97c62842a1\" kind=\"function\">\n-      <name>ftp2ext_generic</name>\n+    <member refid=\"readinp_8cpp_1af52a5c04cdcfe61fa9a72d6d7f76b79d\" kind=\"function\">\n+      <name>get_ereal</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1ae280866a8aaa7877e259d28b9ab65a62\" kind=\"function\">\n-      <name>ftp2ext_with_dot</name>\n+    <member refid=\"readinp_8cpp_1a95bd15ab1ae174a9d215fe71a846b9b4\" kind=\"function\">\n+      <name>get_ereal</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1a51e04671b2683666a2cde7cab96ecb98\" kind=\"function\">\n-      <name>ftp2generic_count</name>\n+    <member refid=\"readinp_8cpp_1a1b8612843b5b77ad7f19f5372f8638c2\" kind=\"function\">\n+      <name>get_estr</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1a7de4c622c7b653b2cb36ef695fb8596d\" kind=\"function\">\n-      <name>ftp2generic_list</name>\n+    <member refid=\"readinp_8cpp_1afcea115e8e6614dec9160000cdccf140\" kind=\"function\">\n+      <name>get_estr</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1afc1df62e08bb441b41d75666862237d5\" kind=\"function\">\n-      <name>ftp2desc</name>\n+    <member refid=\"readinp_8cpp_1a16906bfa94a87f5922271f8dda42d544\" kind=\"function\">\n+      <name>get_eeenum</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1ab0c2fd894a2c121fe5e811d570a6cdb6\" kind=\"function\">\n-      <name>ftp_is_text</name>\n+    <member refid=\"readinp_8cpp_1a9805ab7cd5f81a4d3c6eedb5169f375e\" kind=\"function\">\n+      <name>get_eeenum</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1ae2c7dfd387ec8ce92ef847b38d7ca68b\" kind=\"function\">\n-      <name>ftp_is_xdr</name>\n+    <member refid=\"readinp_8cpp_1a849412b723a5e5341c462774810d61ad\" kind=\"function\">\n+      <name>get_eenum</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1a262f28a4ea343467e42aef7d0d0d7614\" kind=\"function\">\n-      <name>ftp2defnm</name>\n+    <member refid=\"readinp_8cpp_1a445aba99aa2f60ac3cd27489443ca9a9\" kind=\"function\">\n+      <name>printStringNewline</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1ae166c5c5872853b726ee1eb8e1f7511d\" kind=\"function\">\n-      <name>ftp2defopt</name>\n+    <member refid=\"readinp_8cpp_1a5490204db60f6c91e71b95a213d44b94\" kind=\"function\">\n+      <name>printStringNoNewline</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1ac102b21b9606aa82b2a0fd78f6a79aa4\" kind=\"function\">\n-      <name>fn2ftp</name>\n+    <member refid=\"readinp_8cpp_1ad043abbf6c79bbc0463baf8c5bc4ec40\" kind=\"function\">\n+      <name>setStringEntry</name>\n     </member>\n-    <member refid=\"filetypes_8cpp_1adb20ab3cec07ad77d55f036eb451af0c\" kind=\"function\">\n-      <name>fn2ftp</name>\n+    <member refid=\"readinp_8cpp_1aed9ece80d08d03f7fc13af95482d4c9d\" kind=\"function\">\n+      <name>setStringEntry</name>\n     </member>\n   </compound>\n-  <compound refid=\"tests_2filetypes_8cpp\" kind=\"file\">\n-    <name>filetypes.cpp</name>\n+  <compound refid=\"tests_2readinp_8cpp\" kind=\"file\">\n+    <name>readinp.cpp</name>\n   </compound>\n-  <compound refid=\"matio_8cpp\" kind=\"file\">\n-    <name>matio.cpp</name>\n-    <member refid=\"matio_8cpp_1a0308482d69a4ee8eb07c20880792a361\" kind=\"define\">\n-      <name>NMAP</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a1e605e8e63f4d3c63bca9dcced15e1d5\" kind=\"variable\">\n-      <name>mapper</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1af441287d67d39ef515faf2daa7642389\" kind=\"function\">\n-      <name>mk_matrix</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a2145005d94ed36098cdaa0beddd7766c\" kind=\"function\">\n-      <name>done_matrix</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a1e0dfea2f27cd79207235d925e82dfde\" kind=\"function\">\n-      <name>searchcmap</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1ad89ef9cb4e7dd0288bcb5b8e519e5fe2\" kind=\"function\">\n-      <name>getcmap</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a09ed82e441a57615c0c9cf0e0324d8f2\" kind=\"function\">\n-      <name>readcmap</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1aee438e4253adcb4cafa2be0237600195\" kind=\"function\">\n-      <name>printcmap</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a60cb07b2145a9c971a9cb9edd5672855\" kind=\"function\">\n-      <name>writecmap</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a3baadbb25ce7efbb67f7a536988ec7d2\" kind=\"function\">\n-      <name>fgetline</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a0a9db3e1ae390a48cc49217b8b568bfe\" kind=\"function\">\n-      <name>skipstr</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a1696c56e9e7057360f910fd323b44ab1\" kind=\"function\">\n-      <name>line2string</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a3037a3e65b2dc17af6da2cd9baf6a752\" kind=\"function\">\n-      <name>findLabelInLine</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a9cf586735fc75daa721339984464be2f\" kind=\"function\">\n-      <name>read_xpm_entry</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1aa63c9eb80a4ab9b8f3c48c0f36d68b51\" kind=\"function\">\n-      <name>read_xpm_matrix</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a163152bcdf98a1752b1da29ec7f7a683\" kind=\"function\">\n-      <name>matrix2real</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a065a451805be2b518575fef5a929ff04\" kind=\"function\">\n-      <name>write_xpm_header</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a2296e04cd6531c54330938f78d05a1aa\" kind=\"function\">\n-      <name>calc_nmid</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a4bac1db7dfe3631eb76e1923fe1b24f0\" kind=\"function\">\n-      <name>write_xpm_map3</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a64c6e1b8341da28e072463a2495b092d\" kind=\"function\">\n-      <name>pr_simple_cmap</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a712f2d2c6daac29180d7657a14d82233\" kind=\"function\">\n-      <name>pr_discrete_cmap</name>\n-    </member>\n-    <member refid=\"matio_8cpp_1a1504735a6f15365c5dc9357af9b05a90\" kind=\"function\">\n-      <name>write_xpm_map_split</name>\n+  <compound refid=\"xvgio_8cpp\" kind=\"file\">\n+    <name>xvgio.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2timecontrol_8cpp\" kind=\"file\">\n+    <name>timecontrol.cpp</name>\n+  </compound>\n+  <compound refid=\"timecontrol_8cpp\" kind=\"file\">\n+    <name>timecontrol.cpp</name>\n+    <member refid=\"timecontrol_8cpp_1a111e68d9dbee5453934ba1aed850f432\" kind=\"variable\">\n+      <name>timecontrol</name>\n     </member>\n-    <member refid=\"matio_8cpp_1a5db5737111586ff5cd5511c1c92aecc5\" kind=\"function\">\n-      <name>write_xpm_map</name>\n+    <member refid=\"timecontrol_8cpp_1a0cd4719a366390c4175b9d8ff71a859e\" kind=\"variable\">\n+      <name>g_timeControlMutex</name>\n     </member>\n-    <member refid=\"matio_8cpp_1a09c335879e3ab4ffcc34d88f285748a9\" kind=\"function\">\n-      <name>writeXpmAxis</name>\n+    <member refid=\"timecontrol_8cpp_1a367f6ebee9e057f5f1ed5c5a14597b3a\" kind=\"function\">\n+      <name>timeValue</name>\n     </member>\n-    <member refid=\"matio_8cpp_1a8ccf4c946436f39f3fab15766e681f42\" kind=\"function\">\n-      <name>write_xpm_data</name>\n+    <member refid=\"timecontrol_8cpp_1a0cb8ede6b554538731124f8a1113b6b0\" kind=\"function\">\n+      <name>setTimeValue</name>\n     </member>\n-    <member refid=\"matio_8cpp_1a44be6116e4b0b857fc433adbe8ebe03e\" kind=\"function\">\n-      <name>write_xpm_data3</name>\n+    <member refid=\"timecontrol_8cpp_1a568ef2f06c5d9a73cbcc965c29cb32ab\" kind=\"function\">\n+      <name>unsetTimeValue</name>\n     </member>\n-    <member refid=\"matio_8cpp_1ae23514a15ae0cffd9780b96541cb5b04\" kind=\"function\">\n-      <name>write_xpm_data_split</name>\n+  </compound>\n+  <compound refid=\"timecontrol_8h\" kind=\"file\">\n+    <name>timecontrol.h</name>\n+    <member refid=\"timecontrol_8h_1ace22dca5f1716b5f2ff36e64ed58c2b2\" kind=\"enum\">\n+      <name>TimeControl</name>\n     </member>\n-    <member refid=\"matio_8cpp_1a1091d9715c36182a853ca034eb34c801\" kind=\"function\">\n-      <name>write_xpm_m</name>\n+    <member refid=\"timecontrol_8h_1ace22dca5f1716b5f2ff36e64ed58c2b2a1a06729125544cab7cee73195fc044f0\" kind=\"enumvalue\">\n+      <name>Begin</name>\n     </member>\n-    <member refid=\"matio_8cpp_1ab1cc4b70bfef6bf4f38b24f9c20666a2\" kind=\"function\">\n-      <name>write_xpm3</name>\n+    <member refid=\"timecontrol_8h_1ace22dca5f1716b5f2ff36e64ed58c2b2a87557f11575c0ad78e4e28abedc13b6e\" kind=\"enumvalue\">\n+      <name>End</name>\n     </member>\n-    <member refid=\"matio_8cpp_1ae5ce3e56169e8ee128e5cc11fe2d8a89\" kind=\"function\">\n-      <name>write_xpm3</name>\n+    <member refid=\"timecontrol_8h_1ace22dca5f1716b5f2ff36e64ed58c2b2adb1f4ab5845def61a83d5df13e0c2397\" kind=\"enumvalue\">\n+      <name>Delta</name>\n     </member>\n-    <member refid=\"matio_8cpp_1ae5f41f49a9c105dfe0bc1967916f9691\" kind=\"function\">\n-      <name>write_xpm_split</name>\n+    <member refid=\"timecontrol_8h_1ace22dca5f1716b5f2ff36e64ed58c2b2ae93f994f01c537c4e2f7d8528c3eb5e9\" kind=\"enumvalue\">\n+      <name>Count</name>\n     </member>\n-    <member refid=\"matio_8cpp_1a17397278d7afc85fc875aeb6b45c285c\" kind=\"function\">\n-      <name>write_xpm_split</name>\n+    <member refid=\"timecontrol_8h_1a367f6ebee9e057f5f1ed5c5a14597b3a\" kind=\"function\">\n+      <name>timeValue</name>\n     </member>\n-    <member refid=\"matio_8cpp_1a412b104ebc6167f489ce1939a7393934\" kind=\"function\">\n-      <name>write_xpm</name>\n+    <member refid=\"timecontrol_8h_1a0cb8ede6b554538731124f8a1113b6b0\" kind=\"function\">\n+      <name>setTimeValue</name>\n     </member>\n-    <member refid=\"matio_8cpp_1a05bdb8be8ed36d46f1cb82722490da71\" kind=\"function\">\n-      <name>write_xpm</name>\n+    <member refid=\"timecontrol_8h_1a568ef2f06c5d9a73cbcc965c29cb32ab\" kind=\"function\">\n+      <name>unsetTimeValue</name>\n     </member>\n   </compound>\n-  <compound refid=\"tests_2matio_8cpp\" kind=\"file\">\n-    <name>matio.cpp</name>\n-  </compound>\n-  <compound refid=\"mrcdensitymap_8cpp\" kind=\"file\">\n-    <name>mrcdensitymap.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2mrcdensitymap_8cpp\" kind=\"file\">\n-    <name>mrcdensitymap.cpp</name>\n-  </compound>\n-  <compound refid=\"mrcdensitymapheader_8cpp\" kind=\"file\">\n-    <name>mrcdensitymapheader.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2mrcdensitymapheader_8cpp\" kind=\"file\">\n-    <name>mrcdensitymapheader.cpp</name>\n-  </compound>\n-  <compound refid=\"mrcserializer_8cpp\" kind=\"file\">\n-    <name>mrcserializer.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2mrcserializer_8cpp\" kind=\"file\">\n-    <name>mrcserializer.cpp</name>\n-  </compound>\n   <compound refid=\"tests_2tngio_8cpp\" kind=\"file\">\n     <name>tngio.cpp</name>\n   </compound>\n   <compound refid=\"tngio_8cpp\" kind=\"file\">\n     <name>tngio.cpp</name>\n     <member refid=\"tngio_8cpp_1aba3926080c8280b7e65a0de5f55577c6\" kind=\"typedef\">\n       <name>tng_trajectory_t</name>\n@@ -83630,65 +83618,14 @@\n     <member refid=\"tngio_8cpp_1ae0c553af8b51563895d31e96fcba20ae\" kind=\"function\">\n       <name>gmx_tng_get_box_output_interval</name>\n     </member>\n     <member refid=\"tngio_8cpp_1a17b4e68ebc8aef0d0a773ba09f3cc433\" kind=\"function\">\n       <name>gmx_tng_get_lambda_output_interval</name>\n     </member>\n   </compound>\n-  <compound refid=\"xvgio_8cpp\" kind=\"file\">\n-    <name>xvgio.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2timecontrol_8cpp\" kind=\"file\">\n-    <name>timecontrol.cpp</name>\n-  </compound>\n-  <compound refid=\"timecontrol_8cpp\" kind=\"file\">\n-    <name>timecontrol.cpp</name>\n-    <member refid=\"timecontrol_8cpp_1a111e68d9dbee5453934ba1aed850f432\" kind=\"variable\">\n-      <name>timecontrol</name>\n-    </member>\n-    <member refid=\"timecontrol_8cpp_1a0cd4719a366390c4175b9d8ff71a859e\" kind=\"variable\">\n-      <name>g_timeControlMutex</name>\n-    </member>\n-    <member refid=\"timecontrol_8cpp_1a367f6ebee9e057f5f1ed5c5a14597b3a\" kind=\"function\">\n-      <name>timeValue</name>\n-    </member>\n-    <member refid=\"timecontrol_8cpp_1a0cb8ede6b554538731124f8a1113b6b0\" kind=\"function\">\n-      <name>setTimeValue</name>\n-    </member>\n-    <member refid=\"timecontrol_8cpp_1a568ef2f06c5d9a73cbcc965c29cb32ab\" kind=\"function\">\n-      <name>unsetTimeValue</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"timecontrol_8h\" kind=\"file\">\n-    <name>timecontrol.h</name>\n-    <member refid=\"timecontrol_8h_1ace22dca5f1716b5f2ff36e64ed58c2b2\" kind=\"enum\">\n-      <name>TimeControl</name>\n-    </member>\n-    <member refid=\"timecontrol_8h_1ace22dca5f1716b5f2ff36e64ed58c2b2a1a06729125544cab7cee73195fc044f0\" kind=\"enumvalue\">\n-      <name>Begin</name>\n-    </member>\n-    <member refid=\"timecontrol_8h_1ace22dca5f1716b5f2ff36e64ed58c2b2a87557f11575c0ad78e4e28abedc13b6e\" kind=\"enumvalue\">\n-      <name>End</name>\n-    </member>\n-    <member refid=\"timecontrol_8h_1ace22dca5f1716b5f2ff36e64ed58c2b2adb1f4ab5845def61a83d5df13e0c2397\" kind=\"enumvalue\">\n-      <name>Delta</name>\n-    </member>\n-    <member refid=\"timecontrol_8h_1ace22dca5f1716b5f2ff36e64ed58c2b2ae93f994f01c537c4e2f7d8528c3eb5e9\" kind=\"enumvalue\">\n-      <name>Count</name>\n-    </member>\n-    <member refid=\"timecontrol_8h_1a367f6ebee9e057f5f1ed5c5a14597b3a\" kind=\"function\">\n-      <name>timeValue</name>\n-    </member>\n-    <member refid=\"timecontrol_8h_1a0cb8ede6b554538731124f8a1113b6b0\" kind=\"function\">\n-      <name>setTimeValue</name>\n-    </member>\n-    <member refid=\"timecontrol_8h_1a568ef2f06c5d9a73cbcc965c29cb32ab\" kind=\"function\">\n-      <name>unsetTimeValue</name>\n-    </member>\n-  </compound>\n   <compound refid=\"tngio_8h\" kind=\"file\">\n     <name>tngio.h</name>\n     <member refid=\"tngio_8h_1aa8040284047b241227c9b700618bd9a7\" kind=\"typedef\">\n       <name>gmx_tng_trajectory_t</name>\n     </member>\n     <member refid=\"tngio_8h_1ac77421ecbf005561a688b3a693dc26cc\" kind=\"function\">\n       <name>gmx_tng_open</name>\n@@ -87563,14 +87500,62 @@\n     <member refid=\"gmx__tcaf_8cpp_1af0504bd3be28275d1045df5adf3cc9cb\" kind=\"function\">\n       <name>process_tcaf</name>\n     </member>\n     <member refid=\"gmx__tcaf_8cpp_1a94b7910fe112e544cd4cc7bea9e77716\" kind=\"function\">\n       <name>gmx_tcaf</name>\n     </member>\n   </compound>\n+  <compound refid=\"gmx__traj_8cpp\" kind=\"file\">\n+    <name>gmx_traj.cpp</name>\n+    <member refid=\"gmx__traj_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n+      <name>NFILE</name>\n+    </member>\n+    <member refid=\"gmx__traj_8cpp_1ae8e838c53009b0854bf4f37f2abc57c7\" kind=\"function\">\n+      <name>low_print_data</name>\n+    </member>\n+    <member refid=\"gmx__traj_8cpp_1ac861f5a221b63b83dc47166b2da84c73\" kind=\"function\">\n+      <name>average_data</name>\n+    </member>\n+    <member refid=\"gmx__traj_8cpp_1a32b5ca099d51edc019546440cd06aa76\" kind=\"function\">\n+      <name>print_data</name>\n+    </member>\n+    <member refid=\"gmx__traj_8cpp_1a9999daa9afb3d451f89444c34867c216\" kind=\"function\">\n+      <name>write_trx_x</name>\n+    </member>\n+    <member refid=\"gmx__traj_8cpp_1aef86e047c8c2036598a7f0317f7e9a37\" kind=\"function\">\n+      <name>make_legend</name>\n+    </member>\n+    <member refid=\"gmx__traj_8cpp_1a2cb475eba4645c7d933055c5bcf134be\" kind=\"function\">\n+      <name>ekrot</name>\n+    </member>\n+    <member refid=\"gmx__traj_8cpp_1a8154fc26003a9194b37b338c3f860637\" kind=\"function\">\n+      <name>ektrans</name>\n+    </member>\n+    <member refid=\"gmx__traj_8cpp_1a9da9b3daff29b8d892dfc5b9ee1b92ad\" kind=\"function\">\n+      <name>temp</name>\n+    </member>\n+    <member refid=\"gmx__traj_8cpp_1a6c5e0eedcff9708c15dc4dd41b55ec1b\" kind=\"function\">\n+      <name>remove_jump</name>\n+    </member>\n+    <member refid=\"gmx__traj_8cpp_1a0c17dde5f71ffa0ecac72dd9c6c5a0f7\" kind=\"function\">\n+      <name>write_pdb_bfac</name>\n+    </member>\n+    <member refid=\"gmx__traj_8cpp_1ad581023f2f40059eb9370ddd903636dd\" kind=\"function\">\n+      <name>update_histo</name>\n+    </member>\n+    <member refid=\"gmx__traj_8cpp_1a9ac1bfd2958d0100a3f23e07962565fc\" kind=\"function\">\n+      <name>print_histo</name>\n+    </member>\n+    <member refid=\"gmx__traj_8cpp_1adf81d84fbc02230037a2cd374fe1cef0\" kind=\"function\">\n+      <name>gmx_traj</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2gmx__traj_8cpp\" kind=\"file\">\n+    <name>gmx_traj.cpp</name>\n+  </compound>\n   <compound refid=\"gmx__trjorder_8cpp\" kind=\"file\">\n     <name>gmx_trjorder.cpp</name>\n     <member refid=\"gmx__trjorder_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n       <name>NFILE</name>\n     </member>\n     <member refid=\"gmx__trjorder_8cpp_1a1e1d8f7bb3007d1e6e33d2cf2941f42d\" kind=\"variable\">\n       <name>order</name>\n@@ -88619,62 +88604,14 @@\n     <member refid=\"gmx__mindist_8cpp_1a4ad38f7ef71d141f6e8387bd92c5d186\" kind=\"function\">\n       <name>gmx_mindist</name>\n     </member>\n   </compound>\n   <compound refid=\"tests_2gmx__mindist_8cpp\" kind=\"file\">\n     <name>gmx_mindist.cpp</name>\n   </compound>\n-  <compound refid=\"gmx__traj_8cpp\" kind=\"file\">\n-    <name>gmx_traj.cpp</name>\n-    <member refid=\"gmx__traj_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n-      <name>NFILE</name>\n-    </member>\n-    <member refid=\"gmx__traj_8cpp_1ae8e838c53009b0854bf4f37f2abc57c7\" kind=\"function\">\n-      <name>low_print_data</name>\n-    </member>\n-    <member refid=\"gmx__traj_8cpp_1ac861f5a221b63b83dc47166b2da84c73\" kind=\"function\">\n-      <name>average_data</name>\n-    </member>\n-    <member refid=\"gmx__traj_8cpp_1a32b5ca099d51edc019546440cd06aa76\" kind=\"function\">\n-      <name>print_data</name>\n-    </member>\n-    <member refid=\"gmx__traj_8cpp_1a9999daa9afb3d451f89444c34867c216\" kind=\"function\">\n-      <name>write_trx_x</name>\n-    </member>\n-    <member refid=\"gmx__traj_8cpp_1aef86e047c8c2036598a7f0317f7e9a37\" kind=\"function\">\n-      <name>make_legend</name>\n-    </member>\n-    <member refid=\"gmx__traj_8cpp_1a2cb475eba4645c7d933055c5bcf134be\" kind=\"function\">\n-      <name>ekrot</name>\n-    </member>\n-    <member refid=\"gmx__traj_8cpp_1a8154fc26003a9194b37b338c3f860637\" kind=\"function\">\n-      <name>ektrans</name>\n-    </member>\n-    <member refid=\"gmx__traj_8cpp_1a9da9b3daff29b8d892dfc5b9ee1b92ad\" kind=\"function\">\n-      <name>temp</name>\n-    </member>\n-    <member refid=\"gmx__traj_8cpp_1a6c5e0eedcff9708c15dc4dd41b55ec1b\" kind=\"function\">\n-      <name>remove_jump</name>\n-    </member>\n-    <member refid=\"gmx__traj_8cpp_1a0c17dde5f71ffa0ecac72dd9c6c5a0f7\" kind=\"function\">\n-      <name>write_pdb_bfac</name>\n-    </member>\n-    <member refid=\"gmx__traj_8cpp_1ad581023f2f40059eb9370ddd903636dd\" kind=\"function\">\n-      <name>update_histo</name>\n-    </member>\n-    <member refid=\"gmx__traj_8cpp_1a9ac1bfd2958d0100a3f23e07962565fc\" kind=\"function\">\n-      <name>print_histo</name>\n-    </member>\n-    <member refid=\"gmx__traj_8cpp_1adf81d84fbc02230037a2cd374fe1cef0\" kind=\"function\">\n-      <name>gmx_traj</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2gmx__traj_8cpp\" kind=\"file\">\n-    <name>gmx_traj.cpp</name>\n-  </compound>\n   <compound refid=\"thermochemistry_8cpp\" kind=\"file\">\n     <name>thermochemistry.cpp</name>\n     <member refid=\"thermochemistry_8cpp_1afc7d98bd66f32ce4d86bd4036f675ae3\" kind=\"function\">\n       <name>eigenvalueToFrequency</name>\n     </member>\n     <member refid=\"thermochemistry_8cpp_1a094b8991b247289b362ebac6cedd4d95\" kind=\"function\">\n       <name>calcZeroPointEnergy</name>\n@@ -88808,53 +88745,14 @@\n     <member refid=\"network_8h_1a56f020290f96e39362aed68b62efa7c4\" kind=\"function\">\n       <name>opt2fn_main</name>\n     </member>\n     <member refid=\"network_8h_1a5cb9535957d30ddd7afe311db43e30e2\" kind=\"function\">\n       <name>gmx_fatal_collective</name>\n     </member>\n   </compound>\n-  <compound refid=\"nb__free__energy_8h\" kind=\"file\">\n-    <name>nb_free_energy.h</name>\n-    <member refid=\"nb__free__energy_8h_1a5fb4808bddfe38d0c4c63e9ec0f3721b\" kind=\"function\">\n-      <name>gmx_nb_free_energy_kernel</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"nb__softcore_8h\" kind=\"file\">\n-    <name>nb_softcore.h</name>\n-    <member refid=\"nb__softcore_8h_1aba1769ae446f1957210198f55a406ace\" kind=\"function\">\n-      <name>quadraticApproximationCoulomb</name>\n-    </member>\n-    <member refid=\"nb__softcore_8h_1a6a8eefecccf2a4323b80520490649b7c\" kind=\"function\">\n-      <name>reactionFieldQuadraticPotential</name>\n-    </member>\n-    <member refid=\"nb__softcore_8h_1a519184367f6cab91f5449ff38f7ca1d0\" kind=\"function\">\n-      <name>ewaldQuadraticPotential</name>\n-    </member>\n-    <member refid=\"nb__softcore_8h_1a9b3ad2679a873035b1c5cb3dd96a93f2\" kind=\"function\">\n-      <name>lennardJonesQuadraticPotential</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"nonbonded_8h\" kind=\"file\">\n-    <name>nonbonded.h</name>\n-    <member refid=\"nonbonded_8h_1a379121a934185071f7b2fa972a37ad56\" kind=\"define\">\n-      <name>GMX_NONBONDED_DO_FORCE</name>\n-    </member>\n-    <member refid=\"nonbonded_8h_1a5e1835bca70136c081754020626b1c10\" kind=\"define\">\n-      <name>GMX_NONBONDED_DO_SHIFTFORCE</name>\n-    </member>\n-    <member refid=\"nonbonded_8h_1af539f5e81142a5b0413e29b77a648e3b\" kind=\"define\">\n-      <name>GMX_NONBONDED_DO_FOREIGNLAMBDA</name>\n-    </member>\n-    <member refid=\"nonbonded_8h_1aac85209a6ce4f04df1cf4b7f5f839ee7\" kind=\"define\">\n-      <name>GMX_NONBONDED_DO_POTENTIAL</name>\n-    </member>\n-    <member refid=\"nonbonded_8h_1a2efab91d615a95f82d5fa646f52c8a7a\" kind=\"define\">\n-      <name>GMX_NONBONDED_DO_SR</name>\n-    </member>\n-  </compound>\n   <compound refid=\"nb__free__energy_8cpp\" kind=\"file\">\n     <name>nb_free_energy.cpp</name>\n     <member refid=\"nb__free__energy_8cpp_1a6e61a5812c9a549418a1710251f467b7\" kind=\"define\">\n       <name>STATE_A</name>\n     </member>\n     <member refid=\"nb__free__energy_8cpp_1a43e0f8bc290fc15f4e8e92709bf1a411\" kind=\"define\">\n       <name>STATE_B</name>\n@@ -88964,14 +88862,53 @@\n     <member refid=\"nb__free__energy_8cpp_1afbe2bbaa540cae0fa5cd5a8a11f5d581\" kind=\"function\">\n       <name>gmx_nb_free_energy_kernel</name>\n     </member>\n   </compound>\n   <compound refid=\"tests_2nb__free__energy_8cpp\" kind=\"file\">\n     <name>nb_free_energy.cpp</name>\n   </compound>\n+  <compound refid=\"nb__free__energy_8h\" kind=\"file\">\n+    <name>nb_free_energy.h</name>\n+    <member refid=\"nb__free__energy_8h_1a5fb4808bddfe38d0c4c63e9ec0f3721b\" kind=\"function\">\n+      <name>gmx_nb_free_energy_kernel</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"nb__softcore_8h\" kind=\"file\">\n+    <name>nb_softcore.h</name>\n+    <member refid=\"nb__softcore_8h_1aba1769ae446f1957210198f55a406ace\" kind=\"function\">\n+      <name>quadraticApproximationCoulomb</name>\n+    </member>\n+    <member refid=\"nb__softcore_8h_1a6a8eefecccf2a4323b80520490649b7c\" kind=\"function\">\n+      <name>reactionFieldQuadraticPotential</name>\n+    </member>\n+    <member refid=\"nb__softcore_8h_1a519184367f6cab91f5449ff38f7ca1d0\" kind=\"function\">\n+      <name>ewaldQuadraticPotential</name>\n+    </member>\n+    <member refid=\"nb__softcore_8h_1a9b3ad2679a873035b1c5cb3dd96a93f2\" kind=\"function\">\n+      <name>lennardJonesQuadraticPotential</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"nonbonded_8h\" kind=\"file\">\n+    <name>nonbonded.h</name>\n+    <member refid=\"nonbonded_8h_1a379121a934185071f7b2fa972a37ad56\" kind=\"define\">\n+      <name>GMX_NONBONDED_DO_FORCE</name>\n+    </member>\n+    <member refid=\"nonbonded_8h_1a5e1835bca70136c081754020626b1c10\" kind=\"define\">\n+      <name>GMX_NONBONDED_DO_SHIFTFORCE</name>\n+    </member>\n+    <member refid=\"nonbonded_8h_1af539f5e81142a5b0413e29b77a648e3b\" kind=\"define\">\n+      <name>GMX_NONBONDED_DO_FOREIGNLAMBDA</name>\n+    </member>\n+    <member refid=\"nonbonded_8h_1aac85209a6ce4f04df1cf4b7f5f839ee7\" kind=\"define\">\n+      <name>GMX_NONBONDED_DO_POTENTIAL</name>\n+    </member>\n+    <member refid=\"nonbonded_8h_1a2efab91d615a95f82d5fa646f52c8a7a\" kind=\"define\">\n+      <name>GMX_NONBONDED_DO_SR</name>\n+    </member>\n+  </compound>\n   <compound refid=\"nrnb_8cpp\" kind=\"file\">\n     <name>nrnb.cpp</name>\n     <member refid=\"nrnb_8cpp_1af3f4635201e0ac9a9d035a9b7b7ecdcd\" kind=\"variable\">\n       <name>nbdata</name>\n     </member>\n     <member refid=\"nrnb_8cpp_1aa07e25d4288e5c93712c65b183a4645a\" kind=\"function\">\n       <name>pr_two</name>\n@@ -89513,14 +89450,44 @@\n   </compound>\n   <compound refid=\"calch_8h\" kind=\"file\">\n     <name>calch.h</name>\n     <member refid=\"calch_8h_1af7da6aba1d3f97934ed464fbfa85cca0\" kind=\"function\">\n       <name>calc_h_pos</name>\n     </member>\n   </compound>\n+  <compound refid=\"convparm_8cpp\" kind=\"file\">\n+    <name>convparm.cpp</name>\n+    <member refid=\"convparm_8cpp_1afcbb621f42dd404d755889586608e0cb\" kind=\"function\">\n+      <name>round_check</name>\n+    </member>\n+    <member refid=\"convparm_8cpp_1a8ff8fcbe6ff15a6dfa1565a2cff5c07c\" kind=\"function\">\n+      <name>set_ljparams</name>\n+    </member>\n+    <member refid=\"convparm_8cpp_1a8eba9d3de3d2622ea37512003116365e\" kind=\"function\">\n+      <name>assign_param</name>\n+    </member>\n+    <member refid=\"convparm_8cpp_1ab7ae27970184042a7b31d25cd5533521\" kind=\"function\">\n+      <name>enter_params</name>\n+    </member>\n+    <member refid=\"convparm_8cpp_1acbdf676dff3ade5d6a6fcb257faa662e\" kind=\"function\">\n+      <name>append_interaction</name>\n+    </member>\n+    <member refid=\"convparm_8cpp_1afbb0b58da4942bed21769448e560a441\" kind=\"function\">\n+      <name>enter_function</name>\n+    </member>\n+    <member refid=\"convparm_8cpp_1a62d8f954c2371f347079206d96cacb71\" kind=\"function\">\n+      <name>shouldConvertInteractionType</name>\n+    </member>\n+    <member refid=\"convparm_8cpp_1a1a90011de74cbb27d06ad8843b6a2c39\" kind=\"function\">\n+      <name>convertInteractionsOfType</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2convparm_8cpp\" kind=\"file\">\n+    <name>convparm.cpp</name>\n+  </compound>\n   <compound refid=\"convparm_8h\" kind=\"file\">\n     <name>convparm.h</name>\n     <member refid=\"convparm_8h_1a62d8f954c2371f347079206d96cacb71\" kind=\"function\">\n       <name>shouldConvertInteractionType</name>\n     </member>\n     <member refid=\"convparm_8h_1a1a90011de74cbb27d06ad8843b6a2c39\" kind=\"function\">\n       <name>convertInteractionsOfType</name>\n@@ -89660,14 +89627,32 @@\n   </compound>\n   <compound refid=\"gen__ad_8h\" kind=\"file\">\n     <name>gen_ad.h</name>\n     <member refid=\"gen__ad_8h_1a2dccd848375bda9a12f0965dc37e0d56\" kind=\"function\">\n       <name>gen_pad</name>\n     </member>\n   </compound>\n+  <compound refid=\"gen__maxwell__velocities_8cpp\" kind=\"file\">\n+    <name>gen_maxwell_velocities.cpp</name>\n+    <member refid=\"gen__maxwell__velocities_8cpp_1a5809290568e3b21c2176d8fd3e4566fc\" kind=\"function\">\n+      <name>low_mspeed</name>\n+    </member>\n+    <member refid=\"gen__maxwell__velocities_8cpp_1a3f4beafad4452400388d429a2366d7df\" kind=\"function\">\n+      <name>maxwell_speed</name>\n+    </member>\n+    <member refid=\"gen__maxwell__velocities_8cpp_1a26166fde04e80ce17129038d97088a9e\" kind=\"function\">\n+      <name>calc_cm</name>\n+    </member>\n+    <member refid=\"gen__maxwell__velocities_8cpp_1ac1c6912fc346ec37b47dc02ae9a5c23a\" kind=\"function\">\n+      <name>stop_cm</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2gen__maxwell__velocities_8cpp\" kind=\"file\">\n+    <name>gen_maxwell_velocities.cpp</name>\n+  </compound>\n   <compound refid=\"gen__maxwell__velocities_8h\" kind=\"file\">\n     <name>gen_maxwell_velocities.h</name>\n     <member refid=\"gen__maxwell__velocities_8h_1a3f4beafad4452400388d429a2366d7df\" kind=\"function\">\n       <name>maxwell_speed</name>\n     </member>\n     <member refid=\"gen__maxwell__velocities_8h_1afae4ed9c089423241f3c87c7ac5cc89b\" kind=\"function\">\n       <name>stop_cm</name>\n@@ -89816,14 +89801,29 @@\n     <member refid=\"gen__vsite_8h_1afeb485013b0b6c3d72ac81206619b3e6\" kind=\"function\">\n       <name>do_vsites</name>\n     </member>\n     <member refid=\"gen__vsite_8h_1a3d5c9031fc9e1803f6459cbd57d52245\" kind=\"function\">\n       <name>do_h_mass</name>\n     </member>\n   </compound>\n+  <compound refid=\"genconf_8cpp\" kind=\"file\">\n+    <name>genconf.cpp</name>\n+    <member refid=\"genconf_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n+      <name>NFILE</name>\n+    </member>\n+    <member refid=\"genconf_8cpp_1a22f27a20d6a7f343aa7298a4883864ab\" kind=\"function\">\n+      <name>rand_rot</name>\n+    </member>\n+    <member refid=\"genconf_8cpp_1a1871b9d701e329734f0bb8b82b16ab09\" kind=\"function\">\n+      <name>gmx_genconf</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2genconf_8cpp\" kind=\"file\">\n+    <name>genconf.cpp</name>\n+  </compound>\n   <compound refid=\"genconf_8h\" kind=\"file\">\n     <name>genconf.h</name>\n     <member refid=\"genconf_8h_1a1871b9d701e329734f0bb8b82b16ab09\" kind=\"function\">\n       <name>gmx_genconf</name>\n     </member>\n   </compound>\n   <compound refid=\"genhydro_8cpp\" kind=\"file\">\n@@ -90011,22 +90011,25 @@\n     <member refid=\"gmxcpp_8h_1a9927ed498f6afa10dbb75b5dac721487\" kind=\"function\">\n       <name>cpp_error</name>\n     </member>\n     <member refid=\"gmxcpp_8h_1aeae6c0574352a05649a344de5a38c911\" kind=\"function\">\n       <name>checkAndWarnForUnusedDefines</name>\n     </member>\n   </compound>\n-  <compound refid=\"gpp__atomtype_8h\" kind=\"file\">\n-    <name>gpp_atomtype.h</name>\n+  <compound refid=\"gpp__atomtype_8cpp\" kind=\"file\">\n+    <name>gpp_atomtype.cpp</name>\n+    <member refid=\"gpp__atomtype_8cpp_1a2ab48fac86e5c852d32e3b9703002843\" kind=\"function\">\n+      <name>search_atomtypes</name>\n+    </member>\n   </compound>\n-  <compound refid=\"gpp__bond__atomtype_8cpp\" kind=\"file\">\n-    <name>gpp_bond_atomtype.cpp</name>\n+  <compound refid=\"tests_2gpp__atomtype_8cpp\" kind=\"file\">\n+    <name>gpp_atomtype.cpp</name>\n   </compound>\n-  <compound refid=\"tests_2gpp__bond__atomtype_8cpp\" kind=\"file\">\n-    <name>gpp_bond_atomtype.cpp</name>\n+  <compound refid=\"gpp__atomtype_8h\" kind=\"file\">\n+    <name>gpp_atomtype.h</name>\n   </compound>\n   <compound refid=\"gpp__bond__atomtype_8h\" kind=\"file\">\n     <name>gpp_bond_atomtype.h</name>\n   </compound>\n   <compound refid=\"gpp__nextnb_8cpp\" kind=\"file\">\n     <name>gpp_nextnb.cpp</name>\n     <member refid=\"gpp__nextnb_8cpp_1a03602cf42d3a33820255abef54f2fb69\" kind=\"define\">\n@@ -90263,14 +90266,50 @@\n   </compound>\n   <compound refid=\"hizzie_8h\" kind=\"file\">\n     <name>hizzie.h</name>\n     <member refid=\"hizzie_8h_1ad6b814c4d960705e883d310a16052162\" kind=\"function\">\n       <name>set_histp</name>\n     </member>\n   </compound>\n+  <compound refid=\"insert__molecules_8cpp\" kind=\"file\">\n+    <name>insert_molecules.cpp</name>\n+    <member refid=\"insert__molecules_8cpp_1a2c7700557eccb4d31ef2c21fc354e31d\" kind=\"enum\">\n+      <name>RotationType</name>\n+    </member>\n+    <member refid=\"insert__molecules_8cpp_1a2c7700557eccb4d31ef2c21fc354e31dae65075d550f9b5bf9992fa1d71a131be\" kind=\"enumvalue\">\n+      <name>XYZ</name>\n+    </member>\n+    <member refid=\"insert__molecules_8cpp_1a2c7700557eccb4d31ef2c21fc354e31da21c2e59531c8710156d34a3c30ac81d5\" kind=\"enumvalue\">\n+      <name>Z</name>\n+    </member>\n+    <member refid=\"insert__molecules_8cpp_1a2c7700557eccb4d31ef2c21fc354e31da6adf97f83acf6453d4a6a4b1070f3754\" kind=\"enumvalue\">\n+      <name>None</name>\n+    </member>\n+    <member refid=\"insert__molecules_8cpp_1a2c7700557eccb4d31ef2c21fc354e31dae93f994f01c537c4e2f7d8528c3eb5e9\" kind=\"enumvalue\">\n+      <name>Count</name>\n+    </member>\n+    <member refid=\"insert__molecules_8cpp_1afb167a33d6f304f452de0183f0dc19e3\" kind=\"variable\">\n+      <name>c_rotationTypeNames</name>\n+    </member>\n+    <member refid=\"insert__molecules_8cpp_1a84bff43823fda0e3866a54c3c5f7cf7f\" kind=\"function\">\n+      <name>center_molecule</name>\n+    </member>\n+    <member refid=\"insert__molecules_8cpp_1a68d664a59971a52d7f958e6c936bc1ad\" kind=\"function\">\n+      <name>generate_trial_conf</name>\n+    </member>\n+    <member refid=\"insert__molecules_8cpp_1a77e7cdb7f79eb11a941af7630e7394a1\" kind=\"function\">\n+      <name>isInsertionAllowed</name>\n+    </member>\n+    <member refid=\"insert__molecules_8cpp_1a6cfda6d1753fa4b4713242bfee5b9d72\" kind=\"function\">\n+      <name>insert_mols</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2insert__molecules_8cpp\" kind=\"file\">\n+    <name>insert_molecules.cpp</name>\n+  </compound>\n   <compound refid=\"insert__molecules_8h\" kind=\"file\">\n     <name>insert_molecules.h</name>\n   </compound>\n   <compound refid=\"makeexclusiondistances_8cpp\" kind=\"file\">\n     <name>makeexclusiondistances.cpp</name>\n     <member refid=\"makeexclusiondistances_8cpp_1ac6c1fd7ee9bb7cb224b1d7513b20c8d0\" kind=\"function\">\n       <name>makeExclusionDistances</name>\n@@ -90278,14 +90317,20 @@\n   </compound>\n   <compound refid=\"makeexclusiondistances_8h\" kind=\"file\">\n     <name>makeexclusiondistances.h</name>\n     <member refid=\"makeexclusiondistances_8h_1ac6c1fd7ee9bb7cb224b1d7513b20c8d0\" kind=\"function\">\n       <name>makeExclusionDistances</name>\n     </member>\n   </compound>\n+  <compound refid=\"massrepartitioning_8cpp\" kind=\"file\">\n+    <name>massrepartitioning.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2massrepartitioning_8cpp\" kind=\"file\">\n+    <name>massrepartitioning.cpp</name>\n+  </compound>\n   <compound refid=\"massrepartitioning_8h\" kind=\"file\">\n     <name>massrepartitioning.h</name>\n   </compound>\n   <compound refid=\"nm2type_8cpp\" kind=\"file\">\n     <name>nm2type.cpp</name>\n     <member refid=\"nm2type_8cpp_1a6b07e4871725dde4c716eb22b99d2231\" kind=\"define\">\n       <name>prev</name>\n@@ -90338,14 +90383,20 @@\n   </compound>\n   <compound refid=\"notset_8h\" kind=\"file\">\n     <name>notset.h</name>\n     <member refid=\"notset_8h_1adfae5173b03012cdb3c83cdc45ae73ba\" kind=\"variable\">\n       <name>NOTSET</name>\n     </member>\n   </compound>\n+  <compound refid=\"pdb2gmx_8cpp\" kind=\"file\">\n+    <name>pdb2gmx.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2pdb2gmx_8cpp\" kind=\"file\">\n+    <name>pdb2gmx.cpp</name>\n+  </compound>\n   <compound refid=\"pdb2gmx_8h\" kind=\"file\">\n     <name>pdb2gmx.h</name>\n   </compound>\n   <compound refid=\"pdb2top_8cpp\" kind=\"file\">\n     <name>pdb2top.cpp</name>\n     <member refid=\"pdb2top_8cpp_1ae74319edb8199e6356e5a4eb89b95093\" kind=\"define\">\n       <name>NUM_CMAP_ATOMS</name>\n@@ -90872,14 +90923,53 @@\n     <member refid=\"resall_8h_1a50a12a882cf1a437fca36c47ce6d23d1\" kind=\"function\">\n       <name>readResidueDatabase</name>\n     </member>\n     <member refid=\"resall_8h_1afbd28b7c0e308005c53b31f428715e5e\" kind=\"function\">\n       <name>print_resall</name>\n     </member>\n   </compound>\n+  <compound refid=\"solvate_8cpp\" kind=\"file\">\n+    <name>solvate.cpp</name>\n+    <member refid=\"solvate_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n+      <name>NFILE</name>\n+    </member>\n+    <member refid=\"solvate_8cpp_1a796ba2efb645a93a7eec5fe232fd6d23\" kind=\"function\">\n+      <name>sort_molecule</name>\n+    </member>\n+    <member refid=\"solvate_8cpp_1aa6b5d5c072fdb10c595058cb5391945f\" kind=\"function\">\n+      <name>rm_res_pbc</name>\n+    </member>\n+    <member refid=\"solvate_8cpp_1a7d26b6109ee27ace95e17c74708785aa\" kind=\"function\">\n+      <name>replicateSolventBox</name>\n+    </member>\n+    <member refid=\"solvate_8cpp_1a044979f032705894fdcd99296c7728c3\" kind=\"function\">\n+      <name>removeSolventBoxOverlap</name>\n+    </member>\n+    <member refid=\"solvate_8cpp_1af65b3ad1749f4e133c73f169fd077e5d\" kind=\"function\">\n+      <name>removeSolventOutsideShell</name>\n+    </member>\n+    <member refid=\"solvate_8cpp_1ad4104480307f22a6f0c1374c9a7e7870\" kind=\"function\">\n+      <name>removeSolventOverlappingWithSolute</name>\n+    </member>\n+    <member refid=\"solvate_8cpp_1aa09a33d876ff90e57e6f5f80462749f9\" kind=\"function\">\n+      <name>removeExtraSolventMolecules</name>\n+    </member>\n+    <member refid=\"solvate_8cpp_1a136dcaa996fc7900a54a1c6a20db392e\" kind=\"function\">\n+      <name>add_solv</name>\n+    </member>\n+    <member refid=\"solvate_8cpp_1aa203e60ce9cba1b23a3c2477abf906b9\" kind=\"function\">\n+      <name>update_top</name>\n+    </member>\n+    <member refid=\"solvate_8cpp_1a455eb9d4dd00278b9c05c9aaacc81ad6\" kind=\"function\">\n+      <name>gmx_solvate</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2solvate_8cpp\" kind=\"file\">\n+    <name>solvate.cpp</name>\n+  </compound>\n   <compound refid=\"solvate_8h\" kind=\"file\">\n     <name>solvate.h</name>\n     <member refid=\"solvate_8h_1a455eb9d4dd00278b9c05c9aaacc81ad6\" kind=\"function\">\n       <name>gmx_solvate</name>\n     </member>\n   </compound>\n   <compound refid=\"specbond_8cpp\" kind=\"file\">\n@@ -90968,44 +91058,14 @@\n     <member refid=\"ter__db_8h_1af169aeff76251c88472edfbd83e9a4fe\" kind=\"function\">\n       <name>filter_ter</name>\n     </member>\n     <member refid=\"ter__db_8h_1a55ce9712e17d4916742f198a941739ba\" kind=\"function\">\n       <name>choose_ter</name>\n     </member>\n   </compound>\n-  <compound refid=\"convparm_8cpp\" kind=\"file\">\n-    <name>convparm.cpp</name>\n-    <member refid=\"convparm_8cpp_1afcbb621f42dd404d755889586608e0cb\" kind=\"function\">\n-      <name>round_check</name>\n-    </member>\n-    <member refid=\"convparm_8cpp_1a8ff8fcbe6ff15a6dfa1565a2cff5c07c\" kind=\"function\">\n-      <name>set_ljparams</name>\n-    </member>\n-    <member refid=\"convparm_8cpp_1a8eba9d3de3d2622ea37512003116365e\" kind=\"function\">\n-      <name>assign_param</name>\n-    </member>\n-    <member refid=\"convparm_8cpp_1ab7ae27970184042a7b31d25cd5533521\" kind=\"function\">\n-      <name>enter_params</name>\n-    </member>\n-    <member refid=\"convparm_8cpp_1acbdf676dff3ade5d6a6fcb257faa662e\" kind=\"function\">\n-      <name>append_interaction</name>\n-    </member>\n-    <member refid=\"convparm_8cpp_1afbb0b58da4942bed21769448e560a441\" kind=\"function\">\n-      <name>enter_function</name>\n-    </member>\n-    <member refid=\"convparm_8cpp_1a62d8f954c2371f347079206d96cacb71\" kind=\"function\">\n-      <name>shouldConvertInteractionType</name>\n-    </member>\n-    <member refid=\"convparm_8cpp_1a1a90011de74cbb27d06ad8843b6a2c39\" kind=\"function\">\n-      <name>convertInteractionsOfType</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2convparm_8cpp\" kind=\"file\">\n-    <name>convparm.cpp</name>\n-  </compound>\n   <compound refid=\"editconf_8cpp\" kind=\"file\">\n     <name>editconf.cpp</name>\n     <member refid=\"editconf_8cpp_1ab70d4725699c0935e4847676027e7820\" kind=\"define\">\n       <name>NPA</name>\n     </member>\n     <member refid=\"editconf_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n       <name>NFILE</name>\n@@ -91046,47 +91106,14 @@\n     <member refid=\"editconf_8cpp_1aac7d76da29a5aa9d25ad34662c59bcea\" kind=\"function\">\n       <name>gmx_editconf</name>\n     </member>\n   </compound>\n   <compound refid=\"tests_2editconf_8cpp\" kind=\"file\">\n     <name>editconf.cpp</name>\n   </compound>\n-  <compound refid=\"gen__maxwell__velocities_8cpp\" kind=\"file\">\n-    <name>gen_maxwell_velocities.cpp</name>\n-    <member refid=\"gen__maxwell__velocities_8cpp_1a5809290568e3b21c2176d8fd3e4566fc\" kind=\"function\">\n-      <name>low_mspeed</name>\n-    </member>\n-    <member refid=\"gen__maxwell__velocities_8cpp_1a3f4beafad4452400388d429a2366d7df\" kind=\"function\">\n-      <name>maxwell_speed</name>\n-    </member>\n-    <member refid=\"gen__maxwell__velocities_8cpp_1a26166fde04e80ce17129038d97088a9e\" kind=\"function\">\n-      <name>calc_cm</name>\n-    </member>\n-    <member refid=\"gen__maxwell__velocities_8cpp_1ac1c6912fc346ec37b47dc02ae9a5c23a\" kind=\"function\">\n-      <name>stop_cm</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2gen__maxwell__velocities_8cpp\" kind=\"file\">\n-    <name>gen_maxwell_velocities.cpp</name>\n-  </compound>\n-  <compound refid=\"genconf_8cpp\" kind=\"file\">\n-    <name>genconf.cpp</name>\n-    <member refid=\"genconf_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n-      <name>NFILE</name>\n-    </member>\n-    <member refid=\"genconf_8cpp_1a22f27a20d6a7f343aa7298a4883864ab\" kind=\"function\">\n-      <name>rand_rot</name>\n-    </member>\n-    <member refid=\"genconf_8cpp_1a1871b9d701e329734f0bb8b82b16ab09\" kind=\"function\">\n-      <name>gmx_genconf</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2genconf_8cpp\" kind=\"file\">\n-    <name>genconf.cpp</name>\n-  </compound>\n   <compound refid=\"genion_8cpp\" kind=\"file\">\n     <name>genion.cpp</name>\n     <member refid=\"genion_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n       <name>NFILE</name>\n     </member>\n     <member refid=\"genion_8cpp_1a34d5f00766619bdb7693dc6903c10a76\" kind=\"function\">\n       <name>groupsCloserThanCutoffWithPbc</name>\n@@ -91127,113 +91154,44 @@\n     <member refid=\"genrestr_8cpp_1a7dd6a5abe3df85f079b33ae2f2fc0511\" kind=\"function\">\n       <name>gmx_genrestr</name>\n     </member>\n   </compound>\n   <compound refid=\"tests_2genrestr_8cpp\" kind=\"file\">\n     <name>genrestr.cpp</name>\n   </compound>\n-  <compound refid=\"gpp__atomtype_8cpp\" kind=\"file\">\n-    <name>gpp_atomtype.cpp</name>\n-    <member refid=\"gpp__atomtype_8cpp_1a2ab48fac86e5c852d32e3b9703002843\" kind=\"function\">\n-      <name>search_atomtypes</name>\n-    </member>\n+  <compound refid=\"gpp__bond__atomtype_8cpp\" kind=\"file\">\n+    <name>gpp_bond_atomtype.cpp</name>\n   </compound>\n-  <compound refid=\"tests_2gpp__atomtype_8cpp\" kind=\"file\">\n-    <name>gpp_atomtype.cpp</name>\n+  <compound refid=\"tests_2gpp__bond__atomtype_8cpp\" kind=\"file\">\n+    <name>gpp_bond_atomtype.cpp</name>\n   </compound>\n   <compound refid=\"grompp__directives_8cpp\" kind=\"file\">\n     <name>grompp_directives.cpp</name>\n   </compound>\n-  <compound refid=\"insert__molecules_8cpp\" kind=\"file\">\n-    <name>insert_molecules.cpp</name>\n-    <member refid=\"insert__molecules_8cpp_1a2c7700557eccb4d31ef2c21fc354e31d\" kind=\"enum\">\n-      <name>RotationType</name>\n-    </member>\n-    <member refid=\"insert__molecules_8cpp_1a2c7700557eccb4d31ef2c21fc354e31dae65075d550f9b5bf9992fa1d71a131be\" kind=\"enumvalue\">\n-      <name>XYZ</name>\n-    </member>\n-    <member refid=\"insert__molecules_8cpp_1a2c7700557eccb4d31ef2c21fc354e31da21c2e59531c8710156d34a3c30ac81d5\" kind=\"enumvalue\">\n-      <name>Z</name>\n-    </member>\n-    <member refid=\"insert__molecules_8cpp_1a2c7700557eccb4d31ef2c21fc354e31da6adf97f83acf6453d4a6a4b1070f3754\" kind=\"enumvalue\">\n-      <name>None</name>\n-    </member>\n-    <member refid=\"insert__molecules_8cpp_1a2c7700557eccb4d31ef2c21fc354e31dae93f994f01c537c4e2f7d8528c3eb5e9\" kind=\"enumvalue\">\n-      <name>Count</name>\n-    </member>\n-    <member refid=\"insert__molecules_8cpp_1afb167a33d6f304f452de0183f0dc19e3\" kind=\"variable\">\n-      <name>c_rotationTypeNames</name>\n-    </member>\n-    <member refid=\"insert__molecules_8cpp_1a84bff43823fda0e3866a54c3c5f7cf7f\" kind=\"function\">\n-      <name>center_molecule</name>\n+  <compound refid=\"tomorse_8cpp\" kind=\"file\">\n+    <name>tomorse.cpp</name>\n+    <member refid=\"tomorse_8cpp_1a49f9ac0e0b195dafac44f351d83be82c\" kind=\"function\">\n+      <name>read_dissociation_energies</name>\n     </member>\n-    <member refid=\"insert__molecules_8cpp_1a68d664a59971a52d7f958e6c936bc1ad\" kind=\"function\">\n-      <name>generate_trial_conf</name>\n+    <member refid=\"tomorse_8cpp_1a91e540f22f3a8a313122518d3f3b7410\" kind=\"function\">\n+      <name>nequal</name>\n     </member>\n-    <member refid=\"insert__molecules_8cpp_1a77e7cdb7f79eb11a941af7630e7394a1\" kind=\"function\">\n-      <name>isInsertionAllowed</name>\n+    <member refid=\"tomorse_8cpp_1aaa0ec48841102f0ed7c10d8f4cdf2d06\" kind=\"function\">\n+      <name>search_e_diss</name>\n     </member>\n-    <member refid=\"insert__molecules_8cpp_1a6cfda6d1753fa4b4713242bfee5b9d72\" kind=\"function\">\n-      <name>insert_mols</name>\n+    <member refid=\"tomorse_8cpp_1a2ce5bfd86cd943ae5baa72962c79585a\" kind=\"function\">\n+      <name>convert_harmonics</name>\n     </member>\n   </compound>\n-  <compound refid=\"tests_2insert__molecules_8cpp\" kind=\"file\">\n-    <name>insert_molecules.cpp</name>\n-  </compound>\n-  <compound refid=\"massrepartitioning_8cpp\" kind=\"file\">\n-    <name>massrepartitioning.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2massrepartitioning_8cpp\" kind=\"file\">\n-    <name>massrepartitioning.cpp</name>\n-  </compound>\n-  <compound refid=\"pdb2gmx_8cpp\" kind=\"file\">\n-    <name>pdb2gmx.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2pdb2gmx_8cpp\" kind=\"file\">\n-    <name>pdb2gmx.cpp</name>\n-  </compound>\n-  <compound refid=\"solvate_8cpp\" kind=\"file\">\n-    <name>solvate.cpp</name>\n-    <member refid=\"solvate_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n-      <name>NFILE</name>\n-    </member>\n-    <member refid=\"solvate_8cpp_1a796ba2efb645a93a7eec5fe232fd6d23\" kind=\"function\">\n-      <name>sort_molecule</name>\n-    </member>\n-    <member refid=\"solvate_8cpp_1aa6b5d5c072fdb10c595058cb5391945f\" kind=\"function\">\n-      <name>rm_res_pbc</name>\n-    </member>\n-    <member refid=\"solvate_8cpp_1a7d26b6109ee27ace95e17c74708785aa\" kind=\"function\">\n-      <name>replicateSolventBox</name>\n-    </member>\n-    <member refid=\"solvate_8cpp_1a044979f032705894fdcd99296c7728c3\" kind=\"function\">\n-      <name>removeSolventBoxOverlap</name>\n-    </member>\n-    <member refid=\"solvate_8cpp_1af65b3ad1749f4e133c73f169fd077e5d\" kind=\"function\">\n-      <name>removeSolventOutsideShell</name>\n-    </member>\n-    <member refid=\"solvate_8cpp_1ad4104480307f22a6f0c1374c9a7e7870\" kind=\"function\">\n-      <name>removeSolventOverlappingWithSolute</name>\n-    </member>\n-    <member refid=\"solvate_8cpp_1aa09a33d876ff90e57e6f5f80462749f9\" kind=\"function\">\n-      <name>removeExtraSolventMolecules</name>\n-    </member>\n-    <member refid=\"solvate_8cpp_1a136dcaa996fc7900a54a1c6a20db392e\" kind=\"function\">\n-      <name>add_solv</name>\n-    </member>\n-    <member refid=\"solvate_8cpp_1aa203e60ce9cba1b23a3c2477abf906b9\" kind=\"function\">\n-      <name>update_top</name>\n-    </member>\n-    <member refid=\"solvate_8cpp_1a455eb9d4dd00278b9c05c9aaacc81ad6\" kind=\"function\">\n-      <name>gmx_solvate</name>\n+  <compound refid=\"tomorse_8h\" kind=\"file\">\n+    <name>tomorse.h</name>\n+    <member refid=\"tomorse_8h_1a2ce5bfd86cd943ae5baa72962c79585a\" kind=\"function\">\n+      <name>convert_harmonics</name>\n     </member>\n   </compound>\n-  <compound refid=\"tests_2solvate_8cpp\" kind=\"file\">\n-    <name>solvate.cpp</name>\n-  </compound>\n   <compound refid=\"tests_2topdirs_8cpp\" kind=\"file\">\n     <name>topdirs.cpp</name>\n   </compound>\n   <compound refid=\"topdirs_8cpp\" kind=\"file\">\n     <name>topdirs.cpp</name>\n     <member refid=\"topdirs_8cpp_1a71dd50e50b9b14886d041f466048841f\" kind=\"enum\">\n       <name>DeprecatedDirectives</name>\n@@ -91286,35 +91244,14 @@\n     <member refid=\"topdirs_8cpp_1ac7319c2107ed153afacfc2c707aa9a1b\" kind=\"function\">\n       <name>DS_Search</name>\n     </member>\n     <member refid=\"topdirs_8cpp_1ad4c8fd4cc14cd62151bb6b149038cfb2\" kind=\"function\">\n       <name>DS_Check_Order</name>\n     </member>\n   </compound>\n-  <compound refid=\"tomorse_8cpp\" kind=\"file\">\n-    <name>tomorse.cpp</name>\n-    <member refid=\"tomorse_8cpp_1a49f9ac0e0b195dafac44f351d83be82c\" kind=\"function\">\n-      <name>read_dissociation_energies</name>\n-    </member>\n-    <member refid=\"tomorse_8cpp_1a91e540f22f3a8a313122518d3f3b7410\" kind=\"function\">\n-      <name>nequal</name>\n-    </member>\n-    <member refid=\"tomorse_8cpp_1aaa0ec48841102f0ed7c10d8f4cdf2d06\" kind=\"function\">\n-      <name>search_e_diss</name>\n-    </member>\n-    <member refid=\"tomorse_8cpp_1a2ce5bfd86cd943ae5baa72962c79585a\" kind=\"function\">\n-      <name>convert_harmonics</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tomorse_8h\" kind=\"file\">\n-    <name>tomorse.h</name>\n-    <member refid=\"tomorse_8h_1a2ce5bfd86cd943ae5baa72962c79585a\" kind=\"function\">\n-      <name>convert_harmonics</name>\n-    </member>\n-  </compound>\n   <compound refid=\"topdirs_8h\" kind=\"file\">\n     <name>topdirs.h</name>\n     <member refid=\"topdirs_8h_1a742010a2348e265ddaa0b9ee879abd94\" kind=\"enum\">\n       <name>Directive</name>\n     </member>\n     <member refid=\"topdirs_8h_1a742010a2348e265ddaa0b9ee879abd94a207894b5945342926a356d70c263bfe1\" kind=\"enumvalue\">\n       <name>d_defaults</name>\n@@ -91886,20 +91823,14 @@\n   </compound>\n   <compound refid=\"xlate_8h\" kind=\"file\">\n     <name>xlate.h</name>\n     <member refid=\"xlate_8h_1ab0587c1699a933ecd707912962bd383d\" kind=\"function\">\n       <name>rename_atoms</name>\n     </member>\n   </compound>\n-  <compound refid=\"clfftinitializer_8cpp\" kind=\"file\">\n-    <name>clfftinitializer.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2clfftinitializer_8cpp\" kind=\"file\">\n-    <name>clfftinitializer.cpp</name>\n-  </compound>\n   <compound refid=\"clfftinitializer_8h\" kind=\"file\">\n     <name>clfftinitializer.h</name>\n   </compound>\n   <compound refid=\"device__context_8cpp\" kind=\"file\">\n     <name>device_context.cpp</name>\n   </compound>\n   <compound refid=\"device__context_8h\" kind=\"file\">\n@@ -92462,14 +92393,20 @@\n     <member refid=\"hiputils_8h_1ad1dadd76cfc1bee0acf60da3805ba3e3\" kind=\"function\">\n       <name>prepareGpuKernelArguments</name>\n     </member>\n     <member refid=\"hiputils_8h_1a14cfed488c64f4701d9e4c0fcd15fa6d\" kind=\"function\">\n       <name>launchGpuKernel</name>\n     </member>\n   </compound>\n+  <compound refid=\"hostallocator_8cpp\" kind=\"file\">\n+    <name>hostallocator.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2hostallocator_8cpp\" kind=\"file\">\n+    <name>hostallocator.cpp</name>\n+  </compound>\n   <compound refid=\"hostallocator_8h\" kind=\"file\">\n     <name>hostallocator.h</name>\n   </compound>\n   <compound refid=\"nvshmem__utils_8cpp\" kind=\"file\">\n     <name>nvshmem_utils.cpp</name>\n   </compound>\n   <compound refid=\"nvshmem__utils_8h\" kind=\"file\">\n@@ -92606,14 +92543,20 @@\n     <member refid=\"sycl__kernel__utils_8h_1ad5c41522362d208f4976353ae328d202\" kind=\"function\">\n       <name>subGroupBarrier</name>\n     </member>\n   </compound>\n   <compound refid=\"syclutils_8h\" kind=\"file\">\n     <name>syclutils.h</name>\n   </compound>\n+  <compound refid=\"clfftinitializer_8cpp\" kind=\"file\">\n+    <name>clfftinitializer.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2clfftinitializer_8cpp\" kind=\"file\">\n+    <name>clfftinitializer.cpp</name>\n+  </compound>\n   <compound refid=\"device__availability_8cpp\" kind=\"file\">\n     <name>device_availability.cpp</name>\n   </compound>\n   <compound refid=\"device__buffer_8cpp\" kind=\"file\">\n     <name>device_buffer.cpp</name>\n   </compound>\n   <compound refid=\"device__stream__manager_8cpp\" kind=\"file\">\n@@ -92636,20 +92579,14 @@\n   </compound>\n   <compound refid=\"devicetransfers__sycl_8cpp\" kind=\"file\">\n     <name>devicetransfers_sycl.cpp</name>\n   </compound>\n   <compound refid=\"gpueventsynchronizer_8cpp\" kind=\"file\">\n     <name>gpueventsynchronizer.cpp</name>\n   </compound>\n-  <compound refid=\"hostallocator_8cpp\" kind=\"file\">\n-    <name>hostallocator.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2hostallocator_8cpp\" kind=\"file\">\n-    <name>hostallocator.cpp</name>\n-  </compound>\n   <compound refid=\"nvshmem__test_8cpp\" kind=\"file\">\n     <name>nvshmem_test.cpp</name>\n   </compound>\n   <compound refid=\"pinnedmemorychecker_8cpp\" kind=\"file\">\n     <name>pinnedmemorychecker.cpp</name>\n   </compound>\n   <compound refid=\"typecasts_8cpp\" kind=\"file\">\n@@ -93284,14 +93221,20 @@\n   </compound>\n   <compound refid=\"device__management__sycl__intel__device__ids_8h\" kind=\"file\">\n     <name>device_management_sycl_intel_device_ids.h</name>\n     <member refid=\"device__management__sycl__intel__device__ids_8h_1a2b3ad5e0a211828bfa87c5f9202897e3\" kind=\"function\">\n       <name>getIntelHardwareVersionFromPciExpressID</name>\n     </member>\n   </compound>\n+  <compound refid=\"hardwaretopology_8cpp\" kind=\"file\">\n+    <name>hardwaretopology.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2hardwaretopology_8cpp\" kind=\"file\">\n+    <name>hardwaretopology.cpp</name>\n+  </compound>\n   <compound refid=\"hardwaretopology_8h\" kind=\"file\">\n     <name>hardwaretopology.h</name>\n   </compound>\n   <compound refid=\"hw__info_8h\" kind=\"file\">\n     <name>hw_info.h</name>\n     <member refid=\"hw__info_8h_1afee8ef60917d00a72200cec9b191b413\" kind=\"enum\">\n       <name>ThreadAffinity</name>\n@@ -93374,20 +93317,14 @@\n     <member refid=\"device__management_8cpp_1ad352fc020badbd5b17621a35a002785f\" kind=\"function\">\n       <name>doubleCheckGpuAwareMpiWillWork</name>\n     </member>\n   </compound>\n   <compound refid=\"tests_2device__management_8cpp\" kind=\"file\">\n     <name>device_management.cpp</name>\n   </compound>\n-  <compound refid=\"hardwaretopology_8cpp\" kind=\"file\">\n-    <name>hardwaretopology.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2hardwaretopology_8cpp\" kind=\"file\">\n-    <name>hardwaretopology.cpp</name>\n-  </compound>\n   <compound refid=\"mockhardwaretopology_8cpp\" kind=\"file\">\n     <name>mockhardwaretopology.cpp</name>\n   </compound>\n   <compound refid=\"imd_8cpp\" kind=\"file\">\n     <name>imd.cpp</name>\n   </compound>\n   <compound refid=\"imd_8h\" kind=\"file\">\n@@ -93440,35 +93377,14 @@\n     <member refid=\"eigensolver_8h_1a6fb958ce44e4b49c41a3570b933f780b\" kind=\"function\">\n       <name>eigensolver</name>\n     </member>\n     <member refid=\"eigensolver_8h_1a422c179fa61a7c831067b68ba01b8a60\" kind=\"function\">\n       <name>sparse_eigensolver</name>\n     </member>\n   </compound>\n-  <compound refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h\" kind=\"file\">\n-    <name>matrix.h</name>\n-    <member refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h_1ac5f4dfe020d9a79c3306a3aab9ad95c2\" kind=\"function\">\n-      <name>alloc_matrix</name>\n-    </member>\n-    <member refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h_1a396c68ee4563c130a29485fafe1bb42c\" kind=\"function\">\n-      <name>free_matrix</name>\n-    </member>\n-    <member refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h_1a74da0358210d11c2e1d4b7e1f88ef2f4\" kind=\"function\">\n-      <name>matrix_multiply</name>\n-    </member>\n-    <member refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h_1abcb389e19d7cf19cf151c6cfb9c5074b\" kind=\"function\">\n-      <name>matrix_invert</name>\n-    </member>\n-    <member refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h_1ab6ebed212c8418413b65a6a87aef00ee\" kind=\"function\">\n-      <name>multi_regression</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"math_2include_2gromacs_2math_2matrix_8h\" kind=\"file\">\n-    <name>matrix.h</name>\n-  </compound>\n   <compound refid=\"sparsematrix_8h\" kind=\"file\">\n     <name>sparsematrix.h</name>\n     <member refid=\"sparsematrix_8h_1a2b51ea3dfb3cb75e18905650176bf439\" kind=\"typedef\">\n       <name>gmx_sparsematrix_entry_t</name>\n     </member>\n     <member refid=\"sparsematrix_8h_1a850035e6887dc8390d16e2cee04b71f8\" kind=\"typedef\">\n       <name>gmx_sparsematrix_t</name>\n@@ -93491,44 +93407,14 @@\n     <member refid=\"sparsematrix_8h_1ac3c58041a48f0f821ef71da0d6fbe0fd\" kind=\"function\">\n       <name>gmx_sparsematrix_compress</name>\n     </member>\n     <member refid=\"sparsematrix_8h_1ab40559ebd7a3776e2eee14084687b406\" kind=\"function\">\n       <name>gmx_sparsematrix_vector_multiply</name>\n     </member>\n   </compound>\n-  <compound refid=\"linearalgebra_2matrix_8cpp\" kind=\"file\">\n-    <name>matrix.cpp</name>\n-    <member refid=\"linearalgebra_2matrix_8cpp_1acf3c0b0cb652c237d43ce39b2d3815a4\" kind=\"define\">\n-      <name>DEBUG_MATRIX</name>\n-    </member>\n-    <member refid=\"linearalgebra_2matrix_8cpp_1ac5f4dfe020d9a79c3306a3aab9ad95c2\" kind=\"function\">\n-      <name>alloc_matrix</name>\n-    </member>\n-    <member refid=\"linearalgebra_2matrix_8cpp_1a396c68ee4563c130a29485fafe1bb42c\" kind=\"function\">\n-      <name>free_matrix</name>\n-    </member>\n-    <member refid=\"linearalgebra_2matrix_8cpp_1a74da0358210d11c2e1d4b7e1f88ef2f4\" kind=\"function\">\n-      <name>matrix_multiply</name>\n-    </member>\n-    <member refid=\"linearalgebra_2matrix_8cpp_1a1537e55d2073c16c94b3f3447916946d\" kind=\"function\">\n-      <name>dump_matrix</name>\n-    </member>\n-    <member refid=\"linearalgebra_2matrix_8cpp_1abcb389e19d7cf19cf151c6cfb9c5074b\" kind=\"function\">\n-      <name>matrix_invert</name>\n-    </member>\n-    <member refid=\"linearalgebra_2matrix_8cpp_1a19fead8409a29e230a379a06a6f39d7b\" kind=\"function\">\n-      <name>multi_regression</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"math_2matrix_8cpp\" kind=\"file\">\n-    <name>matrix.cpp</name>\n-  </compound>\n-  <compound refid=\"math_2tests_2matrix_8cpp\" kind=\"file\">\n-    <name>matrix.cpp</name>\n-  </compound>\n   <compound refid=\"sparsematrix_8cpp\" kind=\"file\">\n     <name>sparsematrix.cpp</name>\n     <member refid=\"sparsematrix_8cpp_1a3ccbcc8935483acb69e404bc01398004\" kind=\"function\">\n       <name>gmx_sparsematrix_init</name>\n     </member>\n     <member refid=\"sparsematrix_8cpp_1ae1265238816409b751cd8b7b27068e48\" kind=\"function\">\n       <name>gmx_sparsematrix_destroy</name>\n@@ -93548,14 +93434,32 @@\n     <member refid=\"sparsematrix_8cpp_1ac3c58041a48f0f821ef71da0d6fbe0fd\" kind=\"function\">\n       <name>gmx_sparsematrix_compress</name>\n     </member>\n     <member refid=\"sparsematrix_8cpp_1ab40559ebd7a3776e2eee14084687b406\" kind=\"function\">\n       <name>gmx_sparsematrix_vector_multiply</name>\n     </member>\n   </compound>\n+  <compound refid=\"bonded_8cpp\" kind=\"file\">\n+    <name>bonded.cpp</name>\n+    <member refid=\"bonded_8cpp_1a59c50b0351a0f40c27aa54bfc04e67b9\" kind=\"variable\">\n+      <name>c_bondedKernelFlavorStrings</name>\n+    </member>\n+    <member refid=\"bonded_8cpp_1aa5ccd16bc6fca5281ec8404a2fb64037\" kind=\"function\">\n+      <name>cmap_dihs</name>\n+    </member>\n+    <member refid=\"bonded_8cpp_1a9dd5d165287b999df56836834132ab9b\" kind=\"function\">\n+      <name>calculateSimpleBond</name>\n+    </member>\n+    <member refid=\"bonded_8cpp_1abd8025bf61c1e8168c1b7c1505431cb9\" kind=\"function\">\n+      <name>nrnbIndex</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2bonded_8cpp\" kind=\"file\">\n+    <name>bonded.cpp</name>\n+  </compound>\n   <compound refid=\"bonded_8h\" kind=\"file\">\n     <name>bonded.h</name>\n     <member refid=\"bonded_8h_1aacdbef16553b9b562a9a05e7b8c135f1\" kind=\"enum\">\n       <name>BondedKernelFlavor</name>\n     </member>\n     <member refid=\"bonded_8h_1aacdbef16553b9b562a9a05e7b8c135f1a5fc0f529c3ea0688814b93b143afe101\" kind=\"enumvalue\">\n       <name>ForcesSimdWhenAvailable</name>\n@@ -93782,14 +93686,41 @@\n     <member refid=\"orires_8h_1a558c2a0b81d1976025f8f0efd51af375\" kind=\"function\">\n       <name>print_orires_log</name>\n     </member>\n     <member refid=\"orires_8h_1ae3c8481da82a990b246b4ad54441b52f\" kind=\"function\">\n       <name>orires</name>\n     </member>\n   </compound>\n+  <compound refid=\"pairs_8cpp\" kind=\"file\">\n+    <name>pairs.cpp</name>\n+    <member refid=\"pairs_8cpp_1a5d59a72498eb3a8759f974daa06fe37b\" kind=\"function\">\n+      <name>warning_rlimit</name>\n+    </member>\n+    <member refid=\"pairs_8cpp_1a53338e7f9d3499aabdf8f25c6af5f238\" kind=\"function\">\n+      <name>evaluate_single</name>\n+    </member>\n+    <member refid=\"pairs_8cpp_1a704d0afde3f20144d8996c787fe86420\" kind=\"function\">\n+      <name>sixthRoot</name>\n+    </member>\n+    <member refid=\"pairs_8cpp_1ae1ff92c6c49709262e401f3498499f2d\" kind=\"function\">\n+      <name>free_energy_evaluate_single</name>\n+    </member>\n+    <member refid=\"pairs_8cpp_1a593986c41a792f43a51528646a52f7af\" kind=\"function\">\n+      <name>do_pairs_general</name>\n+    </member>\n+    <member refid=\"pairs_8cpp_1addf0ef957e30aea59c4c50608f224e00\" kind=\"function\">\n+      <name>do_pairs_simple</name>\n+    </member>\n+    <member refid=\"pairs_8cpp_1a22308eced2305dcd0b36750636c6e8f6\" kind=\"function\">\n+      <name>do_pairs</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2pairs_8cpp\" kind=\"file\">\n+    <name>pairs.cpp</name>\n+  </compound>\n   <compound refid=\"pairs_8h\" kind=\"file\">\n     <name>pairs.h</name>\n     <member refid=\"pairs_8h_1ace5a086b59154b99c7d2f5c4c91a4117\" kind=\"function\">\n       <name>do_pairs</name>\n     </member>\n   </compound>\n   <compound refid=\"position__restraints_8h\" kind=\"file\">\n@@ -93824,73 +93755,73 @@\n     <member refid=\"restcbt_8h_1ae1ede5f31d34b57fc752545a08939c37\" kind=\"function\">\n       <name>compute_factors_restrdihs</name>\n     </member>\n     <member refid=\"restcbt_8h_1a96465d7ce23b11c49d9ae466eb68b179\" kind=\"function\">\n       <name>compute_factors_cbtdihs</name>\n     </member>\n   </compound>\n-  <compound refid=\"bonded_8cpp\" kind=\"file\">\n-    <name>bonded.cpp</name>\n-    <member refid=\"bonded_8cpp_1a59c50b0351a0f40c27aa54bfc04e67b9\" kind=\"variable\">\n-      <name>c_bondedKernelFlavorStrings</name>\n-    </member>\n-    <member refid=\"bonded_8cpp_1aa5ccd16bc6fca5281ec8404a2fb64037\" kind=\"function\">\n-      <name>cmap_dihs</name>\n+  <compound refid=\"position__restraints_8cpp\" kind=\"file\">\n+    <name>position_restraints.cpp</name>\n+    <member refid=\"position__restraints_8cpp_1a1c4990a93b04b1744b635492a3be9c22\" kind=\"function\">\n+      <name>posres_wrapper</name>\n     </member>\n-    <member refid=\"bonded_8cpp_1a9dd5d165287b999df56836834132ab9b\" kind=\"function\">\n-      <name>calculateSimpleBond</name>\n+    <member refid=\"position__restraints_8cpp_1a4e01c646def2d038cc374a83bf721751\" kind=\"function\">\n+      <name>posres_wrapper_lambda</name>\n     </member>\n-    <member refid=\"bonded_8cpp_1abd8025bf61c1e8168c1b7c1505431cb9\" kind=\"function\">\n-      <name>nrnbIndex</name>\n+    <member refid=\"position__restraints_8cpp_1a49ca1c053c4bd609b84cc739e9df0bfa\" kind=\"function\">\n+      <name>fbposres_wrapper</name>\n     </member>\n   </compound>\n-  <compound refid=\"tests_2bonded_8cpp\" kind=\"file\">\n-    <name>bonded.cpp</name>\n+  <compound refid=\"tests_2position__restraints_8cpp\" kind=\"file\">\n+    <name>position_restraints.cpp</name>\n   </compound>\n-  <compound refid=\"pairs_8cpp\" kind=\"file\">\n-    <name>pairs.cpp</name>\n-    <member refid=\"pairs_8cpp_1a5d59a72498eb3a8759f974daa06fe37b\" kind=\"function\">\n-      <name>warning_rlimit</name>\n+  <compound refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h\" kind=\"file\">\n+    <name>utilities.h</name>\n+    <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a1ec29a11264be6ff399bb9409b7e6e69\" kind=\"enum\">\n+      <name>MathOptimization</name>\n     </member>\n-    <member refid=\"pairs_8cpp_1a53338e7f9d3499aabdf8f25c6af5f238\" kind=\"function\">\n-      <name>evaluate_single</name>\n+    <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a1ec29a11264be6ff399bb9409b7e6e69ac6eea0560cd6f377e78dff2c85cc9122\" kind=\"enumvalue\">\n+      <name>Safe</name>\n     </member>\n-    <member refid=\"pairs_8cpp_1a704d0afde3f20144d8996c787fe86420\" kind=\"function\">\n-      <name>sixthRoot</name>\n+    <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a1ec29a11264be6ff399bb9409b7e6e69ad3d57868b6ff9839eff631d2cc8acbce\" kind=\"enumvalue\">\n+      <name>Unsafe</name>\n     </member>\n-    <member refid=\"pairs_8cpp_1ae1ff92c6c49709262e401f3498499f2d\" kind=\"function\">\n-      <name>free_energy_evaluate_single</name>\n+    <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a7afe8845680ffc6114c5c9e2ad8b2b2f\" kind=\"function\">\n+      <name>gmx_within_tol</name>\n     </member>\n-    <member refid=\"pairs_8cpp_1a593986c41a792f43a51528646a52f7af\" kind=\"function\">\n-      <name>do_pairs_general</name>\n+    <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a9273cc4767e2ed010fa467146b4dae1b\" kind=\"function\">\n+      <name>gmx_numzero</name>\n     </member>\n-    <member refid=\"pairs_8cpp_1addf0ef957e30aea59c4c50608f224e00\" kind=\"function\">\n-      <name>do_pairs_simple</name>\n+    <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a9725aef965535877de71f30fb100ebb1\" kind=\"function\">\n+      <name>check_int_multiply_for_overflow</name>\n     </member>\n-    <member refid=\"pairs_8cpp_1a22308eced2305dcd0b36750636c6e8f6\" kind=\"function\">\n-      <name>do_pairs</name>\n+    <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1af6675d24ca9e67e919812680ee2d0ea9\" kind=\"function\">\n+      <name>gmx_feenableexcept</name>\n     </member>\n-  </compound>\n-  <compound refid=\"tests_2pairs_8cpp\" kind=\"file\">\n-    <name>pairs.cpp</name>\n-  </compound>\n-  <compound refid=\"position__restraints_8cpp\" kind=\"file\">\n-    <name>position_restraints.cpp</name>\n-    <member refid=\"position__restraints_8cpp_1a1c4990a93b04b1744b635492a3be9c22\" kind=\"function\">\n-      <name>posres_wrapper</name>\n+    <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a193723fbd35bf265e210c8bff4228412\" kind=\"function\">\n+      <name>gmx_fedisableexcept</name>\n     </member>\n-    <member refid=\"position__restraints_8cpp_1a4e01c646def2d038cc374a83bf721751\" kind=\"function\">\n-      <name>posres_wrapper_lambda</name>\n+    <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1aedcd399b089c89c5859f3f1aaadfd8cd\" kind=\"function\">\n+      <name>gmxShouldEnableFPExceptions</name>\n     </member>\n-    <member refid=\"position__restraints_8cpp_1a49ca1c053c4bd609b84cc739e9df0bfa\" kind=\"function\">\n-      <name>fbposres_wrapper</name>\n+  </compound>\n+  <compound refid=\"src_2gromacs_2listed__forces_2utilities_8h\" kind=\"file\">\n+    <name>utilities.h</name>\n+    <member refid=\"src_2gromacs_2listed__forces_2utilities_8h_1aba08e75fc4e249fb9ee806cf08781ff5\" kind=\"function\">\n+      <name>ftypeIsListedPotential</name>\n+    </member>\n+    <member refid=\"src_2gromacs_2listed__forces_2utilities_8h_1a02435a07d79c82f6d260d8a2dcc82b90\" kind=\"function\">\n+      <name>ftype_is_bonded_potential</name>\n     </member>\n   </compound>\n-  <compound refid=\"tests_2position__restraints_8cpp\" kind=\"file\">\n-    <name>position_restraints.cpp</name>\n+  <compound refid=\"src_2gromacs_2mimic_2utilities_8h\" kind=\"file\">\n+    <name>utilities.h</name>\n+    <member refid=\"src_2gromacs_2mimic_2utilities_8h_1ac8c92f4d2b6d6276c25ae95682de13aa\" kind=\"function\">\n+      <name>genQmmmIndices</name>\n+    </member>\n   </compound>\n   <compound refid=\"3dtransforms_8cpp\" kind=\"file\">\n     <name>3dtransforms.cpp</name>\n     <member refid=\"3dtransforms_8cpp_1a0240ac851181b84ac374872dc5434ee4\" kind=\"define\">\n       <name>N</name>\n     </member>\n     <member refid=\"3dtransforms_8cpp_1aba548083baf78d5645b0f083def8658c\" kind=\"function\">\n@@ -93953,19 +93884,25 @@\n     <member refid=\"do__fit_8cpp_1a8b81550df594bffb9e3e65cf604c9267\" kind=\"function\">\n       <name>reset_x_ndim</name>\n     </member>\n     <member refid=\"do__fit_8cpp_1a93bccc9720b471d0a9cd62ed72a970ac\" kind=\"function\">\n       <name>reset_x</name>\n     </member>\n   </compound>\n-  <compound refid=\"gausstransform_8cpp\" kind=\"file\">\n-    <name>gausstransform.cpp</name>\n+  <compound refid=\"exponentialmovingaverage_8cpp\" kind=\"file\">\n+    <name>exponentialmovingaverage.cpp</name>\n   </compound>\n-  <compound refid=\"tests_2gausstransform_8cpp\" kind=\"file\">\n-    <name>gausstransform.cpp</name>\n+  <compound refid=\"tests_2exponentialmovingaverage_8cpp\" kind=\"file\">\n+    <name>exponentialmovingaverage.cpp</name>\n+  </compound>\n+  <compound refid=\"functions_8cpp\" kind=\"file\">\n+    <name>functions.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2functions_8cpp\" kind=\"file\">\n+    <name>functions.cpp</name>\n   </compound>\n   <compound refid=\"3dtransforms_8h\" kind=\"file\">\n     <name>3dtransforms.h</name>\n     <member refid=\"3dtransforms_8h_1a7cd92fc1ac4aeb2dc1d8e50bf61e661e\" kind=\"define\">\n       <name>WW</name>\n     </member>\n     <member refid=\"3dtransforms_8h_1a6a41fa5ed8bfdf8468a9554d6b1f450c\" kind=\"typedef\">\n@@ -94052,14 +93989,35 @@\n     <member refid=\"gmxcomplex_8h_1ad8d5bc18b3599b394fa4d69c92268ff6\" kind=\"function\">\n       <name>operator!=</name>\n     </member>\n   </compound>\n   <compound refid=\"invertmatrix_8h\" kind=\"file\">\n     <name>invertmatrix.h</name>\n   </compound>\n+  <compound refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h\" kind=\"file\">\n+    <name>matrix.h</name>\n+    <member refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h_1ac5f4dfe020d9a79c3306a3aab9ad95c2\" kind=\"function\">\n+      <name>alloc_matrix</name>\n+    </member>\n+    <member refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h_1a396c68ee4563c130a29485fafe1bb42c\" kind=\"function\">\n+      <name>free_matrix</name>\n+    </member>\n+    <member refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h_1a74da0358210d11c2e1d4b7e1f88ef2f4\" kind=\"function\">\n+      <name>matrix_multiply</name>\n+    </member>\n+    <member refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h_1abcb389e19d7cf19cf151c6cfb9c5074b\" kind=\"function\">\n+      <name>matrix_invert</name>\n+    </member>\n+    <member refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h_1ab6ebed212c8418413b65a6a87aef00ee\" kind=\"function\">\n+      <name>multi_regression</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"math_2include_2gromacs_2math_2matrix_8h\" kind=\"file\">\n+    <name>matrix.h</name>\n+  </compound>\n   <compound refid=\"multidimarray_8h\" kind=\"file\">\n     <name>multidimarray.h</name>\n   </compound>\n   <compound refid=\"neldermead_8h\" kind=\"file\">\n     <name>neldermead.h</name>\n   </compound>\n   <compound refid=\"nrjac_8h\" kind=\"file\">\n@@ -94118,14 +94076,20 @@\n     <member refid=\"vecdump_8h_1a6d924c37256aba65e5067df0647d6a65\" kind=\"function\">\n       <name>pr_rvecs</name>\n     </member>\n     <member refid=\"vecdump_8h_1a59dda941f52b146e8fd6aee4a7560d25\" kind=\"function\">\n       <name>prRVecs</name>\n     </member>\n   </compound>\n+  <compound refid=\"neldermead_8cpp\" kind=\"file\">\n+    <name>neldermead.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2neldermead_8cpp\" kind=\"file\">\n+    <name>neldermead.cpp</name>\n+  </compound>\n   <compound refid=\"nrjac_8cpp\" kind=\"file\">\n     <name>nrjac.cpp</name>\n     <member refid=\"nrjac_8cpp_1a6d6cb647c2567a5697787f3220473eb1\" kind=\"function\">\n       <name>do_rotate</name>\n     </member>\n     <member refid=\"nrjac_8cpp_1ae0b8142935e3a21104a6a44011de071b\" kind=\"function\">\n       <name>jacobi</name>\n@@ -94136,14 +94100,20 @@\n     <member refid=\"nrjac_8cpp_1a7df4ca6b4e4db74c4e58711242677763\" kind=\"function\">\n       <name>jacobi</name>\n     </member>\n     <member refid=\"nrjac_8cpp_1a1e3a4070205deab90fbe44bdc6e741b6\" kind=\"function\">\n       <name>m_inv_gen</name>\n     </member>\n   </compound>\n+  <compound refid=\"optimization_8cpp\" kind=\"file\">\n+    <name>optimization.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2optimization_8cpp\" kind=\"file\">\n+    <name>optimization.cpp</name>\n+  </compound>\n   <compound refid=\"arrayrefwithpadding_8cpp\" kind=\"file\">\n     <name>arrayrefwithpadding.cpp</name>\n   </compound>\n   <compound refid=\"boxmatrix_8cpp\" kind=\"file\">\n     <name>boxmatrix.cpp</name>\n   </compound>\n   <compound refid=\"complex_8cpp\" kind=\"file\">\n@@ -94160,56 +94130,95 @@\n   </compound>\n   <compound refid=\"tests_2densityfit_8cpp\" kind=\"file\">\n     <name>densityfit.cpp</name>\n   </compound>\n   <compound refid=\"dofit_8cpp\" kind=\"file\">\n     <name>dofit.cpp</name>\n   </compound>\n-  <compound refid=\"exponentialmovingaverage_8cpp\" kind=\"file\">\n-    <name>exponentialmovingaverage.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2exponentialmovingaverage_8cpp\" kind=\"file\">\n-    <name>exponentialmovingaverage.cpp</name>\n-  </compound>\n-  <compound refid=\"functions_8cpp\" kind=\"file\">\n-    <name>functions.cpp</name>\n+  <compound refid=\"gausstransform_8cpp\" kind=\"file\">\n+    <name>gausstransform.cpp</name>\n   </compound>\n-  <compound refid=\"tests_2functions_8cpp\" kind=\"file\">\n-    <name>functions.cpp</name>\n+  <compound refid=\"tests_2gausstransform_8cpp\" kind=\"file\">\n+    <name>gausstransform.cpp</name>\n   </compound>\n   <compound refid=\"invertmatrix_8cpp\" kind=\"file\">\n     <name>invertmatrix.cpp</name>\n   </compound>\n   <compound refid=\"tests_2invertmatrix_8cpp\" kind=\"file\">\n     <name>invertmatrix.cpp</name>\n   </compound>\n-  <compound refid=\"multidimarray_8cpp\" kind=\"file\">\n-    <name>multidimarray.cpp</name>\n-  </compound>\n-  <compound refid=\"neldermead_8cpp\" kind=\"file\">\n-    <name>neldermead.cpp</name>\n+  <compound refid=\"linearalgebra_2matrix_8cpp\" kind=\"file\">\n+    <name>matrix.cpp</name>\n+    <member refid=\"linearalgebra_2matrix_8cpp_1acf3c0b0cb652c237d43ce39b2d3815a4\" kind=\"define\">\n+      <name>DEBUG_MATRIX</name>\n+    </member>\n+    <member refid=\"linearalgebra_2matrix_8cpp_1ac5f4dfe020d9a79c3306a3aab9ad95c2\" kind=\"function\">\n+      <name>alloc_matrix</name>\n+    </member>\n+    <member refid=\"linearalgebra_2matrix_8cpp_1a396c68ee4563c130a29485fafe1bb42c\" kind=\"function\">\n+      <name>free_matrix</name>\n+    </member>\n+    <member refid=\"linearalgebra_2matrix_8cpp_1a74da0358210d11c2e1d4b7e1f88ef2f4\" kind=\"function\">\n+      <name>matrix_multiply</name>\n+    </member>\n+    <member refid=\"linearalgebra_2matrix_8cpp_1a1537e55d2073c16c94b3f3447916946d\" kind=\"function\">\n+      <name>dump_matrix</name>\n+    </member>\n+    <member refid=\"linearalgebra_2matrix_8cpp_1abcb389e19d7cf19cf151c6cfb9c5074b\" kind=\"function\">\n+      <name>matrix_invert</name>\n+    </member>\n+    <member refid=\"linearalgebra_2matrix_8cpp_1a19fead8409a29e230a379a06a6f39d7b\" kind=\"function\">\n+      <name>multi_regression</name>\n+    </member>\n   </compound>\n-  <compound refid=\"tests_2neldermead_8cpp\" kind=\"file\">\n-    <name>neldermead.cpp</name>\n+  <compound refid=\"math_2matrix_8cpp\" kind=\"file\">\n+    <name>matrix.cpp</name>\n   </compound>\n-  <compound refid=\"optimization_8cpp\" kind=\"file\">\n-    <name>optimization.cpp</name>\n+  <compound refid=\"math_2tests_2matrix_8cpp\" kind=\"file\">\n+    <name>matrix.cpp</name>\n   </compound>\n-  <compound refid=\"tests_2optimization_8cpp\" kind=\"file\">\n-    <name>optimization.cpp</name>\n+  <compound refid=\"multidimarray_8cpp\" kind=\"file\">\n+    <name>multidimarray.cpp</name>\n   </compound>\n   <compound refid=\"paddedvector_8cpp\" kind=\"file\">\n     <name>paddedvector.cpp</name>\n   </compound>\n   <compound refid=\"testarrayrefs_8h\" kind=\"file\">\n     <name>testarrayrefs.h</name>\n   </compound>\n   <compound refid=\"vectypes_8cpp\" kind=\"file\">\n     <name>vectypes.cpp</name>\n   </compound>\n+  <compound refid=\"math_2utilities_8cpp\" kind=\"file\">\n+    <name>utilities.cpp</name>\n+    <member refid=\"math_2utilities_8cpp_1a7afe8845680ffc6114c5c9e2ad8b2b2f\" kind=\"function\">\n+      <name>gmx_within_tol</name>\n+    </member>\n+    <member refid=\"math_2utilities_8cpp_1a9273cc4767e2ed010fa467146b4dae1b\" kind=\"function\">\n+      <name>gmx_numzero</name>\n+    </member>\n+    <member refid=\"math_2utilities_8cpp_1a9725aef965535877de71f30fb100ebb1\" kind=\"function\">\n+      <name>check_int_multiply_for_overflow</name>\n+    </member>\n+    <member refid=\"math_2utilities_8cpp_1af6675d24ca9e67e919812680ee2d0ea9\" kind=\"function\">\n+      <name>gmx_feenableexcept</name>\n+    </member>\n+    <member refid=\"math_2utilities_8cpp_1a193723fbd35bf265e210c8bff4228412\" kind=\"function\">\n+      <name>gmx_fedisableexcept</name>\n+    </member>\n+    <member refid=\"math_2utilities_8cpp_1aedcd399b089c89c5859f3f1aaadfd8cd\" kind=\"function\">\n+      <name>gmxShouldEnableFPExceptions</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"mimic_2utilities_8cpp\" kind=\"file\">\n+    <name>utilities.cpp</name>\n+    <member refid=\"mimic_2utilities_8cpp_1ac8c92f4d2b6d6276c25ae95682de13aa\" kind=\"function\">\n+      <name>genQmmmIndices</name>\n+    </member>\n+  </compound>\n   <compound refid=\"veccompare_8cpp\" kind=\"file\">\n     <name>veccompare.cpp</name>\n     <member refid=\"veccompare_8cpp_1ae27124dcd6fe8e6cc479ae0ab2644aa5\" kind=\"function\">\n       <name>cmp_rvec</name>\n     </member>\n     <member refid=\"veccompare_8cpp_1a71e1fe8691ac0a2699056945920ad5c8\" kind=\"function\">\n       <name>cmp_ivec</name>\n@@ -94487,14 +94496,23 @@\n   </compound>\n   <compound refid=\"compute__io_8h\" kind=\"file\">\n     <name>compute_io.h</name>\n     <member refid=\"compute__io_8h_1ac44fb3c3a9f9bf8afe999a07ce96744a\" kind=\"function\">\n       <name>compute_io</name>\n     </member>\n   </compound>\n+  <compound refid=\"constr_8cpp\" kind=\"file\">\n+    <name>constr.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2constr_8cpp\" kind=\"file\">\n+    <name>constr.cpp</name>\n+    <member refid=\"tests_2constr_8cpp_1ad8707751bcf9b7561997be4d4509f919\" kind=\"function\">\n+      <name>PrintTo</name>\n+    </member>\n+  </compound>\n   <compound refid=\"constr_8h\" kind=\"file\">\n     <name>constr.h</name>\n   </compound>\n   <compound refid=\"constraint__gpu__helpers_8cpp\" kind=\"file\">\n     <name>constraint_gpu_helpers.cpp</name>\n     <member refid=\"constraint__gpu__helpers_8cpp_1ad81de0160dc66d3d39e30ca9a97d6978\" kind=\"function\">\n       <name>countCoupled</name>\n@@ -94865,14 +94883,20 @@\n     <member refid=\"enerdata__utils_8h_1ad0e7876c7fe21f32738a4d4b0674428f\" kind=\"function\">\n       <name>accumulatePotentialEnergies</name>\n     </member>\n     <member refid=\"enerdata__utils_8h_1a0ef9689c928727407b033c5ae1a1eea1\" kind=\"function\">\n       <name>accumulateKineticLambdaComponents</name>\n     </member>\n   </compound>\n+  <compound refid=\"energydrifttracker_8cpp\" kind=\"file\">\n+    <name>energydrifttracker.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2energydrifttracker_8cpp\" kind=\"file\">\n+    <name>energydrifttracker.cpp</name>\n+  </compound>\n   <compound refid=\"energydrifttracker_8h\" kind=\"file\">\n     <name>energydrifttracker.h</name>\n   </compound>\n   <compound refid=\"energyoutput_8h\" kind=\"file\">\n     <name>energyoutput.h</name>\n     <member refid=\"energyoutput_8h_1a394b3903fbf00ba2b6243f60689a5a5f\" kind=\"enum\">\n       <name/>\n@@ -95027,14 +95051,56 @@\n     <member refid=\"forcerec_8cpp_1a002be99447184e86bd915e64b04990eb\" kind=\"function\">\n       <name>cutoff_inf</name>\n     </member>\n     <member refid=\"forcerec_8cpp_1a09ac98a471c08df1d4924dd3badb8fb4\" kind=\"function\">\n       <name>init_forcerec</name>\n     </member>\n   </compound>\n+  <compound refid=\"mdlib_2forcerec_8h\" kind=\"file\">\n+    <name>forcerec.h</name>\n+    <member refid=\"mdlib_2forcerec_8h_1ad574743856f12c6c61adac4638616557\" kind=\"function\">\n+      <name>makeNonBondedParameterLists</name>\n+    </member>\n+    <member refid=\"mdlib_2forcerec_8h_1adda2d38d66ca97ecf4b9a30da8430055\" kind=\"function\">\n+      <name>makeLJPmeC6GridCorrectionParameters</name>\n+    </member>\n+    <member refid=\"mdlib_2forcerec_8h_1a1e7606eaffdcf505126926cfe52933de\" kind=\"function\">\n+      <name>forcerec_set_ranges</name>\n+    </member>\n+    <member refid=\"mdlib_2forcerec_8h_1a2d02f546d7c44d487ce3fc6829d0bf1d\" kind=\"function\">\n+      <name>init_interaction_const_tables</name>\n+    </member>\n+    <member refid=\"mdlib_2forcerec_8h_1a09ac98a471c08df1d4924dd3badb8fb4\" kind=\"function\">\n+      <name>init_forcerec</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"mdtypes_2forcerec_8h\" kind=\"file\">\n+    <name>forcerec.h</name>\n+    <member refid=\"mdtypes_2forcerec_8h_1ae4d0152c2412406295210b2b6633a004\" kind=\"define\">\n+      <name>GMX_CUTOFF_INF</name>\n+    </member>\n+    <member refid=\"mdtypes_2forcerec_8h_1a5063d5dcccfb8867ca5de35a52493304\" kind=\"define\">\n+      <name>C6</name>\n+    </member>\n+    <member refid=\"mdtypes_2forcerec_8h_1ae635fdf2791c00da8444ec339f789e23\" kind=\"define\">\n+      <name>C12</name>\n+    </member>\n+    <member refid=\"mdtypes_2forcerec_8h_1adf04f95ffc1466411b3ce28490b26aea\" kind=\"define\">\n+      <name>BHAMC</name>\n+    </member>\n+    <member refid=\"mdtypes_2forcerec_8h_1a918ce62f3b1ff5871fc8e1c319113861\" kind=\"define\">\n+      <name>BHAMA</name>\n+    </member>\n+    <member refid=\"mdtypes_2forcerec_8h_1a4d2d7382889f102ba1d95a1682f75743\" kind=\"define\">\n+      <name>BHAMB</name>\n+    </member>\n+    <member refid=\"mdtypes_2forcerec_8h_1a002be99447184e86bd915e64b04990eb\" kind=\"function\">\n+      <name>cutoff_inf</name>\n+    </member>\n+  </compound>\n   <compound refid=\"freeenergyparameters_8h\" kind=\"file\">\n     <name>freeenergyparameters.h</name>\n   </compound>\n   <compound refid=\"gmx__omp__nthreads_8cpp\" kind=\"file\">\n     <name>gmx_omp_nthreads.cpp</name>\n     <member refid=\"gmx__omp__nthreads_8cpp_1a50e637fc24b5b017d7a0bff2128cfad4\" kind=\"variable\">\n       <name>modth</name>\n@@ -95747,14 +95813,20 @@\n   </compound>\n   <compound refid=\"rf__util_8h\" kind=\"file\">\n     <name>rf_util.h</name>\n     <member refid=\"rf__util_8h_1a7e4d9d918fa6980395ed408489a9134c\" kind=\"function\">\n       <name>calc_rffac</name>\n     </member>\n   </compound>\n+  <compound refid=\"settle_8cpp\" kind=\"file\">\n+    <name>settle.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2settle_8cpp\" kind=\"file\">\n+    <name>settle.cpp</name>\n+  </compound>\n   <compound refid=\"settle_8h\" kind=\"file\">\n     <name>settle.h</name>\n   </compound>\n   <compound refid=\"settle__gpu_8cpp\" kind=\"file\">\n     <name>settle_gpu.cpp</name>\n   </compound>\n   <compound refid=\"settle__gpu_8h\" kind=\"file\">\n@@ -95858,14 +95930,20 @@\n     <member refid=\"sighandler_8h_1a77714e984d3331ceb727f5f223e167c7\" kind=\"function\">\n       <name>gmx_got_usr_signal</name>\n     </member>\n   </compound>\n   <compound refid=\"sim__util_8cpp\" kind=\"file\">\n     <name>sim_util.cpp</name>\n   </compound>\n+  <compound refid=\"simulationsignal_8cpp\" kind=\"file\">\n+    <name>simulationsignal.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2simulationsignal_8cpp\" kind=\"file\">\n+    <name>simulationsignal.cpp</name>\n+  </compound>\n   <compound refid=\"simulationsignal_8h\" kind=\"file\">\n     <name>simulationsignal.h</name>\n     <member refid=\"simulationsignal_8h_1ac205be2172292384dd687b5471a87edd\" kind=\"enum\">\n       <name/>\n     </member>\n     <member refid=\"simulationsignal_8h_1ac205be2172292384dd687b5471a87edda2b560dbe482d7ef602dcd47af059aae0\" kind=\"enumvalue\">\n       <name>eglsCHKPT</name>\n@@ -95963,23 +96041,14 @@\n     <member refid=\"calcvir_8cpp_1ac0519370169f766a690921574527e1f8\" kind=\"function\">\n       <name>f_calc_vir</name>\n     </member>\n   </compound>\n   <compound refid=\"tests_2calcvir_8cpp\" kind=\"file\">\n     <name>calcvir.cpp</name>\n   </compound>\n-  <compound refid=\"constr_8cpp\" kind=\"file\">\n-    <name>constr.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2constr_8cpp\" kind=\"file\">\n-    <name>constr.cpp</name>\n-    <member refid=\"tests_2constr_8cpp_1ad8707751bcf9b7561997be4d4509f919\" kind=\"function\">\n-      <name>PrintTo</name>\n-    </member>\n-  </compound>\n   <compound refid=\"constrtestdata_8cpp\" kind=\"file\">\n     <name>constrtestdata.cpp</name>\n   </compound>\n   <compound refid=\"constrtestdata_8h\" kind=\"file\">\n     <name>constrtestdata.h</name>\n   </compound>\n   <compound refid=\"constrtestrunners_8cpp\" kind=\"file\">\n@@ -96020,20 +96089,14 @@\n     <member refid=\"ebin_8cpp_1a0e53b24a8f43d4ca9afcee637a2bf66a\" kind=\"function\">\n       <name>pr_ebin</name>\n     </member>\n   </compound>\n   <compound refid=\"tests_2ebin_8cpp\" kind=\"file\">\n     <name>ebin.cpp</name>\n   </compound>\n-  <compound refid=\"energydrifttracker_8cpp\" kind=\"file\">\n-    <name>energydrifttracker.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2energydrifttracker_8cpp\" kind=\"file\">\n-    <name>energydrifttracker.cpp</name>\n-  </compound>\n   <compound refid=\"energyoutput_8cpp\" kind=\"file\">\n     <name>energyoutput.cpp</name>\n     <member refid=\"energyoutput_8cpp_1ae702283029010214686db86ebefd064f\" kind=\"variable\">\n       <name>conrmsd_nm</name>\n     </member>\n     <member refid=\"energyoutput_8cpp_1af9a5df1cc0f79e30cd549d9390190ae8\" kind=\"variable\">\n       <name>boxs_nm</name>\n@@ -96164,20 +96227,14 @@\n   </compound>\n   <compound refid=\"mdgpugraph_8cpp\" kind=\"file\">\n     <name>mdgpugraph.cpp</name>\n   </compound>\n   <compound refid=\"parrinellorahman_8cpp\" kind=\"file\">\n     <name>parrinellorahman.cpp</name>\n   </compound>\n-  <compound refid=\"settle_8cpp\" kind=\"file\">\n-    <name>settle.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2settle_8cpp\" kind=\"file\">\n-    <name>settle.cpp</name>\n-  </compound>\n   <compound refid=\"settletestdata_8cpp\" kind=\"file\">\n     <name>settletestdata.cpp</name>\n   </compound>\n   <compound refid=\"settletestdata_8h\" kind=\"file\">\n     <name>settletestdata.h</name>\n   </compound>\n   <compound refid=\"settletestrunners_8cpp\" kind=\"file\">\n@@ -96188,32 +96245,20 @@\n     <member refid=\"settletestrunners_8h_1a1c3e3e64bd28ea88fa2ca78148f17e38\" kind=\"define\">\n       <name>GPU_SETTLE_SUPPORTED</name>\n     </member>\n   </compound>\n   <compound refid=\"settletestrunners__gpu_8cpp\" kind=\"file\">\n     <name>settletestrunners_gpu.cpp</name>\n   </compound>\n-  <compound refid=\"simulationsignal_8cpp\" kind=\"file\">\n-    <name>simulationsignal.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2simulationsignal_8cpp\" kind=\"file\">\n-    <name>simulationsignal.cpp</name>\n-  </compound>\n   <compound refid=\"tests_2updategroups_8cpp\" kind=\"file\">\n     <name>updategroups.cpp</name>\n   </compound>\n   <compound refid=\"updategroups_8cpp\" kind=\"file\">\n     <name>updategroups.cpp</name>\n   </compound>\n-  <compound refid=\"tests_2updategroupscog_8cpp\" kind=\"file\">\n-    <name>updategroupscog.cpp</name>\n-  </compound>\n-  <compound refid=\"updategroupscog_8cpp\" kind=\"file\">\n-    <name>updategroupscog.cpp</name>\n-  </compound>\n   <compound refid=\"watersystem_8h\" kind=\"file\">\n     <name>watersystem.h</name>\n   </compound>\n   <compound refid=\"tgroup_8cpp\" kind=\"file\">\n     <name>tgroup.cpp</name>\n     <member refid=\"tgroup_8cpp_1a929fa811913497707b0e6c26a9e5f90f\" kind=\"function\">\n       <name>sum_ekin</name>\n@@ -96428,14 +96473,20 @@\n     <member refid=\"update__vv_8h_1a73535f458b491a6e94ea3e7fec5146ff\" kind=\"function\">\n       <name>integrateVVSecondStep</name>\n     </member>\n   </compound>\n   <compound refid=\"updategroups_8h\" kind=\"file\">\n     <name>updategroups.h</name>\n   </compound>\n+  <compound refid=\"tests_2updategroupscog_8cpp\" kind=\"file\">\n+    <name>updategroupscog.cpp</name>\n+  </compound>\n+  <compound refid=\"updategroupscog_8cpp\" kind=\"file\">\n+    <name>updategroupscog.cpp</name>\n+  </compound>\n   <compound refid=\"updategroupscog_8h\" kind=\"file\">\n     <name>updategroupscog.h</name>\n   </compound>\n   <compound refid=\"vcm_8cpp\" kind=\"file\">\n     <name>vcm.cpp</name>\n     <member refid=\"vcm_8cpp_1ae28a47942148c5a7d3960cc7b88ce36d\" kind=\"function\">\n       <name>enumValueToString</name>\n@@ -96854,14 +96905,20 @@\n   </compound>\n   <compound refid=\"awh__history_8h\" kind=\"file\">\n     <name>awh_history.h</name>\n   </compound>\n   <compound refid=\"awh__params_8h\" kind=\"file\">\n     <name>awh_params.h</name>\n   </compound>\n+  <compound refid=\"checkpointdata_8cpp\" kind=\"file\">\n+    <name>checkpointdata.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2checkpointdata_8cpp\" kind=\"file\">\n+    <name>checkpointdata.cpp</name>\n+  </compound>\n   <compound refid=\"checkpointdata_8h\" kind=\"file\">\n     <name>checkpointdata.h</name>\n   </compound>\n   <compound refid=\"commrec_8cpp\" kind=\"file\">\n     <name>commrec.cpp</name>\n   </compound>\n   <compound refid=\"commrec_8h\" kind=\"file\">\n@@ -96989,56 +97046,14 @@\n   </compound>\n   <compound refid=\"forcebuffers_8h\" kind=\"file\">\n     <name>forcebuffers.h</name>\n   </compound>\n   <compound refid=\"forceoutput_8h\" kind=\"file\">\n     <name>forceoutput.h</name>\n   </compound>\n-  <compound refid=\"mdlib_2forcerec_8h\" kind=\"file\">\n-    <name>forcerec.h</name>\n-    <member refid=\"mdlib_2forcerec_8h_1ad574743856f12c6c61adac4638616557\" kind=\"function\">\n-      <name>makeNonBondedParameterLists</name>\n-    </member>\n-    <member refid=\"mdlib_2forcerec_8h_1adda2d38d66ca97ecf4b9a30da8430055\" kind=\"function\">\n-      <name>makeLJPmeC6GridCorrectionParameters</name>\n-    </member>\n-    <member refid=\"mdlib_2forcerec_8h_1a1e7606eaffdcf505126926cfe52933de\" kind=\"function\">\n-      <name>forcerec_set_ranges</name>\n-    </member>\n-    <member refid=\"mdlib_2forcerec_8h_1a2d02f546d7c44d487ce3fc6829d0bf1d\" kind=\"function\">\n-      <name>init_interaction_const_tables</name>\n-    </member>\n-    <member refid=\"mdlib_2forcerec_8h_1a09ac98a471c08df1d4924dd3badb8fb4\" kind=\"function\">\n-      <name>init_forcerec</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"mdtypes_2forcerec_8h\" kind=\"file\">\n-    <name>forcerec.h</name>\n-    <member refid=\"mdtypes_2forcerec_8h_1ae4d0152c2412406295210b2b6633a004\" kind=\"define\">\n-      <name>GMX_CUTOFF_INF</name>\n-    </member>\n-    <member refid=\"mdtypes_2forcerec_8h_1a5063d5dcccfb8867ca5de35a52493304\" kind=\"define\">\n-      <name>C6</name>\n-    </member>\n-    <member refid=\"mdtypes_2forcerec_8h_1ae635fdf2791c00da8444ec339f789e23\" kind=\"define\">\n-      <name>C12</name>\n-    </member>\n-    <member refid=\"mdtypes_2forcerec_8h_1adf04f95ffc1466411b3ce28490b26aea\" kind=\"define\">\n-      <name>BHAMC</name>\n-    </member>\n-    <member refid=\"mdtypes_2forcerec_8h_1a918ce62f3b1ff5871fc8e1c319113861\" kind=\"define\">\n-      <name>BHAMA</name>\n-    </member>\n-    <member refid=\"mdtypes_2forcerec_8h_1a4d2d7382889f102ba1d95a1682f75743\" kind=\"define\">\n-      <name>BHAMB</name>\n-    </member>\n-    <member refid=\"mdtypes_2forcerec_8h_1a002be99447184e86bd915e64b04990eb\" kind=\"function\">\n-      <name>cutoff_inf</name>\n-    </member>\n-  </compound>\n   <compound refid=\"group_8cpp\" kind=\"file\">\n     <name>group.cpp</name>\n   </compound>\n   <compound refid=\"group_8h\" kind=\"file\">\n     <name>group.h</name>\n     <member refid=\"group_8h_1ac9e8d2b7485d668243fac31c7541b2b1\" kind=\"define\">\n       <name>GID</name>\n@@ -97661,20 +97676,14 @@\n   </compound>\n   <compound refid=\"swaphistory_8h\" kind=\"file\">\n     <name>swaphistory.h</name>\n     <member refid=\"swaphistory_8h_1a9a3872a2803189eaef2cd341e21d7b49\" kind=\"typedef\">\n       <name>swaphistory_t</name>\n     </member>\n   </compound>\n-  <compound refid=\"checkpointdata_8cpp\" kind=\"file\">\n-    <name>checkpointdata.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2checkpointdata_8cpp\" kind=\"file\">\n-    <name>checkpointdata.cpp</name>\n-  </compound>\n   <compound refid=\"enerdata_8cpp\" kind=\"file\">\n     <name>enerdata.cpp</name>\n   </compound>\n   <compound refid=\"forcebuffers_8cpp\" kind=\"file\">\n     <name>forcebuffers.cpp</name>\n   </compound>\n   <compound refid=\"tests_2forcebuffers_8cpp\" kind=\"file\">\n@@ -97703,86 +97712,14 @@\n   </compound>\n   <compound refid=\"communicator_8h\" kind=\"file\">\n     <name>communicator.h</name>\n   </compound>\n   <compound refid=\"communicator__stub_8cpp\" kind=\"file\">\n     <name>communicator_stub.cpp</name>\n   </compound>\n-  <compound refid=\"math_2utilities_8cpp\" kind=\"file\">\n-    <name>utilities.cpp</name>\n-    <member refid=\"math_2utilities_8cpp_1a7afe8845680ffc6114c5c9e2ad8b2b2f\" kind=\"function\">\n-      <name>gmx_within_tol</name>\n-    </member>\n-    <member refid=\"math_2utilities_8cpp_1a9273cc4767e2ed010fa467146b4dae1b\" kind=\"function\">\n-      <name>gmx_numzero</name>\n-    </member>\n-    <member refid=\"math_2utilities_8cpp_1a9725aef965535877de71f30fb100ebb1\" kind=\"function\">\n-      <name>check_int_multiply_for_overflow</name>\n-    </member>\n-    <member refid=\"math_2utilities_8cpp_1af6675d24ca9e67e919812680ee2d0ea9\" kind=\"function\">\n-      <name>gmx_feenableexcept</name>\n-    </member>\n-    <member refid=\"math_2utilities_8cpp_1a193723fbd35bf265e210c8bff4228412\" kind=\"function\">\n-      <name>gmx_fedisableexcept</name>\n-    </member>\n-    <member refid=\"math_2utilities_8cpp_1aedcd399b089c89c5859f3f1aaadfd8cd\" kind=\"function\">\n-      <name>gmxShouldEnableFPExceptions</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"mimic_2utilities_8cpp\" kind=\"file\">\n-    <name>utilities.cpp</name>\n-    <member refid=\"mimic_2utilities_8cpp_1ac8c92f4d2b6d6276c25ae95682de13aa\" kind=\"function\">\n-      <name>genQmmmIndices</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h\" kind=\"file\">\n-    <name>utilities.h</name>\n-    <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a1ec29a11264be6ff399bb9409b7e6e69\" kind=\"enum\">\n-      <name>MathOptimization</name>\n-    </member>\n-    <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a1ec29a11264be6ff399bb9409b7e6e69ac6eea0560cd6f377e78dff2c85cc9122\" kind=\"enumvalue\">\n-      <name>Safe</name>\n-    </member>\n-    <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a1ec29a11264be6ff399bb9409b7e6e69ad3d57868b6ff9839eff631d2cc8acbce\" kind=\"enumvalue\">\n-      <name>Unsafe</name>\n-    </member>\n-    <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a7afe8845680ffc6114c5c9e2ad8b2b2f\" kind=\"function\">\n-      <name>gmx_within_tol</name>\n-    </member>\n-    <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a9273cc4767e2ed010fa467146b4dae1b\" kind=\"function\">\n-      <name>gmx_numzero</name>\n-    </member>\n-    <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a9725aef965535877de71f30fb100ebb1\" kind=\"function\">\n-      <name>check_int_multiply_for_overflow</name>\n-    </member>\n-    <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1af6675d24ca9e67e919812680ee2d0ea9\" kind=\"function\">\n-      <name>gmx_feenableexcept</name>\n-    </member>\n-    <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a193723fbd35bf265e210c8bff4228412\" kind=\"function\">\n-      <name>gmx_fedisableexcept</name>\n-    </member>\n-    <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1aedcd399b089c89c5859f3f1aaadfd8cd\" kind=\"function\">\n-      <name>gmxShouldEnableFPExceptions</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"src_2gromacs_2listed__forces_2utilities_8h\" kind=\"file\">\n-    <name>utilities.h</name>\n-    <member refid=\"src_2gromacs_2listed__forces_2utilities_8h_1aba08e75fc4e249fb9ee806cf08781ff5\" kind=\"function\">\n-      <name>ftypeIsListedPotential</name>\n-    </member>\n-    <member refid=\"src_2gromacs_2listed__forces_2utilities_8h_1a02435a07d79c82f6d260d8a2dcc82b90\" kind=\"function\">\n-      <name>ftype_is_bonded_potential</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"src_2gromacs_2mimic_2utilities_8h\" kind=\"file\">\n-    <name>utilities.h</name>\n-    <member refid=\"src_2gromacs_2mimic_2utilities_8h_1ac8c92f4d2b6d6276c25ae95682de13aa\" kind=\"function\">\n-      <name>genQmmmIndices</name>\n-    </member>\n-  </compound>\n   <compound refid=\"andersentemperaturecoupling_8cpp\" kind=\"file\">\n     <name>andersentemperaturecoupling.cpp</name>\n   </compound>\n   <compound refid=\"andersentemperaturecoupling_8h\" kind=\"file\">\n     <name>andersentemperaturecoupling.h</name>\n   </compound>\n   <compound refid=\"checkpointhelper_8cpp\" kind=\"file\">\n@@ -99212,56 +99149,56 @@\n   </compound>\n   <compound refid=\"testsystem_8cpp\" kind=\"file\">\n     <name>testsystem.cpp</name>\n   </compound>\n   <compound refid=\"testsystem_8h\" kind=\"file\">\n     <name>testsystem.h</name>\n   </compound>\n+  <compound refid=\"helpformat_8cpp\" kind=\"file\">\n+    <name>helpformat.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2helpformat_8cpp\" kind=\"file\">\n+    <name>helpformat.cpp</name>\n+  </compound>\n   <compound refid=\"helpformat_8h\" kind=\"file\">\n     <name>helpformat.h</name>\n   </compound>\n   <compound refid=\"helpmanager_8h\" kind=\"file\">\n     <name>helpmanager.h</name>\n   </compound>\n   <compound refid=\"helptopic_8cpp\" kind=\"file\">\n     <name>helptopic.cpp</name>\n   </compound>\n   <compound refid=\"helptopic_8h\" kind=\"file\">\n     <name>helptopic.h</name>\n   </compound>\n+  <compound refid=\"helpwritercontext_8cpp\" kind=\"file\">\n+    <name>helpwritercontext.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2helpwritercontext_8cpp\" kind=\"file\">\n+    <name>helpwritercontext.cpp</name>\n+  </compound>\n   <compound refid=\"helpwritercontext_8h\" kind=\"file\">\n     <name>helpwritercontext.h</name>\n   </compound>\n   <compound refid=\"ihelptopic_8h\" kind=\"file\">\n     <name>ihelptopic.h</name>\n   </compound>\n   <compound refid=\"rstparser_8cpp\" kind=\"file\">\n     <name>rstparser.cpp</name>\n   </compound>\n   <compound refid=\"rstparser_8h\" kind=\"file\">\n     <name>rstparser.h</name>\n   </compound>\n-  <compound refid=\"helpformat_8cpp\" kind=\"file\">\n-    <name>helpformat.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2helpformat_8cpp\" kind=\"file\">\n-    <name>helpformat.cpp</name>\n-  </compound>\n   <compound refid=\"helpmanager_8cpp\" kind=\"file\">\n     <name>helpmanager.cpp</name>\n   </compound>\n   <compound refid=\"tests_2helpmanager_8cpp\" kind=\"file\">\n     <name>helpmanager.cpp</name>\n   </compound>\n-  <compound refid=\"helpwritercontext_8cpp\" kind=\"file\">\n-    <name>helpwritercontext.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2helpwritercontext_8cpp\" kind=\"file\">\n-    <name>helpwritercontext.cpp</name>\n-  </compound>\n   <compound refid=\"mock__helptopic_8cpp\" kind=\"file\">\n     <name>mock_helptopic.cpp</name>\n   </compound>\n   <compound refid=\"mock__helptopic_8h\" kind=\"file\">\n     <name>mock_helptopic.h</name>\n   </compound>\n   <compound refid=\"onlinehelp__doc_8h\" kind=\"file\">\n@@ -99287,14 +99224,20 @@\n   </compound>\n   <compound refid=\"behaviorcollection_8cpp\" kind=\"file\">\n     <name>behaviorcollection.cpp</name>\n   </compound>\n   <compound refid=\"behaviorcollection_8h\" kind=\"file\">\n     <name>behaviorcollection.h</name>\n   </compound>\n+  <compound refid=\"filenameoptionmanager_8cpp\" kind=\"file\">\n+    <name>filenameoptionmanager.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2filenameoptionmanager_8cpp\" kind=\"file\">\n+    <name>filenameoptionmanager.cpp</name>\n+  </compound>\n   <compound refid=\"filenameoptionstorage_8h\" kind=\"file\">\n     <name>filenameoptionstorage.h</name>\n   </compound>\n   <compound refid=\"isectionstorage_8h\" kind=\"file\">\n     <name>isectionstorage.h</name>\n   </compound>\n   <compound refid=\"optionmanagercontainer_8h\" kind=\"file\">\n@@ -99302,14 +99245,20 @@\n   </compound>\n   <compound refid=\"options_8cpp\" kind=\"file\">\n     <name>options.cpp</name>\n   </compound>\n   <compound refid=\"options__impl_8h\" kind=\"file\">\n     <name>options_impl.h</name>\n   </compound>\n+  <compound refid=\"optionsassigner_8cpp\" kind=\"file\">\n+    <name>optionsassigner.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2optionsassigner_8cpp\" kind=\"file\">\n+    <name>optionsassigner.cpp</name>\n+  </compound>\n   <compound refid=\"optionsassigner_8h\" kind=\"file\">\n     <name>optionsassigner.h</name>\n   </compound>\n   <compound refid=\"optionsection_8cpp\" kind=\"file\">\n     <name>optionsection.cpp</name>\n   </compound>\n   <compound refid=\"optionsection_8h\" kind=\"file\">\n@@ -99332,44 +99281,32 @@\n   </compound>\n   <compound refid=\"filenameoption_8cpp\" kind=\"file\">\n     <name>filenameoption.cpp</name>\n   </compound>\n   <compound refid=\"tests_2filenameoption_8cpp\" kind=\"file\">\n     <name>filenameoption.cpp</name>\n   </compound>\n-  <compound refid=\"filenameoptionmanager_8cpp\" kind=\"file\">\n-    <name>filenameoptionmanager.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2filenameoptionmanager_8cpp\" kind=\"file\">\n-    <name>filenameoptionmanager.cpp</name>\n-  </compound>\n   <compound refid=\"option_8cpp\" kind=\"file\">\n     <name>option.cpp</name>\n   </compound>\n-  <compound refid=\"optionsassigner_8cpp\" kind=\"file\">\n-    <name>optionsassigner.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2optionsassigner_8cpp\" kind=\"file\">\n-    <name>optionsassigner.cpp</name>\n-  </compound>\n   <compound refid=\"repeatingsection_8cpp\" kind=\"file\">\n     <name>repeatingsection.cpp</name>\n   </compound>\n-  <compound refid=\"tests_2treesupport_8cpp\" kind=\"file\">\n-    <name>treesupport.cpp</name>\n-  </compound>\n-  <compound refid=\"treesupport_8cpp\" kind=\"file\">\n-    <name>treesupport.cpp</name>\n-  </compound>\n   <compound refid=\"tests_2timeunitmanager_8cpp\" kind=\"file\">\n     <name>timeunitmanager.cpp</name>\n   </compound>\n   <compound refid=\"timeunitmanager_8cpp\" kind=\"file\">\n     <name>timeunitmanager.cpp</name>\n   </compound>\n+  <compound refid=\"tests_2treesupport_8cpp\" kind=\"file\">\n+    <name>treesupport.cpp</name>\n+  </compound>\n+  <compound refid=\"treesupport_8cpp\" kind=\"file\">\n+    <name>treesupport.cpp</name>\n+  </compound>\n   <compound refid=\"treesupport_8h\" kind=\"file\">\n     <name>treesupport.h</name>\n   </compound>\n   <compound refid=\"valueconverter_8h\" kind=\"file\">\n     <name>valueconverter.h</name>\n   </compound>\n   <compound refid=\"valuestore_8h\" kind=\"file\">\n@@ -99536,71 +99473,14 @@\n     <member refid=\"rmpbc_8h_1a38aa31db2a91c22f5c7cbc48dfa4e50e\" kind=\"function\">\n       <name>gmx_rmpbc_trxfr</name>\n     </member>\n     <member refid=\"rmpbc_8h_1a4e2e91b8082ca3ff1f0e855c1117fd03\" kind=\"function\">\n       <name>rm_gropbc</name>\n     </member>\n   </compound>\n-  <compound refid=\"pbc__simd_8cpp\" kind=\"file\">\n-    <name>pbc_simd.cpp</name>\n-    <member refid=\"pbc__simd_8cpp_1aee24df3284f90cb78860cfdaab7089ab\" kind=\"function\">\n-      <name>set_pbc_simd</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"pbcmethods_8cpp\" kind=\"file\">\n-    <name>pbcmethods.cpp</name>\n-    <member refid=\"pbcmethods_8cpp_1a52f8059b0986fb05e15fd0035fdc6a2b\" kind=\"function\">\n-      <name>calc_pbc_cluster</name>\n-    </member>\n-    <member refid=\"pbcmethods_8cpp_1a8ec2afb0ca5771a6cdf44732d633d96f\" kind=\"function\">\n-      <name>put_molecule_com_in_box</name>\n-    </member>\n-    <member refid=\"pbcmethods_8cpp_1a04b87efed9af260ea5f49bfa873aa70e\" kind=\"function\">\n-      <name>put_residue_com_in_box</name>\n-    </member>\n-    <member refid=\"pbcmethods_8cpp_1ac6f8bba9977d70579e00ae10dc9af99d\" kind=\"function\">\n-      <name>center_x</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"rmpbc_8cpp\" kind=\"file\">\n-    <name>rmpbc.cpp</name>\n-    <member refid=\"rmpbc_8cpp_1ac536bf490466c30e00e7cb4a85675040\" kind=\"function\">\n-      <name>gmx_rmpbc_get_graph</name>\n-    </member>\n-    <member refid=\"rmpbc_8cpp_1aa252c0fc00c4272a6bdec0441829b8ee\" kind=\"function\">\n-      <name>gmx_rmpbc_init</name>\n-    </member>\n-    <member refid=\"rmpbc_8cpp_1a07d42c6ace1e89b4ce56f216e9da69e1\" kind=\"function\">\n-      <name>gmx_rmpbc_init</name>\n-    </member>\n-    <member refid=\"rmpbc_8cpp_1a351e2acb4b7354ea4ac287f326454c71\" kind=\"function\">\n-      <name>gmx_rmpbc_done</name>\n-    </member>\n-    <member refid=\"rmpbc_8cpp_1a764437d343086ba1a909940208e96d8e\" kind=\"function\">\n-      <name>gmx_rmpbc_ePBC</name>\n-    </member>\n-    <member refid=\"rmpbc_8cpp_1a01d27f3c880651f09bd792882dd50311\" kind=\"function\">\n-      <name>gmx_rmpbc_apply</name>\n-    </member>\n-    <member refid=\"rmpbc_8cpp_1a9f55260729ac048abaec272ff3e00e5b\" kind=\"function\">\n-      <name>gmx_rmpbc_copy</name>\n-    </member>\n-    <member refid=\"rmpbc_8cpp_1aea3141b86177903310331352c7d8610c\" kind=\"function\">\n-      <name>gmx_rmpbc_trxfr</name>\n-    </member>\n-    <member refid=\"rmpbc_8cpp_1a4e2e91b8082ca3ff1f0e855c1117fd03\" kind=\"function\">\n-      <name>rm_gropbc</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"com_8cpp\" kind=\"file\">\n-    <name>com.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2com_8cpp\" kind=\"file\">\n-    <name>com.cpp</name>\n-  </compound>\n   <compound refid=\"mshift_8cpp\" kind=\"file\">\n     <name>mshift.cpp</name>\n     <member refid=\"mshift_8cpp_1ad964a3f8c753d6ff74ed62496c8d3193\" kind=\"define\">\n       <name>GCHECK</name>\n     </member>\n     <member refid=\"mshift_8cpp_1aa6dd05891d05cc30dee1096497a73109\" kind=\"function\">\n       <name>mk_igraph</name>\n@@ -99806,14 +99686,71 @@\n     <member refid=\"pbc_8cpp_1a6d40eaad92c0f593734446b2b457bb62\" kind=\"function\">\n       <name>setBoxDeformationRate</name>\n     </member>\n   </compound>\n   <compound refid=\"tests_2pbc_8cpp\" kind=\"file\">\n     <name>pbc.cpp</name>\n   </compound>\n+  <compound refid=\"pbc__simd_8cpp\" kind=\"file\">\n+    <name>pbc_simd.cpp</name>\n+    <member refid=\"pbc__simd_8cpp_1aee24df3284f90cb78860cfdaab7089ab\" kind=\"function\">\n+      <name>set_pbc_simd</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"pbcmethods_8cpp\" kind=\"file\">\n+    <name>pbcmethods.cpp</name>\n+    <member refid=\"pbcmethods_8cpp_1a52f8059b0986fb05e15fd0035fdc6a2b\" kind=\"function\">\n+      <name>calc_pbc_cluster</name>\n+    </member>\n+    <member refid=\"pbcmethods_8cpp_1a8ec2afb0ca5771a6cdf44732d633d96f\" kind=\"function\">\n+      <name>put_molecule_com_in_box</name>\n+    </member>\n+    <member refid=\"pbcmethods_8cpp_1a04b87efed9af260ea5f49bfa873aa70e\" kind=\"function\">\n+      <name>put_residue_com_in_box</name>\n+    </member>\n+    <member refid=\"pbcmethods_8cpp_1ac6f8bba9977d70579e00ae10dc9af99d\" kind=\"function\">\n+      <name>center_x</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"rmpbc_8cpp\" kind=\"file\">\n+    <name>rmpbc.cpp</name>\n+    <member refid=\"rmpbc_8cpp_1ac536bf490466c30e00e7cb4a85675040\" kind=\"function\">\n+      <name>gmx_rmpbc_get_graph</name>\n+    </member>\n+    <member refid=\"rmpbc_8cpp_1aa252c0fc00c4272a6bdec0441829b8ee\" kind=\"function\">\n+      <name>gmx_rmpbc_init</name>\n+    </member>\n+    <member refid=\"rmpbc_8cpp_1a07d42c6ace1e89b4ce56f216e9da69e1\" kind=\"function\">\n+      <name>gmx_rmpbc_init</name>\n+    </member>\n+    <member refid=\"rmpbc_8cpp_1a351e2acb4b7354ea4ac287f326454c71\" kind=\"function\">\n+      <name>gmx_rmpbc_done</name>\n+    </member>\n+    <member refid=\"rmpbc_8cpp_1a764437d343086ba1a909940208e96d8e\" kind=\"function\">\n+      <name>gmx_rmpbc_ePBC</name>\n+    </member>\n+    <member refid=\"rmpbc_8cpp_1a01d27f3c880651f09bd792882dd50311\" kind=\"function\">\n+      <name>gmx_rmpbc_apply</name>\n+    </member>\n+    <member refid=\"rmpbc_8cpp_1a9f55260729ac048abaec272ff3e00e5b\" kind=\"function\">\n+      <name>gmx_rmpbc_copy</name>\n+    </member>\n+    <member refid=\"rmpbc_8cpp_1aea3141b86177903310331352c7d8610c\" kind=\"function\">\n+      <name>gmx_rmpbc_trxfr</name>\n+    </member>\n+    <member refid=\"rmpbc_8cpp_1a4e2e91b8082ca3ff1f0e855c1117fd03\" kind=\"function\">\n+      <name>rm_gropbc</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"com_8cpp\" kind=\"file\">\n+    <name>com.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2com_8cpp\" kind=\"file\">\n+    <name>com.cpp</name>\n+  </compound>\n   <compound refid=\"pbcenums_8cpp\" kind=\"file\">\n     <name>pbcenums.cpp</name>\n   </compound>\n   <compound refid=\"tests_2pbcenums_8cpp\" kind=\"file\">\n     <name>pbcenums.cpp</name>\n   </compound>\n   <compound refid=\"pull_8h\" kind=\"file\">\n@@ -100526,14 +100463,146 @@\n     <member refid=\"evaluate_8h_1a5e69c1398559aabcbdbc5070f2bbf10e\" kind=\"function\">\n       <name>_gmx_sel_evaluate_and</name>\n     </member>\n     <member refid=\"evaluate_8h_1a22b6b6a3749e81a0c332121000e6df78\" kind=\"function\">\n       <name>_gmx_sel_evaluate_or</name>\n     </member>\n   </compound>\n+  <compound refid=\"indexutil_8cpp\" kind=\"file\">\n+    <name>indexutil.cpp</name>\n+    <member refid=\"indexutil_8cpp_1a0d73c532466a6c1f16eaa79ac7779cda\" kind=\"function\">\n+      <name>gmx_ana_indexgrps_init</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a7c52fc07ccfa2796785a9ca0463a28e9\" kind=\"function\">\n+      <name>gmx_ana_indexgrps_free</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1afd435ef78f954dfe2da4333d646f2b4b\" kind=\"function\">\n+      <name>gmx_ana_indexgrps_extract</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a2e58b81f252d8d791993878fd486affb\" kind=\"function\">\n+      <name>gmx_ana_indexgrps_find</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a95fdac296eb9b2f1e57b3efbe18c221d\" kind=\"function\">\n+      <name>gmx_ana_indexgrps_print</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a084e5e78e92e2035a834bf7958a45b20\" kind=\"function\">\n+      <name>gmx_ana_index_reserve</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1af45d8a0b1b4bacf126a01d04e8357f49\" kind=\"function\">\n+      <name>gmx_ana_index_squeeze</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1af4f90612207c7c5094501521b8a92689\" kind=\"function\">\n+      <name>gmx_ana_index_clear</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1ab6b64a9302f16fbc24a1eb03bdf41d00\" kind=\"function\">\n+      <name>gmx_ana_index_set</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a3dbfc10f956f0cf8d37a72ea6e6b005e\" kind=\"function\">\n+      <name>gmx_ana_index_init_simple</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1ad0f6aafce1b2234d9bd09686352dca71\" kind=\"function\">\n+      <name>gmx_ana_index_deinit</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1aa8a3284db45e8ed2784201f1c3d43754\" kind=\"function\">\n+      <name>gmx_ana_index_copy</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a93b70f0aab85679c5a1aa4a2dca7921a\" kind=\"function\">\n+      <name>gmx_ana_index_dump</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1aaec35269da72e2c51e829dbd65023246\" kind=\"function\">\n+      <name>gmx_ana_index_get_max_index</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a3c5b2477337e27536518be8ad4c59cc6\" kind=\"function\">\n+      <name>gmx_ana_index_check_sorted</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a40d5b4b6771696aa85f9b3cbe7320220\" kind=\"function\">\n+      <name>gmx_ana_index_check_range</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a8872aa14b9b23e545bd6a6c8c49238cf\" kind=\"function\">\n+      <name>gmx_ana_index_sort</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a20e55f7dfde504062bd7611bb3c1f334\" kind=\"function\">\n+      <name>gmx_ana_index_remove_duplicates</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a2a0f110de3e285c9d700d34876c7872e\" kind=\"function\">\n+      <name>gmx_ana_index_equals</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1af353f7e48a3078579b6e032dd3affce1\" kind=\"function\">\n+      <name>gmx_ana_index_contains</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1ac217ad643cf1347e01cff4cca583a0db\" kind=\"function\">\n+      <name>gmx_ana_index_intersection</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a36418762a1d83eed47840281d779e312\" kind=\"function\">\n+      <name>gmx_ana_index_difference</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a1674b8960e0058dd3a6ab7f7f0a69841\" kind=\"function\">\n+      <name>gmx_ana_index_difference_size</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a1a1be16095557d63b0c3a1bf7f9f29b2\" kind=\"function\">\n+      <name>gmx_ana_index_partition</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a42425ece80cdd7b293308fb39edf6e18\" kind=\"function\">\n+      <name>gmx_ana_index_union</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a29f3105dac88715d0a2278a2025544da\" kind=\"function\">\n+      <name>gmx_ana_index_union_unsorted</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a9a83282e2ab6166b970ab221b60e6df1\" kind=\"function\">\n+      <name>gmx_ana_index_merge</name>\n+    </member>\n+    <member refid=\"group__module__selection_1ga721068c6fc50538dc245b27a8c6cf958\" kind=\"function\">\n+      <name>next_group_index</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a2f0465bdcb2eb967ecf1e1b90c822359\" kind=\"function\">\n+      <name>gmx_ana_index_make_block</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a0a96e2df924f1a95a111bc062d49e71b\" kind=\"function\">\n+      <name>gmx_ana_index_has_full_blocks</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a63020f357a8efd413470a669e45e1696\" kind=\"function\">\n+      <name>gmx_ana_index_has_full_ablocks</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a441bd6930488b846fe911b52412fa730\" kind=\"function\">\n+      <name>is_at_residue_boundary</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a30b8e2df23aaabd93b12f273eb5ad0ec\" kind=\"function\">\n+      <name>gmx_ana_index_has_complete_elems</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a521bc0c5c619c566925ba515c6501a50\" kind=\"function\">\n+      <name>gmx_ana_indexmap_clear</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1ae81020f97f9da8509f85166d293d8575\" kind=\"function\">\n+      <name>gmx_ana_indexmap_reserve</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a74069ed995e7641acfd6671ea3a28f63\" kind=\"function\">\n+      <name>gmx_ana_indexmap_init</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1aaf51b32674087a263fc7b34305b307cc\" kind=\"function\">\n+      <name>gmx_ana_indexmap_init_orgid_group</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a343d136c6f9999de805f7b0197707d0f\" kind=\"function\">\n+      <name>gmx_ana_indexmap_set_static</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1accb30c49eef3b94b1d6318742cbc8662\" kind=\"function\">\n+      <name>gmx_ana_indexmap_copy</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a70ece65ec7e83272fca80a96ef3d2847\" kind=\"function\">\n+      <name>set_atoms</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1aa100f0522b7c9ad3090ee32fe7ced7ad\" kind=\"function\">\n+      <name>gmx_ana_indexmap_update</name>\n+    </member>\n+    <member refid=\"indexutil_8cpp_1a03b58612d9db3c295423c4ad9fb73160\" kind=\"function\">\n+      <name>gmx_ana_indexmap_deinit</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2indexutil_8cpp\" kind=\"file\">\n+    <name>indexutil.cpp</name>\n+  </compound>\n   <compound refid=\"keywords_8h\" kind=\"file\">\n     <name>keywords.h</name>\n     <member refid=\"keywords_8h_1ab093a0fba0b0fb9c255e7dc9a8236f9e\" kind=\"variable\">\n       <name>sm_compare</name>\n     </member>\n     <member refid=\"keywords_8h_1a0cb118351cf0454feae0c495427ac22b\" kind=\"variable\">\n       <name>sm_keyword_int</name>\n@@ -100622,14 +100691,20 @@\n     <member refid=\"mempool_8h_1ab6d31a7e65ca3c3a9b7c60030e463f7e\" kind=\"function\">\n       <name>_gmx_sel_mempool_alloc_group</name>\n     </member>\n     <member refid=\"mempool_8h_1a54bee0becd16f45c8fef086741f3c640\" kind=\"function\">\n       <name>_gmx_sel_mempool_free_group</name>\n     </member>\n   </compound>\n+  <compound refid=\"nbsearch_8cpp\" kind=\"file\">\n+    <name>nbsearch.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2nbsearch_8cpp\" kind=\"file\">\n+    <name>nbsearch.cpp</name>\n+  </compound>\n   <compound refid=\"params_8cpp\" kind=\"file\">\n     <name>params.cpp</name>\n     <member refid=\"params_8cpp_1a0b7a4287d249f2fc627a4ba6e2e6969b\" kind=\"function\">\n       <name>gmx_ana_selparam_find</name>\n     </member>\n     <member refid=\"params_8cpp_1a19d2834cd3672d8cfb1456e0a2df8611\" kind=\"function\">\n       <name>convert_value</name>\n@@ -102263,152 +102338,14 @@\n   </compound>\n   <compound refid=\"symrec_8cpp\" kind=\"file\">\n     <name>symrec.cpp</name>\n   </compound>\n   <compound refid=\"symrec_8h\" kind=\"file\">\n     <name>symrec.h</name>\n   </compound>\n-  <compound refid=\"indexutil_8cpp\" kind=\"file\">\n-    <name>indexutil.cpp</name>\n-    <member refid=\"indexutil_8cpp_1a0d73c532466a6c1f16eaa79ac7779cda\" kind=\"function\">\n-      <name>gmx_ana_indexgrps_init</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a7c52fc07ccfa2796785a9ca0463a28e9\" kind=\"function\">\n-      <name>gmx_ana_indexgrps_free</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1afd435ef78f954dfe2da4333d646f2b4b\" kind=\"function\">\n-      <name>gmx_ana_indexgrps_extract</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a2e58b81f252d8d791993878fd486affb\" kind=\"function\">\n-      <name>gmx_ana_indexgrps_find</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a95fdac296eb9b2f1e57b3efbe18c221d\" kind=\"function\">\n-      <name>gmx_ana_indexgrps_print</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a084e5e78e92e2035a834bf7958a45b20\" kind=\"function\">\n-      <name>gmx_ana_index_reserve</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1af45d8a0b1b4bacf126a01d04e8357f49\" kind=\"function\">\n-      <name>gmx_ana_index_squeeze</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1af4f90612207c7c5094501521b8a92689\" kind=\"function\">\n-      <name>gmx_ana_index_clear</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1ab6b64a9302f16fbc24a1eb03bdf41d00\" kind=\"function\">\n-      <name>gmx_ana_index_set</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a3dbfc10f956f0cf8d37a72ea6e6b005e\" kind=\"function\">\n-      <name>gmx_ana_index_init_simple</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1ad0f6aafce1b2234d9bd09686352dca71\" kind=\"function\">\n-      <name>gmx_ana_index_deinit</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1aa8a3284db45e8ed2784201f1c3d43754\" kind=\"function\">\n-      <name>gmx_ana_index_copy</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a93b70f0aab85679c5a1aa4a2dca7921a\" kind=\"function\">\n-      <name>gmx_ana_index_dump</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1aaec35269da72e2c51e829dbd65023246\" kind=\"function\">\n-      <name>gmx_ana_index_get_max_index</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a3c5b2477337e27536518be8ad4c59cc6\" kind=\"function\">\n-      <name>gmx_ana_index_check_sorted</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a40d5b4b6771696aa85f9b3cbe7320220\" kind=\"function\">\n-      <name>gmx_ana_index_check_range</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a8872aa14b9b23e545bd6a6c8c49238cf\" kind=\"function\">\n-      <name>gmx_ana_index_sort</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a20e55f7dfde504062bd7611bb3c1f334\" kind=\"function\">\n-      <name>gmx_ana_index_remove_duplicates</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a2a0f110de3e285c9d700d34876c7872e\" kind=\"function\">\n-      <name>gmx_ana_index_equals</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1af353f7e48a3078579b6e032dd3affce1\" kind=\"function\">\n-      <name>gmx_ana_index_contains</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1ac217ad643cf1347e01cff4cca583a0db\" kind=\"function\">\n-      <name>gmx_ana_index_intersection</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a36418762a1d83eed47840281d779e312\" kind=\"function\">\n-      <name>gmx_ana_index_difference</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a1674b8960e0058dd3a6ab7f7f0a69841\" kind=\"function\">\n-      <name>gmx_ana_index_difference_size</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a1a1be16095557d63b0c3a1bf7f9f29b2\" kind=\"function\">\n-      <name>gmx_ana_index_partition</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a42425ece80cdd7b293308fb39edf6e18\" kind=\"function\">\n-      <name>gmx_ana_index_union</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a29f3105dac88715d0a2278a2025544da\" kind=\"function\">\n-      <name>gmx_ana_index_union_unsorted</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a9a83282e2ab6166b970ab221b60e6df1\" kind=\"function\">\n-      <name>gmx_ana_index_merge</name>\n-    </member>\n-    <member refid=\"group__module__selection_1ga721068c6fc50538dc245b27a8c6cf958\" kind=\"function\">\n-      <name>next_group_index</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a2f0465bdcb2eb967ecf1e1b90c822359\" kind=\"function\">\n-      <name>gmx_ana_index_make_block</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a0a96e2df924f1a95a111bc062d49e71b\" kind=\"function\">\n-      <name>gmx_ana_index_has_full_blocks</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a63020f357a8efd413470a669e45e1696\" kind=\"function\">\n-      <name>gmx_ana_index_has_full_ablocks</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a441bd6930488b846fe911b52412fa730\" kind=\"function\">\n-      <name>is_at_residue_boundary</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a30b8e2df23aaabd93b12f273eb5ad0ec\" kind=\"function\">\n-      <name>gmx_ana_index_has_complete_elems</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a521bc0c5c619c566925ba515c6501a50\" kind=\"function\">\n-      <name>gmx_ana_indexmap_clear</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1ae81020f97f9da8509f85166d293d8575\" kind=\"function\">\n-      <name>gmx_ana_indexmap_reserve</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a74069ed995e7641acfd6671ea3a28f63\" kind=\"function\">\n-      <name>gmx_ana_indexmap_init</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1aaf51b32674087a263fc7b34305b307cc\" kind=\"function\">\n-      <name>gmx_ana_indexmap_init_orgid_group</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a343d136c6f9999de805f7b0197707d0f\" kind=\"function\">\n-      <name>gmx_ana_indexmap_set_static</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1accb30c49eef3b94b1d6318742cbc8662\" kind=\"function\">\n-      <name>gmx_ana_indexmap_copy</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a70ece65ec7e83272fca80a96ef3d2847\" kind=\"function\">\n-      <name>set_atoms</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1aa100f0522b7c9ad3090ee32fe7ced7ad\" kind=\"function\">\n-      <name>gmx_ana_indexmap_update</name>\n-    </member>\n-    <member refid=\"indexutil_8cpp_1a03b58612d9db3c295423c4ad9fb73160\" kind=\"function\">\n-      <name>gmx_ana_indexmap_deinit</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2indexutil_8cpp\" kind=\"file\">\n-    <name>indexutil.cpp</name>\n-  </compound>\n-  <compound refid=\"nbsearch_8cpp\" kind=\"file\">\n-    <name>nbsearch.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2nbsearch_8cpp\" kind=\"file\">\n-    <name>nbsearch.cpp</name>\n-  </compound>\n   <compound refid=\"poscalc_8cpp\" kind=\"file\">\n     <name>poscalc.cpp</name>\n     <member refid=\"poscalc_8cpp_1a1a26d01f91edcd50ef43e3a7d2e1e1ef\" kind=\"function\">\n       <name>index_type_for_poscalc</name>\n     </member>\n     <member refid=\"poscalc_8cpp_1af0c51ef47d58fb366b02c678c4dc8de8\" kind=\"function\">\n       <name>set_poscalc_maxindex</name>\n@@ -102623,50 +102560,14 @@\n   </compound>\n   <compound refid=\"scalar__math_8h\" kind=\"file\">\n     <name>scalar_math.h</name>\n   </compound>\n   <compound refid=\"scalar__util_8h\" kind=\"file\">\n     <name>scalar_util.h</name>\n   </compound>\n-  <compound refid=\"simd__math_8h\" kind=\"file\">\n-    <name>simd_math.h</name>\n-  </compound>\n-  <compound refid=\"simd__memory_8h\" kind=\"file\">\n-    <name>simd_memory.h</name>\n-  </compound>\n-  <compound refid=\"vector__operations_8h\" kind=\"file\">\n-    <name>vector_operations.h</name>\n-  </compound>\n-  <compound refid=\"base_8cpp\" kind=\"file\">\n-    <name>base.cpp</name>\n-  </compound>\n-  <compound refid=\"base_8h\" kind=\"file\">\n-    <name>base.h</name>\n-    <member refid=\"base_8h_1ac0824259807000bc715ae859f7d0bdff\" kind=\"define\">\n-      <name>GMX_SIMD_ACCURACY_BITS_REAL</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"bootstrap__loadstore_8cpp\" kind=\"file\">\n-    <name>bootstrap_loadstore.cpp</name>\n-  </compound>\n-  <compound refid=\"data_8h\" kind=\"file\">\n-    <name>data.h</name>\n-  </compound>\n-  <compound refid=\"scalar_8cpp\" kind=\"file\">\n-    <name>scalar.cpp</name>\n-  </compound>\n-  <compound refid=\"scalar__math_8cpp\" kind=\"file\">\n-    <name>scalar_math.cpp</name>\n-  </compound>\n-  <compound refid=\"scalar__util_8cpp\" kind=\"file\">\n-    <name>scalar_util.cpp</name>\n-  </compound>\n-  <compound refid=\"simd_8cpp\" kind=\"file\">\n-    <name>simd.cpp</name>\n-  </compound>\n   <compound refid=\"include_2gromacs_2simd_2simd_8h\" kind=\"file\">\n     <name>simd.h</name>\n     <member refid=\"group__module__simd_1ga1578fccdb327f36a2bea338457cbf883\" kind=\"define\">\n       <name>GMX_SIMD_HAVE_REAL</name>\n     </member>\n     <member refid=\"group__module__simd_1ga586ccc19c21a1d5e9c97e15b70822fba\" kind=\"define\">\n       <name>GMX_SIMD_REAL_WIDTH</name>\n@@ -102707,14 +102608,50 @@\n     <member refid=\"include_2gromacs_2simd_2simd_8h_1a189844f1c8b104833734513c2ae480a9\" kind=\"define\">\n       <name>GMX_SIMD4N_REAL_WIDTH</name>\n     </member>\n   </compound>\n   <compound refid=\"tests_2simd_8h\" kind=\"file\">\n     <name>simd.h</name>\n   </compound>\n+  <compound refid=\"simd__math_8h\" kind=\"file\">\n+    <name>simd_math.h</name>\n+  </compound>\n+  <compound refid=\"simd__memory_8h\" kind=\"file\">\n+    <name>simd_memory.h</name>\n+  </compound>\n+  <compound refid=\"vector__operations_8h\" kind=\"file\">\n+    <name>vector_operations.h</name>\n+  </compound>\n+  <compound refid=\"base_8cpp\" kind=\"file\">\n+    <name>base.cpp</name>\n+  </compound>\n+  <compound refid=\"base_8h\" kind=\"file\">\n+    <name>base.h</name>\n+    <member refid=\"base_8h_1ac0824259807000bc715ae859f7d0bdff\" kind=\"define\">\n+      <name>GMX_SIMD_ACCURACY_BITS_REAL</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"bootstrap__loadstore_8cpp\" kind=\"file\">\n+    <name>bootstrap_loadstore.cpp</name>\n+  </compound>\n+  <compound refid=\"data_8h\" kind=\"file\">\n+    <name>data.h</name>\n+  </compound>\n+  <compound refid=\"scalar_8cpp\" kind=\"file\">\n+    <name>scalar.cpp</name>\n+  </compound>\n+  <compound refid=\"scalar__math_8cpp\" kind=\"file\">\n+    <name>scalar_math.cpp</name>\n+  </compound>\n+  <compound refid=\"scalar__util_8cpp\" kind=\"file\">\n+    <name>scalar_util.cpp</name>\n+  </compound>\n+  <compound refid=\"simd_8cpp\" kind=\"file\">\n+    <name>simd.cpp</name>\n+  </compound>\n   <compound refid=\"simd4_8cpp\" kind=\"file\">\n     <name>simd4.cpp</name>\n   </compound>\n   <compound refid=\"simd4_8h\" kind=\"file\">\n     <name>simd4.h</name>\n   </compound>\n   <compound refid=\"simd4__floatingpoint_8cpp\" kind=\"file\">\n@@ -103910,14 +103847,41 @@\n     <member refid=\"convert__tpr_8cpp_1a6a1dfd27250c05439e72e91d1dc621d9\" kind=\"function\">\n       <name>print_runtime_info</name>\n     </member>\n   </compound>\n   <compound refid=\"convert__tpr_8h\" kind=\"file\">\n     <name>convert_tpr.h</name>\n   </compound>\n+  <compound refid=\"domdec_2dump_8cpp\" kind=\"file\">\n+    <name>dump.cpp</name>\n+    <member refid=\"domdec_2dump_8cpp_1a24ad4a51109a28e8e9c62508b9e42647\" kind=\"function\">\n+      <name>write_dd_grid_pdb</name>\n+    </member>\n+    <member refid=\"domdec_2dump_8cpp_1a1bd82c86c0d8c32a9ee429e70eaaa803\" kind=\"function\">\n+      <name>write_dd_pdb</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tools_2dump_8cpp\" kind=\"file\">\n+    <name>dump.cpp</name>\n+  </compound>\n+  <compound refid=\"tools_2tests_2dump_8cpp\" kind=\"file\">\n+    <name>dump.cpp</name>\n+  </compound>\n+  <compound refid=\"domdec_2dump_8h\" kind=\"file\">\n+    <name>dump.h</name>\n+    <member refid=\"domdec_2dump_8h_1a24ad4a51109a28e8e9c62508b9e42647\" kind=\"function\">\n+      <name>write_dd_grid_pdb</name>\n+    </member>\n+    <member refid=\"domdec_2dump_8h_1a1bd82c86c0d8c32a9ee429e70eaaa803\" kind=\"function\">\n+      <name>write_dd_pdb</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tools_2dump_8h\" kind=\"file\">\n+    <name>dump.h</name>\n+  </compound>\n   <compound refid=\"eneconv_8cpp\" kind=\"file\">\n     <name>eneconv.cpp</name>\n     <member refid=\"eneconv_8cpp_1a7f53bfa6bc1bc9e1f0669290d03dc823\" kind=\"define\">\n       <name>TIME_EXPLICIT</name>\n     </member>\n     <member refid=\"eneconv_8cpp_1af23ab04b746a0b7cf50a63d4306f956f\" kind=\"define\">\n       <name>TIME_CONTINUE</name>\n@@ -104192,47 +104156,14 @@\n   </compound>\n   <compound refid=\"report__methods_8cpp\" kind=\"file\">\n     <name>report_methods.cpp</name>\n   </compound>\n   <compound refid=\"tests_2report__methods_8cpp\" kind=\"file\">\n     <name>report_methods.cpp</name>\n   </compound>\n-  <compound refid=\"tests_2trjconv_8cpp\" kind=\"file\">\n-    <name>trjconv.cpp</name>\n-  </compound>\n-  <compound refid=\"trjconv_8cpp\" kind=\"file\">\n-    <name>trjconv.cpp</name>\n-    <member refid=\"trjconv_8cpp_1ab70d4725699c0935e4847676027e7820\" kind=\"define\">\n-      <name>NPA</name>\n-    </member>\n-    <member refid=\"trjconv_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n-      <name>NFILE</name>\n-    </member>\n-    <member refid=\"trjconv_8cpp_1a629269f9c37c238d6eeac864c6b95457\" kind=\"function\">\n-      <name>mk_filenm</name>\n-    </member>\n-    <member refid=\"trjconv_8cpp_1a604e80a6138465ebed83fc0fa2c28426\" kind=\"function\">\n-      <name>check_trr</name>\n-    </member>\n-    <member refid=\"trjconv_8cpp_1a188a4a4c725191dbdff64a6cf6f86319\" kind=\"function\">\n-      <name>do_trunc</name>\n-    </member>\n-    <member refid=\"trjconv_8cpp_1a7deffd22a7085884343e6e3c81be8c0a\" kind=\"function\">\n-      <name>read_mtop_for_tng</name>\n-    </member>\n-    <member refid=\"trjconv_8cpp_1aede11562e4aafe998dcb33e023c3a0b7\" kind=\"function\">\n-      <name>copyTrxframeDeeply</name>\n-    </member>\n-    <member refid=\"trjconv_8cpp_1ac91dc616983ac214a56e67853755d456\" kind=\"function\">\n-      <name>swapFrames</name>\n-    </member>\n-    <member refid=\"trjconv_8cpp_1a038540cdbed36105ee2e83581665b579\" kind=\"function\">\n-      <name>gmx_trjconv</name>\n-    </member>\n-  </compound>\n   <compound refid=\"trjcat_8cpp\" kind=\"file\">\n     <name>trjcat.cpp</name>\n     <member refid=\"trjcat_8cpp_1a7f53bfa6bc1bc9e1f0669290d03dc823\" kind=\"define\">\n       <name>TIME_EXPLICIT</name>\n     </member>\n     <member refid=\"trjcat_8cpp_1af23ab04b746a0b7cf50a63d4306f956f\" kind=\"define\">\n       <name>TIME_CONTINUE</name>\n@@ -104270,14 +104201,47 @@\n   </compound>\n   <compound refid=\"trjcat_8h\" kind=\"file\">\n     <name>trjcat.h</name>\n     <member refid=\"trjcat_8h_1a64bb43abd6cc8a53fc401edecc7ef3cf\" kind=\"function\">\n       <name>gmx_trjcat</name>\n     </member>\n   </compound>\n+  <compound refid=\"tests_2trjconv_8cpp\" kind=\"file\">\n+    <name>trjconv.cpp</name>\n+  </compound>\n+  <compound refid=\"trjconv_8cpp\" kind=\"file\">\n+    <name>trjconv.cpp</name>\n+    <member refid=\"trjconv_8cpp_1ab70d4725699c0935e4847676027e7820\" kind=\"define\">\n+      <name>NPA</name>\n+    </member>\n+    <member refid=\"trjconv_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n+      <name>NFILE</name>\n+    </member>\n+    <member refid=\"trjconv_8cpp_1a629269f9c37c238d6eeac864c6b95457\" kind=\"function\">\n+      <name>mk_filenm</name>\n+    </member>\n+    <member refid=\"trjconv_8cpp_1a604e80a6138465ebed83fc0fa2c28426\" kind=\"function\">\n+      <name>check_trr</name>\n+    </member>\n+    <member refid=\"trjconv_8cpp_1a188a4a4c725191dbdff64a6cf6f86319\" kind=\"function\">\n+      <name>do_trunc</name>\n+    </member>\n+    <member refid=\"trjconv_8cpp_1a7deffd22a7085884343e6e3c81be8c0a\" kind=\"function\">\n+      <name>read_mtop_for_tng</name>\n+    </member>\n+    <member refid=\"trjconv_8cpp_1aede11562e4aafe998dcb33e023c3a0b7\" kind=\"function\">\n+      <name>copyTrxframeDeeply</name>\n+    </member>\n+    <member refid=\"trjconv_8cpp_1ac91dc616983ac214a56e67853755d456\" kind=\"function\">\n+      <name>swapFrames</name>\n+    </member>\n+    <member refid=\"trjconv_8cpp_1a038540cdbed36105ee2e83581665b579\" kind=\"function\">\n+      <name>gmx_trjconv</name>\n+    </member>\n+  </compound>\n   <compound refid=\"trjconv_8h\" kind=\"file\">\n     <name>trjconv.h</name>\n     <member refid=\"trjconv_8h_1a038540cdbed36105ee2e83581665b579\" kind=\"function\">\n       <name>gmx_trjconv</name>\n     </member>\n   </compound>\n   <compound refid=\"tune__pme_8cpp\" kind=\"file\">\n@@ -104639,14 +104603,44 @@\n     <member refid=\"forcefieldparameters_8cpp_1ae00c8c49a9f19126211ba38ea94519dd\" kind=\"function\">\n       <name>pr_cmap</name>\n     </member>\n     <member refid=\"forcefieldparameters_8cpp_1a6d318b70cd78b782f837e40ae624fba0\" kind=\"function\">\n       <name>pr_ffparams</name>\n     </member>\n   </compound>\n+  <compound refid=\"idef_8cpp\" kind=\"file\">\n+    <name>idef.cpp</name>\n+    <member refid=\"idef_8cpp_1ab76daf2b5f874890d3a95a67a05e353f\" kind=\"function\">\n+      <name>printHarmonicInteraction</name>\n+    </member>\n+    <member refid=\"idef_8cpp_1aea098a8eee7f26b0e54931400cd61298\" kind=\"function\">\n+      <name>pr_iparams</name>\n+    </member>\n+    <member refid=\"idef_8cpp_1a9dfb3c4d57d75cc461e208c79c416e69\" kind=\"function\">\n+      <name>printInteractionParameters</name>\n+    </member>\n+    <member refid=\"idef_8cpp_1aa752d64b3b6b8b5db7a4b0e35db47937\" kind=\"function\">\n+      <name>printIlist</name>\n+    </member>\n+    <member refid=\"idef_8cpp_1a5a992ee0578f6c561ea54899fdcd54a1\" kind=\"function\">\n+      <name>pr_ilist</name>\n+    </member>\n+    <member refid=\"idef_8cpp_1a62f429fee9ebd64fdd79a8bbd4caa103\" kind=\"function\">\n+      <name>pr_idef</name>\n+    </member>\n+    <member refid=\"idef_8cpp_1adfd1762f32f3bf987097b428abe2a117\" kind=\"function\">\n+      <name>init_idef</name>\n+    </member>\n+    <member refid=\"idef_8cpp_1a5532c9f574c29d1951513bd8ec557ecc\" kind=\"function\">\n+      <name>done_idef</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2idef_8cpp\" kind=\"file\">\n+    <name>idef.cpp</name>\n+  </compound>\n   <compound refid=\"ifunc_8cpp\" kind=\"file\">\n     <name>ifunc.cpp</name>\n     <member refid=\"ifunc_8cpp_1a32bf5474bb18ef9264d633812a0e8108\" kind=\"variable\">\n       <name>interaction_function</name>\n     </member>\n     <member refid=\"ifunc_8cpp_1af7c311b1db4244c6eab94e4228b2c9dc\" kind=\"function\">\n       <name>def_bonded</name>\n@@ -104969,43 +104963,64 @@\n     <member refid=\"residuetypes_8cpp_1ab4795aadf08f108272506fa3623a7d75\" kind=\"function\">\n       <name>namedResidueHasType</name>\n     </member>\n     <member refid=\"residuetypes_8cpp_1a168496e61d8f3f46126f9b618331ecfd\" kind=\"function\">\n       <name>typeOfNamedDatabaseResidue</name>\n     </member>\n   </compound>\n-  <compound refid=\"idef_8cpp\" kind=\"file\">\n-    <name>idef.cpp</name>\n-    <member refid=\"idef_8cpp_1ab76daf2b5f874890d3a95a67a05e353f\" kind=\"function\">\n-      <name>printHarmonicInteraction</name>\n+  <compound refid=\"symtab_8cpp\" kind=\"file\">\n+    <name>symtab.cpp</name>\n+    <member refid=\"symtab_8cpp_1a74545f5cb6cc89f617f17fc2ec35485c\" kind=\"variable\">\n+      <name>c_trimSize</name>\n     </member>\n-    <member refid=\"idef_8cpp_1aea098a8eee7f26b0e54931400cd61298\" kind=\"function\">\n-      <name>pr_iparams</name>\n+    <member refid=\"symtab_8cpp_1a08266f9d0206dd806544f9c1706cb328\" kind=\"variable\">\n+      <name>c_maxBufSize</name>\n     </member>\n-    <member refid=\"idef_8cpp_1a9dfb3c4d57d75cc461e208c79c416e69\" kind=\"function\">\n-      <name>printInteractionParameters</name>\n+    <member refid=\"symtab_8cpp_1a14c793043038dfc8081c875bcce99bb4\" kind=\"function\">\n+      <name>readStringTableEntry</name>\n     </member>\n-    <member refid=\"idef_8cpp_1aa752d64b3b6b8b5db7a4b0e35db47937\" kind=\"function\">\n-      <name>printIlist</name>\n+    <member refid=\"symtab_8cpp_1a0976922838fb894f0b77fefe538966e9\" kind=\"function\">\n+      <name>trim_string</name>\n     </member>\n-    <member refid=\"idef_8cpp_1a5a992ee0578f6c561ea54899fdcd54a1\" kind=\"function\">\n-      <name>pr_ilist</name>\n+    <member refid=\"symtab_8cpp_1a4602be41e095253a9e516b6d2359c978\" kind=\"function\">\n+      <name>lookup_symtab</name>\n     </member>\n-    <member refid=\"idef_8cpp_1a62f429fee9ebd64fdd79a8bbd4caa103\" kind=\"function\">\n-      <name>pr_idef</name>\n+    <member refid=\"symtab_8cpp_1a93dd26914c3871561eeee41a50634a9e\" kind=\"function\">\n+      <name>get_symtab_handle</name>\n     </member>\n-    <member refid=\"idef_8cpp_1adfd1762f32f3bf987097b428abe2a117\" kind=\"function\">\n-      <name>init_idef</name>\n+    <member refid=\"symtab_8cpp_1a0feed2adc1b92a1fbd27ae49aa48277f\" kind=\"function\">\n+      <name>new_symbuf</name>\n     </member>\n-    <member refid=\"idef_8cpp_1a5532c9f574c29d1951513bd8ec557ecc\" kind=\"function\">\n-      <name>done_idef</name>\n+    <member refid=\"symtab_8cpp_1a80f9415e3362c19c36c4027394979b5c\" kind=\"function\">\n+      <name>enter_buf</name>\n+    </member>\n+    <member refid=\"symtab_8cpp_1a377a8638008626830ced16bb07f9c3ba\" kind=\"function\">\n+      <name>put_symtab</name>\n+    </member>\n+    <member refid=\"symtab_8cpp_1ae00fb647f33d0a2ea330b2a3ca8e72c8\" kind=\"function\">\n+      <name>open_symtab</name>\n+    </member>\n+    <member refid=\"symtab_8cpp_1a8bec026a9d658a67686cea72bdcad9e2\" kind=\"function\">\n+      <name>close_symtab</name>\n+    </member>\n+    <member refid=\"symtab_8cpp_1a7a219947903b65355a4a3b5ab00079b4\" kind=\"function\">\n+      <name>duplicateSymtab</name>\n+    </member>\n+    <member refid=\"symtab_8cpp_1ab909195909d6dcccfdd0c94964751286\" kind=\"function\">\n+      <name>done_symtab</name>\n+    </member>\n+    <member refid=\"symtab_8cpp_1afe75b1d1a3c6ca738b0b464ab9d0c01a\" kind=\"function\">\n+      <name>free_symtab</name>\n+    </member>\n+    <member refid=\"symtab_8cpp_1ab145748767232adc88bc7ec9435cc5be\" kind=\"function\">\n+      <name>pr_symtab</name>\n     </member>\n   </compound>\n-  <compound refid=\"tests_2idef_8cpp\" kind=\"file\">\n-    <name>idef.cpp</name>\n+  <compound refid=\"tests_2symtab_8cpp\" kind=\"file\">\n+    <name>symtab.cpp</name>\n   </compound>\n   <compound refid=\"index_8cpp\" kind=\"file\">\n     <name>index.cpp</name>\n     <member refid=\"index_8cpp_1a2e0f10ad5bc6f3fa6207822ba138aab2\" kind=\"typedef\">\n       <name>t_gmx_help_make_index_group</name>\n     </member>\n     <member refid=\"index_8cpp_1adac980840e629a3e4cee75210ac855db\" kind=\"function\">\n@@ -105083,65 +105098,14 @@\n   </compound>\n   <compound refid=\"tests_2index_8cpp\" kind=\"file\">\n     <name>index.cpp</name>\n   </compound>\n   <compound refid=\"mtop_8cpp\" kind=\"file\">\n     <name>mtop.cpp</name>\n   </compound>\n-  <compound refid=\"symtab_8cpp\" kind=\"file\">\n-    <name>symtab.cpp</name>\n-    <member refid=\"symtab_8cpp_1a74545f5cb6cc89f617f17fc2ec35485c\" kind=\"variable\">\n-      <name>c_trimSize</name>\n-    </member>\n-    <member refid=\"symtab_8cpp_1a08266f9d0206dd806544f9c1706cb328\" kind=\"variable\">\n-      <name>c_maxBufSize</name>\n-    </member>\n-    <member refid=\"symtab_8cpp_1a14c793043038dfc8081c875bcce99bb4\" kind=\"function\">\n-      <name>readStringTableEntry</name>\n-    </member>\n-    <member refid=\"symtab_8cpp_1a0976922838fb894f0b77fefe538966e9\" kind=\"function\">\n-      <name>trim_string</name>\n-    </member>\n-    <member refid=\"symtab_8cpp_1a4602be41e095253a9e516b6d2359c978\" kind=\"function\">\n-      <name>lookup_symtab</name>\n-    </member>\n-    <member refid=\"symtab_8cpp_1a93dd26914c3871561eeee41a50634a9e\" kind=\"function\">\n-      <name>get_symtab_handle</name>\n-    </member>\n-    <member refid=\"symtab_8cpp_1a0feed2adc1b92a1fbd27ae49aa48277f\" kind=\"function\">\n-      <name>new_symbuf</name>\n-    </member>\n-    <member refid=\"symtab_8cpp_1a80f9415e3362c19c36c4027394979b5c\" kind=\"function\">\n-      <name>enter_buf</name>\n-    </member>\n-    <member refid=\"symtab_8cpp_1a377a8638008626830ced16bb07f9c3ba\" kind=\"function\">\n-      <name>put_symtab</name>\n-    </member>\n-    <member refid=\"symtab_8cpp_1ae00fb647f33d0a2ea330b2a3ca8e72c8\" kind=\"function\">\n-      <name>open_symtab</name>\n-    </member>\n-    <member refid=\"symtab_8cpp_1a8bec026a9d658a67686cea72bdcad9e2\" kind=\"function\">\n-      <name>close_symtab</name>\n-    </member>\n-    <member refid=\"symtab_8cpp_1a7a219947903b65355a4a3b5ab00079b4\" kind=\"function\">\n-      <name>duplicateSymtab</name>\n-    </member>\n-    <member refid=\"symtab_8cpp_1ab909195909d6dcccfdd0c94964751286\" kind=\"function\">\n-      <name>done_symtab</name>\n-    </member>\n-    <member refid=\"symtab_8cpp_1afe75b1d1a3c6ca738b0b464ab9d0c01a\" kind=\"function\">\n-      <name>free_symtab</name>\n-    </member>\n-    <member refid=\"symtab_8cpp_1ab145748767232adc88bc7ec9435cc5be\" kind=\"function\">\n-      <name>pr_symtab</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2symtab_8cpp\" kind=\"file\">\n-    <name>symtab.cpp</name>\n-  </compound>\n   <compound refid=\"tests_2topsort_8cpp\" kind=\"file\">\n     <name>topsort.cpp</name>\n   </compound>\n   <compound refid=\"topsort_8cpp\" kind=\"file\">\n     <name>topsort.cpp</name>\n     <member refid=\"topsort_8cpp_1a946b82bd3645f53a3ef0fc452cda3255\" kind=\"function\">\n       <name>ip_pert</name>\n@@ -105533,14 +105497,56 @@\n   </compound>\n   <compound refid=\"tests_2trajectory_8cpp\" kind=\"file\">\n     <name>trajectory.cpp</name>\n   </compound>\n   <compound refid=\"unionfind_8cpp\" kind=\"file\">\n     <name>unionfind.cpp</name>\n   </compound>\n+  <compound refid=\"domdec_2utility_8h\" kind=\"file\">\n+    <name>utility.h</name>\n+    <member refid=\"domdec_2utility_8h_1ad8be86df1243f4c4cf275e130ca8c6df\" kind=\"function\">\n+      <name>isDlbOn</name>\n+    </member>\n+    <member refid=\"domdec_2utility_8h_1ad57e700f3ebb0a127187ca3d1b0e8211\" kind=\"function\">\n+      <name>isDlbDisabled</name>\n+    </member>\n+    <member refid=\"domdec_2utility_8h_1a0e6754210d3da6c83df0026fac81c8d7\" kind=\"function\">\n+      <name>dim2char</name>\n+    </member>\n+    <member refid=\"domdec_2utility_8h_1a6f8a7f243efd91fe9555ab433ec54564\" kind=\"function\">\n+      <name>make_tric_corr_matrix</name>\n+    </member>\n+    <member refid=\"domdec_2utility_8h_1abf5bf826810f43d008e33df3fb2bdf1f\" kind=\"function\">\n+      <name>check_screw_box</name>\n+    </member>\n+    <member refid=\"domdec_2utility_8h_1a155480532c8a0a96130c1751c53cc868\" kind=\"function\">\n+      <name>ddGetAtomInfo</name>\n+    </member>\n+    <member refid=\"domdec_2utility_8h_1add55e8ee06aa3b942947af95265badec\" kind=\"function\">\n+      <name>dd_load_count</name>\n+    </member>\n+    <member refid=\"domdec_2utility_8h_1affcd5680a909d4f7e36a42b0c53c0a3b\" kind=\"function\">\n+      <name>dd_resize_atominfo_and_state</name>\n+    </member>\n+    <member refid=\"domdec_2utility_8h_1a348cc51cf67fa4a05a780abdf4643c69\" kind=\"function\">\n+      <name>atomToAtomIntoDomainToDomainCutoff</name>\n+    </member>\n+    <member refid=\"domdec_2utility_8h_1a5d94f58e6d190b2f9e30012f41cb65c2\" kind=\"function\">\n+      <name>domainToDomainIntoAtomToDomainCutoff</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"utility_8h\" kind=\"file\">\n+    <name>utility.h</name>\n+  </compound>\n+  <compound refid=\"alignedallocator_8cpp\" kind=\"file\">\n+    <name>alignedallocator.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2alignedallocator_8cpp\" kind=\"file\">\n+    <name>alignedallocator.cpp</name>\n+  </compound>\n   <compound refid=\"any_8cpp\" kind=\"file\">\n     <name>any.cpp</name>\n   </compound>\n   <compound refid=\"basenetwork_8cpp\" kind=\"file\">\n     <name>basenetwork.cpp</name>\n     <member refid=\"basenetwork_8cpp_1a0be63511ea9391dd2049b56d43a9e6a1\" kind=\"function\">\n       <name>gmx_mpi_initialized</name>\n@@ -105593,20 +105599,14 @@\n     <member refid=\"group__module__utility_1gaf01d1c3ad5c53222b309237e14009b97\" kind=\"variable\">\n       <name>gmxSourceDoiString</name>\n     </member>\n   </compound>\n   <compound refid=\"binaryinformation_8cpp\" kind=\"file\">\n     <name>binaryinformation.cpp</name>\n   </compound>\n-  <compound refid=\"booltype_8cpp\" kind=\"file\">\n-    <name>booltype.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2booltype_8cpp\" kind=\"file\">\n-    <name>booltype.cpp</name>\n-  </compound>\n   <compound refid=\"compare_8cpp\" kind=\"file\">\n     <name>compare.cpp</name>\n     <member refid=\"compare_8cpp_1a1e519a5d570e44d59de87a99c1850319\" kind=\"function\">\n       <name>cmp_int</name>\n     </member>\n     <member refid=\"compare_8cpp_1a3b847f3e43f4505e069444afc4d9afa0\" kind=\"function\">\n       <name>cmp_int64</name>\n@@ -105641,83 +105641,14 @@\n     <member refid=\"compare_8cpp_1abcdecc58d66dc4f819b609f1cc3cc401\" kind=\"function\">\n       <name>cmp_double</name>\n     </member>\n   </compound>\n   <compound refid=\"coolstuff_8cpp\" kind=\"file\">\n     <name>coolstuff.cpp</name>\n   </compound>\n-  <compound refid=\"cstringutil_8cpp\" kind=\"file\">\n-    <name>cstringutil.cpp</name>\n-    <member refid=\"cstringutil_8cpp_1a15be34a1d7b93d10f581b60833afca7a\" kind=\"define\">\n-      <name>COMMENTSIGN</name>\n-    </member>\n-    <member refid=\"cstringutil_8cpp_1a929ed36fc580abd4984ae5500adbf9c3\" kind=\"variable\">\n-      <name>gmx_string_hash_init</name>\n-    </member>\n-    <member refid=\"cstringutil_8cpp_1ac103ab2c7ce56d62340d2f351142ccab\" kind=\"function\">\n-      <name>continuing</name>\n-    </member>\n-    <member refid=\"cstringutil_8cpp_1ab5baa0cb25460e553b14bbe949db836d\" kind=\"function\">\n-      <name>fgets2</name>\n-    </member>\n-    <member refid=\"cstringutil_8cpp_1a4371bd7d8210d09a110b9642b42b7e7f\" kind=\"function\">\n-      <name>strip_comment</name>\n-    </member>\n-    <member refid=\"cstringutil_8cpp_1a74173c7afe5600452edf4956ae58bbe8\" kind=\"function\">\n-      <name>upstring</name>\n-    </member>\n-    <member refid=\"cstringutil_8cpp_1a1d9ff13ca6fbfeed019ff8459a2d7b27\" kind=\"function\">\n-      <name>ltrim</name>\n-    </member>\n-    <member refid=\"cstringutil_8cpp_1a36c31afc53e5a1e87177eff988d6d17e\" kind=\"function\">\n-      <name>rtrim</name>\n-    </member>\n-    <member refid=\"cstringutil_8cpp_1a60ea663401e86ca2a60a29e76c716679\" kind=\"function\">\n-      <name>trim</name>\n-    </member>\n-    <member refid=\"cstringutil_8cpp_1ac088a6356a03b85a516823c77e8bf594\" kind=\"function\">\n-      <name>gmx_strcasecmp_min</name>\n-    </member>\n-    <member refid=\"cstringutil_8cpp_1aa2ea251cda429a6f437ee9c5a5746590\" kind=\"function\">\n-      <name>gmx_strncasecmp_min</name>\n-    </member>\n-    <member refid=\"cstringutil_8cpp_1a6b201e0b9f999f296778a437ac6249d4\" kind=\"function\">\n-      <name>gmx_strcasecmp</name>\n-    </member>\n-    <member refid=\"cstringutil_8cpp_1ab7c80209718acf9845ef30405b612d25\" kind=\"function\">\n-      <name>gmx_strncasecmp</name>\n-    </member>\n-    <member refid=\"cstringutil_8cpp_1a9dbd0680649d173b25d3fcf5b3712735\" kind=\"function\">\n-      <name>gmx_strdup</name>\n-    </member>\n-    <member refid=\"cstringutil_8cpp_1afcdf6344abcde28548035e1f1aa89130\" kind=\"function\">\n-      <name>gmx_strndup</name>\n-    </member>\n-    <member refid=\"cstringutil_8cpp_1a8f29e4714f3618996df11a09fbdf820e\" kind=\"function\">\n-      <name>gmx_string_fullhash_func</name>\n-    </member>\n-    <member refid=\"cstringutil_8cpp_1a7551c37dbac76a247a4305b3bea52f0c\" kind=\"function\">\n-      <name>gmx_string_hash_func</name>\n-    </member>\n-    <member refid=\"cstringutil_8cpp_1ae5242279c5f96040a36162574dc97d0c\" kind=\"function\">\n-      <name>gmx_wcmatch</name>\n-    </member>\n-    <member refid=\"cstringutil_8cpp_1ab28494c2dbe6af285a0f930e6d9a6507\" kind=\"function\">\n-      <name>wrap_lines</name>\n-    </member>\n-    <member refid=\"cstringutil_8cpp_1a2ef37814d13359d7fa2754f0e862b0b1\" kind=\"function\">\n-      <name>str_to_int64_t</name>\n-    </member>\n-    <member refid=\"cstringutil_8cpp_1aa39cb5a5e24425c1eb1c13021ed2ba44\" kind=\"function\">\n-      <name>gmx_step_str</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2cstringutil_8cpp\" kind=\"file\">\n-    <name>cstringutil.cpp</name>\n-  </compound>\n   <compound refid=\"cuda__version__information_8h\" kind=\"file\">\n     <name>cuda_version_information.h</name>\n   </compound>\n   <compound refid=\"datafilefinder_8cpp\" kind=\"file\">\n     <name>datafilefinder.cpp</name>\n   </compound>\n   <compound refid=\"directoryenumerator_8cpp\" kind=\"file\">\n@@ -105962,14 +105893,74 @@\n     <member refid=\"basenetwork_8h_1a856663c2fa6ff9a42b99facd16ecba7f\" kind=\"function\">\n       <name>gmx_abort</name>\n     </member>\n   </compound>\n   <compound refid=\"binaryinformation_8h\" kind=\"file\">\n     <name>binaryinformation.h</name>\n   </compound>\n+  <compound refid=\"include_2gromacs_2utility_2bitmask_8h\" kind=\"file\">\n+    <name>bitmask.h</name>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1ac010424c8bddcebd86a1b763e4b45b1e\" kind=\"define\">\n+      <name>BITMASK_SIZE</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a36d974770db6f000fa22d11ec2e703ae\" kind=\"typedef\">\n+      <name>gmx_bitmask_t</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a18f53c59e5ef4fe3f1b1a649da01fd0a\" kind=\"function\">\n+      <name>bitmask_clear</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a5168231ad0b5853459cb773289746f17\" kind=\"function\">\n+      <name>bitmask_set_bit</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1ac5dd57fcf554ecadf7f009008e33be8b\" kind=\"function\">\n+      <name>bitmask_init_bit</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a7ff662ac524c3f80cfa909c40e337eec\" kind=\"function\">\n+      <name>bitmask_init_low_bits</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a0393c9b4ae7479b8a94175ca824da638\" kind=\"function\">\n+      <name>bitmask_is_set</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a8f44d71faaedd70fca3d13deeb28e184\" kind=\"function\">\n+      <name>bitmask_is_disjoint</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1aaa9e0bc87b7c9a5c374df77c89c1a831\" kind=\"function\">\n+      <name>bitmask_is_equal</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a401f50b66873e8949399a4a4a7e5a7e0\" kind=\"function\">\n+      <name>bitmask_is_zero</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a493dcf3cd86ca6ae1bdb530c1e1da513\" kind=\"function\">\n+      <name>bitmask_union</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a9779f1aa514f38cfb6c4fa651ab0cf85\" kind=\"function\">\n+      <name>to_hex_string</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a205d4d90d896181906c7ee156f92d905\" kind=\"function\">\n+      <name>to_hex_string</name>\n+    </member>\n+    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1abc49e90631d64a92cf4e3e3bc8961abc\" kind=\"function\">\n+      <name>to_hex_string</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2bitmask_8h\" kind=\"file\">\n+    <name>bitmask.h</name>\n+    <member refid=\"tests_2bitmask_8h_1aa4a16ee87fdc3d8eec077e2ee58cfd8c\" kind=\"define\">\n+      <name>BITMASK_CLASSNAME_</name>\n+    </member>\n+    <member refid=\"tests_2bitmask_8h_1ae98c2c3acbcaf4cebce8326e3ad682cb\" kind=\"define\">\n+      <name>BITMASK_CLASSNAME</name>\n+    </member>\n+    <member refid=\"tests_2bitmask_8h_1ac9fd19466a21d6fe2ef034facd484683\" kind=\"define\">\n+      <name>BITMASK_TEST_P_</name>\n+    </member>\n+    <member refid=\"tests_2bitmask_8h_1a11f46d475da3b27c761458a85876ed82\" kind=\"define\">\n+      <name>BITMASK_TEST_P</name>\n+    </member>\n+  </compound>\n   <compound refid=\"booltype_8h\" kind=\"file\">\n     <name>booltype.h</name>\n   </compound>\n   <compound refid=\"compare_8h\" kind=\"file\">\n     <name>compare.h</name>\n     <member refid=\"compare_8h_1ad40ca9a553b3ccef4e8b0333186bab03\" kind=\"function\">\n       <name>equal_real</name>\n@@ -106406,43 +106397,70 @@\n   </compound>\n   <compound refid=\"typetraits_8h\" kind=\"file\">\n     <name>typetraits.h</name>\n   </compound>\n   <compound refid=\"init_8cpp\" kind=\"file\">\n     <name>init.cpp</name>\n   </compound>\n+  <compound refid=\"inmemoryserializer_8cpp\" kind=\"file\">\n+    <name>inmemoryserializer.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2inmemoryserializer_8cpp\" kind=\"file\">\n+    <name>inmemoryserializer.cpp</name>\n+  </compound>\n   <compound refid=\"int64__to__int_8cpp\" kind=\"file\">\n     <name>int64_to_int.cpp</name>\n     <member refid=\"int64__to__int_8cpp_1ab92665612f143c0333490cc3522d193e\" kind=\"function\">\n       <name>int64_to_int</name>\n     </member>\n   </compound>\n   <compound refid=\"keyvaluetree_8cpp\" kind=\"file\">\n     <name>keyvaluetree.cpp</name>\n   </compound>\n   <compound refid=\"keyvaluetreemdpwriter_8cpp\" kind=\"file\">\n     <name>keyvaluetreemdpwriter.cpp</name>\n   </compound>\n+  <compound refid=\"keyvaluetreeserializer_8cpp\" kind=\"file\">\n+    <name>keyvaluetreeserializer.cpp</name>\n+    <member refid=\"keyvaluetreeserializer_8cpp_1ad48ff27bd039835178a6bd8f572c831f\" kind=\"define\">\n+      <name>SERIALIZER</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2keyvaluetreeserializer_8cpp\" kind=\"file\">\n+    <name>keyvaluetreeserializer.cpp</name>\n+  </compound>\n+  <compound refid=\"keyvaluetreetransform_8cpp\" kind=\"file\">\n+    <name>keyvaluetreetransform.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2keyvaluetreetransform_8cpp\" kind=\"file\">\n+    <name>keyvaluetreetransform.cpp</name>\n+  </compound>\n   <compound refid=\"loggerbuilder_8cpp\" kind=\"file\">\n     <name>loggerbuilder.cpp</name>\n   </compound>\n+  <compound refid=\"message__string__collector_8cpp\" kind=\"file\">\n+    <name>message_string_collector.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2message__string__collector_8cpp\" kind=\"file\">\n+    <name>message_string_collector.cpp</name>\n+  </compound>\n   <compound refid=\"mpiinfo_8cpp\" kind=\"file\">\n     <name>mpiinfo.cpp</name>\n   </compound>\n   <compound refid=\"niceheader_8cpp\" kind=\"file\">\n     <name>niceheader.cpp</name>\n   </compound>\n   <compound refid=\"nodelete_8h\" kind=\"file\">\n     <name>nodelete.h</name>\n   </compound>\n-  <compound refid=\"physicalnodecommunicator_8cpp\" kind=\"file\">\n-    <name>physicalnodecommunicator.cpp</name>\n+  <compound refid=\"path_8cpp\" kind=\"file\">\n+    <name>path.cpp</name>\n   </compound>\n-  <compound refid=\"tests_2physicalnodecommunicator_8cpp\" kind=\"file\">\n-    <name>physicalnodecommunicator.cpp</name>\n+  <compound refid=\"tests_2path_8cpp\" kind=\"file\">\n+    <name>path.cpp</name>\n   </compound>\n   <compound refid=\"pleasecite_8cpp\" kind=\"file\">\n     <name>pleasecite.cpp</name>\n     <member refid=\"pleasecite_8cpp_1a32d93b9a0ad6e541b08f40f64bda5f4b\" kind=\"define\">\n       <name>NSTR</name>\n     </member>\n     <member refid=\"pleasecite_8cpp_1a330fea445f643d2b44bd1c08022d1cb1\" kind=\"variable\">\n@@ -106541,154 +106559,136 @@\n     <member refid=\"group__module__utility_1ga447d4d48064efaaa8ee438b3e5d0f676\" kind=\"function\">\n       <name>gmx_format_current_time</name>\n     </member>\n     <member refid=\"group__module__utility_1gac2072a6edde816d91e0bf12ca016f3b4\" kind=\"function\">\n       <name>gmx_set_nice</name>\n     </member>\n   </compound>\n-  <compound refid=\"alignedallocator_8cpp\" kind=\"file\">\n-    <name>alignedallocator.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2alignedallocator_8cpp\" kind=\"file\">\n-    <name>alignedallocator.cpp</name>\n-  </compound>\n   <compound refid=\"alignedallocator__impl_8h\" kind=\"file\">\n     <name>alignedallocator_impl.h</name>\n   </compound>\n   <compound refid=\"arrayref_8cpp\" kind=\"file\">\n     <name>arrayref.cpp</name>\n   </compound>\n-  <compound refid=\"include_2gromacs_2utility_2bitmask_8h\" kind=\"file\">\n-    <name>bitmask.h</name>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1ac010424c8bddcebd86a1b763e4b45b1e\" kind=\"define\">\n+  <compound refid=\"bitmask128_8cpp\" kind=\"file\">\n+    <name>bitmask128.cpp</name>\n+    <member refid=\"bitmask128_8cpp_1ac010424c8bddcebd86a1b763e4b45b1e\" kind=\"define\">\n       <name>BITMASK_SIZE</name>\n     </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a36d974770db6f000fa22d11ec2e703ae\" kind=\"typedef\">\n-      <name>gmx_bitmask_t</name>\n+  </compound>\n+  <compound refid=\"bitmask32_8cpp\" kind=\"file\">\n+    <name>bitmask32.cpp</name>\n+    <member refid=\"bitmask32_8cpp_1ac010424c8bddcebd86a1b763e4b45b1e\" kind=\"define\">\n+      <name>BITMASK_SIZE</name>\n     </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a18f53c59e5ef4fe3f1b1a649da01fd0a\" kind=\"function\">\n-      <name>bitmask_clear</name>\n+  </compound>\n+  <compound refid=\"bitmask64_8cpp\" kind=\"file\">\n+    <name>bitmask64.cpp</name>\n+    <member refid=\"bitmask64_8cpp_1ac010424c8bddcebd86a1b763e4b45b1e\" kind=\"define\">\n+      <name>BITMASK_SIZE</name>\n     </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a5168231ad0b5853459cb773289746f17\" kind=\"function\">\n-      <name>bitmask_set_bit</name>\n+  </compound>\n+  <compound refid=\"booltype_8cpp\" kind=\"file\">\n+    <name>booltype.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2booltype_8cpp\" kind=\"file\">\n+    <name>booltype.cpp</name>\n+  </compound>\n+  <compound refid=\"cstringutil_8cpp\" kind=\"file\">\n+    <name>cstringutil.cpp</name>\n+    <member refid=\"cstringutil_8cpp_1a15be34a1d7b93d10f581b60833afca7a\" kind=\"define\">\n+      <name>COMMENTSIGN</name>\n     </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1ac5dd57fcf554ecadf7f009008e33be8b\" kind=\"function\">\n-      <name>bitmask_init_bit</name>\n+    <member refid=\"cstringutil_8cpp_1a929ed36fc580abd4984ae5500adbf9c3\" kind=\"variable\">\n+      <name>gmx_string_hash_init</name>\n     </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a7ff662ac524c3f80cfa909c40e337eec\" kind=\"function\">\n-      <name>bitmask_init_low_bits</name>\n+    <member refid=\"cstringutil_8cpp_1ac103ab2c7ce56d62340d2f351142ccab\" kind=\"function\">\n+      <name>continuing</name>\n     </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a0393c9b4ae7479b8a94175ca824da638\" kind=\"function\">\n-      <name>bitmask_is_set</name>\n+    <member refid=\"cstringutil_8cpp_1ab5baa0cb25460e553b14bbe949db836d\" kind=\"function\">\n+      <name>fgets2</name>\n     </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a8f44d71faaedd70fca3d13deeb28e184\" kind=\"function\">\n-      <name>bitmask_is_disjoint</name>\n+    <member refid=\"cstringutil_8cpp_1a4371bd7d8210d09a110b9642b42b7e7f\" kind=\"function\">\n+      <name>strip_comment</name>\n     </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1aaa9e0bc87b7c9a5c374df77c89c1a831\" kind=\"function\">\n-      <name>bitmask_is_equal</name>\n+    <member refid=\"cstringutil_8cpp_1a74173c7afe5600452edf4956ae58bbe8\" kind=\"function\">\n+      <name>upstring</name>\n     </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a401f50b66873e8949399a4a4a7e5a7e0\" kind=\"function\">\n-      <name>bitmask_is_zero</name>\n+    <member refid=\"cstringutil_8cpp_1a1d9ff13ca6fbfeed019ff8459a2d7b27\" kind=\"function\">\n+      <name>ltrim</name>\n     </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a493dcf3cd86ca6ae1bdb530c1e1da513\" kind=\"function\">\n-      <name>bitmask_union</name>\n+    <member refid=\"cstringutil_8cpp_1a36c31afc53e5a1e87177eff988d6d17e\" kind=\"function\">\n+      <name>rtrim</name>\n     </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a9779f1aa514f38cfb6c4fa651ab0cf85\" kind=\"function\">\n-      <name>to_hex_string</name>\n+    <member refid=\"cstringutil_8cpp_1a60ea663401e86ca2a60a29e76c716679\" kind=\"function\">\n+      <name>trim</name>\n     </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a205d4d90d896181906c7ee156f92d905\" kind=\"function\">\n-      <name>to_hex_string</name>\n+    <member refid=\"cstringutil_8cpp_1ac088a6356a03b85a516823c77e8bf594\" kind=\"function\">\n+      <name>gmx_strcasecmp_min</name>\n     </member>\n-    <member refid=\"include_2gromacs_2utility_2bitmask_8h_1abc49e90631d64a92cf4e3e3bc8961abc\" kind=\"function\">\n-      <name>to_hex_string</name>\n+    <member refid=\"cstringutil_8cpp_1aa2ea251cda429a6f437ee9c5a5746590\" kind=\"function\">\n+      <name>gmx_strncasecmp_min</name>\n     </member>\n-  </compound>\n-  <compound refid=\"tests_2bitmask_8h\" kind=\"file\">\n-    <name>bitmask.h</name>\n-    <member refid=\"tests_2bitmask_8h_1aa4a16ee87fdc3d8eec077e2ee58cfd8c\" kind=\"define\">\n-      <name>BITMASK_CLASSNAME_</name>\n+    <member refid=\"cstringutil_8cpp_1a6b201e0b9f999f296778a437ac6249d4\" kind=\"function\">\n+      <name>gmx_strcasecmp</name>\n     </member>\n-    <member refid=\"tests_2bitmask_8h_1ae98c2c3acbcaf4cebce8326e3ad682cb\" kind=\"define\">\n-      <name>BITMASK_CLASSNAME</name>\n+    <member refid=\"cstringutil_8cpp_1ab7c80209718acf9845ef30405b612d25\" kind=\"function\">\n+      <name>gmx_strncasecmp</name>\n     </member>\n-    <member refid=\"tests_2bitmask_8h_1ac9fd19466a21d6fe2ef034facd484683\" kind=\"define\">\n-      <name>BITMASK_TEST_P_</name>\n+    <member refid=\"cstringutil_8cpp_1a9dbd0680649d173b25d3fcf5b3712735\" kind=\"function\">\n+      <name>gmx_strdup</name>\n     </member>\n-    <member refid=\"tests_2bitmask_8h_1a11f46d475da3b27c761458a85876ed82\" kind=\"define\">\n-      <name>BITMASK_TEST_P</name>\n+    <member refid=\"cstringutil_8cpp_1afcdf6344abcde28548035e1f1aa89130\" kind=\"function\">\n+      <name>gmx_strndup</name>\n     </member>\n-  </compound>\n-  <compound refid=\"bitmask128_8cpp\" kind=\"file\">\n-    <name>bitmask128.cpp</name>\n-    <member refid=\"bitmask128_8cpp_1ac010424c8bddcebd86a1b763e4b45b1e\" kind=\"define\">\n-      <name>BITMASK_SIZE</name>\n+    <member refid=\"cstringutil_8cpp_1a8f29e4714f3618996df11a09fbdf820e\" kind=\"function\">\n+      <name>gmx_string_fullhash_func</name>\n     </member>\n-  </compound>\n-  <compound refid=\"bitmask32_8cpp\" kind=\"file\">\n-    <name>bitmask32.cpp</name>\n-    <member refid=\"bitmask32_8cpp_1ac010424c8bddcebd86a1b763e4b45b1e\" kind=\"define\">\n-      <name>BITMASK_SIZE</name>\n+    <member refid=\"cstringutil_8cpp_1a7551c37dbac76a247a4305b3bea52f0c\" kind=\"function\">\n+      <name>gmx_string_hash_func</name>\n     </member>\n-  </compound>\n-  <compound refid=\"bitmask64_8cpp\" kind=\"file\">\n-    <name>bitmask64.cpp</name>\n-    <member refid=\"bitmask64_8cpp_1ac010424c8bddcebd86a1b763e4b45b1e\" kind=\"define\">\n-      <name>BITMASK_SIZE</name>\n+    <member refid=\"cstringutil_8cpp_1ae5242279c5f96040a36162574dc97d0c\" kind=\"function\">\n+      <name>gmx_wcmatch</name>\n+    </member>\n+    <member refid=\"cstringutil_8cpp_1ab28494c2dbe6af285a0f930e6d9a6507\" kind=\"function\">\n+      <name>wrap_lines</name>\n+    </member>\n+    <member refid=\"cstringutil_8cpp_1a2ef37814d13359d7fa2754f0e862b0b1\" kind=\"function\">\n+      <name>str_to_int64_t</name>\n+    </member>\n+    <member refid=\"cstringutil_8cpp_1aa39cb5a5e24425c1eb1c13021ed2ba44\" kind=\"function\">\n+      <name>gmx_step_str</name>\n     </member>\n   </compound>\n+  <compound refid=\"tests_2cstringutil_8cpp\" kind=\"file\">\n+    <name>cstringutil.cpp</name>\n+  </compound>\n   <compound refid=\"defaultinitializationallocator_8cpp\" kind=\"file\">\n     <name>defaultinitializationallocator.cpp</name>\n   </compound>\n   <compound refid=\"enumerationhelpers_8cpp\" kind=\"file\">\n     <name>enumerationhelpers.cpp</name>\n   </compound>\n   <compound refid=\"fixedcapacityvector_8cpp\" kind=\"file\">\n     <name>fixedcapacityvector.cpp</name>\n   </compound>\n-  <compound refid=\"inmemoryserializer_8cpp\" kind=\"file\">\n-    <name>inmemoryserializer.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2inmemoryserializer_8cpp\" kind=\"file\">\n-    <name>inmemoryserializer.cpp</name>\n-  </compound>\n-  <compound refid=\"keyvaluetreeserializer_8cpp\" kind=\"file\">\n-    <name>keyvaluetreeserializer.cpp</name>\n-    <member refid=\"keyvaluetreeserializer_8cpp_1ad48ff27bd039835178a6bd8f572c831f\" kind=\"define\">\n-      <name>SERIALIZER</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2keyvaluetreeserializer_8cpp\" kind=\"file\">\n-    <name>keyvaluetreeserializer.cpp</name>\n-  </compound>\n-  <compound refid=\"keyvaluetreetransform_8cpp\" kind=\"file\">\n-    <name>keyvaluetreetransform.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2keyvaluetreetransform_8cpp\" kind=\"file\">\n-    <name>keyvaluetreetransform.cpp</name>\n-  </compound>\n   <compound refid=\"listoflists_8cpp\" kind=\"file\">\n     <name>listoflists.cpp</name>\n   </compound>\n   <compound refid=\"logger_8cpp\" kind=\"file\">\n     <name>logger.cpp</name>\n   </compound>\n   <compound refid=\"tests_2logger_8cpp\" kind=\"file\">\n     <name>logger.cpp</name>\n   </compound>\n-  <compound refid=\"message__string__collector_8cpp\" kind=\"file\">\n-    <name>message_string_collector.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2message__string__collector_8cpp\" kind=\"file\">\n-    <name>message_string_collector.cpp</name>\n-  </compound>\n-  <compound refid=\"path_8cpp\" kind=\"file\">\n-    <name>path.cpp</name>\n+  <compound refid=\"physicalnodecommunicator_8cpp\" kind=\"file\">\n+    <name>physicalnodecommunicator.cpp</name>\n   </compound>\n-  <compound refid=\"tests_2path_8cpp\" kind=\"file\">\n-    <name>path.cpp</name>\n+  <compound refid=\"tests_2physicalnodecommunicator_8cpp\" kind=\"file\">\n+    <name>physicalnodecommunicator.cpp</name>\n   </compound>\n   <compound refid=\"physicalnodecommunicator__mpi_8cpp\" kind=\"file\">\n     <name>physicalnodecommunicator_mpi.cpp</name>\n   </compound>\n   <compound refid=\"range_8cpp\" kind=\"file\">\n     <name>range.cpp</name>\n   </compound>\n@@ -106796,14 +106796,20 @@\n   </compound>\n   <compound refid=\"mdrun_8cpp\" kind=\"file\">\n     <name>mdrun.cpp</name>\n   </compound>\n   <compound refid=\"mdrun__main_8h\" kind=\"file\">\n     <name>mdrun_main.h</name>\n   </compound>\n+  <compound refid=\"nonbonded__bench_8cpp\" kind=\"file\">\n+    <name>nonbonded_bench.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2nonbonded__bench_8cpp\" kind=\"file\">\n+    <name>nonbonded_bench.cpp</name>\n+  </compound>\n   <compound refid=\"nonbonded__bench_8h\" kind=\"file\">\n     <name>nonbonded_bench.h</name>\n   </compound>\n   <compound refid=\"gromacs_2mdlib_2boxdeformation_8cpp\" kind=\"file\">\n     <name>boxdeformation.cpp</name>\n   </compound>\n   <compound refid=\"programs_2mdrun_2tests_2boxdeformation_8cpp\" kind=\"file\">\n@@ -107573,20 +107579,14 @@\n   </compound>\n   <compound refid=\"multisimtest_8cpp\" kind=\"file\">\n     <name>multisimtest.cpp</name>\n   </compound>\n   <compound refid=\"multisimtest_8h\" kind=\"file\">\n     <name>multisimtest.h</name>\n   </compound>\n-  <compound refid=\"nonbonded__bench_8cpp\" kind=\"file\">\n-    <name>nonbonded_bench.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2nonbonded__bench_8cpp\" kind=\"file\">\n-    <name>nonbonded_bench.cpp</name>\n-  </compound>\n   <compound refid=\"normalmodes_8cpp\" kind=\"file\">\n     <name>normalmodes.cpp</name>\n   </compound>\n   <compound refid=\"gromacs_2listed__forces_2orires_8cpp\" kind=\"file\">\n     <name>orires.cpp</name>\n     <member refid=\"gromacs_2listed__forces_2orires_8cpp_1abe609db700113be61cf5c7c953d16e08\" kind=\"function\">\n       <name>extendStateWithOriresHistory</name>\n"}]}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/xml/todo.xml.gz", "source2": "./usr/share/doc/gromacs/html/doxygen/xml/todo.xml.gz", "unified_diff": null, "details": [{"source1": "todo.xml", "source2": "todo.xml", "unified_diff": null, "details": [{"source1": "todo.xml", "source2": "todo.xml", "unified_diff": "@@ -465,15 +465,15 @@\n               <anchor id=\"todo_1_todo000061\"/>\n               : Check if errors do propagate in OpenCL as they do in CUDA and whether there is a mechanism to &quot;clear&quot; them.\n             </para>\n           </listitem>\n           <varlistentry>\n             <term>\n               Member\n-              <ref refid=\"expfit_8cpp_1a560ea7d97277b9e0576776ec695fb9b3\" kindref=\"member\">fit_acf</ref>\n+              <ref refid=\"expfit_8h_1a560ea7d97277b9e0576776ec695fb9b3\" kindref=\"member\">fit_acf</ref>\n               (int ncorr, int fitfn, const\n               <ref refid=\"structgmx__output__env__t\" kindref=\"compound\">gmx_output_env_t</ref>\n               *oenv, gmx_bool bVerbose, real tbeginfit, real tendfit, real dt, real c1[], real *fit)\n             </term>\n           </varlistentry>\n           <listitem>\n             <para>\n@@ -2663,15 +2663,15 @@\n               <anchor id=\"todo_1_todo000152\"/>\n               Change this to class\n             </para>\n           </listitem>\n           <varlistentry>\n             <term>\n               Member\n-              <ref refid=\"pme_8cpp_1a39e800d9a258e0c8a553fa7b71e10dcf\" kindref=\"member\">gmx_pme_init</ref>\n+              <ref refid=\"pme_8h_1a39e800d9a258e0c8a553fa7b71e10dcf\" kindref=\"member\">gmx_pme_init</ref>\n               (const\n               <ref refid=\"structt__commrec\" kindref=\"compound\">t_commrec</ref>\n               *cr, const\n               <ref refid=\"structNumPmeDomains\" kindref=\"compound\">NumPmeDomains</ref>\n               &amp;numPmeDomains, const\n               <ref refid=\"structt__inputrec\" kindref=\"compound\">t_inputrec</ref>\n               *ir, const matrix box, real haloExtentForAtomDisplacement, gmx_bool bFreeEnergy_q, gmx_bool bFreeEnergy_lj, gmx_bool bReproducible, real ewaldcoeff_q, real ewaldcoeff_lj, int nthread, PmeRunMode runMode,\n@@ -3202,15 +3202,15 @@\n               <ndash/>\n               renaming coefficients to charges (?)\n             </para>\n           </listitem>\n           <varlistentry>\n             <term>\n               Member\n-              <ref refid=\"pme_8cpp_1a9cfbe9fa691aabaf1a9e10fa06858c96\" kindref=\"member\">pme_run_mode</ref>\n+              <ref refid=\"pme_8h_1a9cfbe9fa691aabaf1a9e10fa06858c96\" kindref=\"member\">pme_run_mode</ref>\n               (const gmx_pme_t *pme)\n             </term>\n           </varlistentry>\n           <listitem>\n             <para>\n               <anchor id=\"todo_1_todo000025\"/>\n               This is a rather static data that should be managed by the higher level task scheduler.\n"}]}]}, {"source1": "./usr/share/doc/gromacs/html/manual-2025.0-beta-Debian_2025.0~beta_1.pdf", "source2": "./usr/share/doc/gromacs/html/manual-2025.0-beta-Debian_2025.0~beta_1.pdf", "unified_diff": null, "details": [{"source1": "pdftotext {} -", "source2": "pdftotext {} -", "unified_diff": "@@ -17651,15 +17651,15 @@\n Lindahl, Erik Marklund, Pieter Meulenhoff, Teemu Murtola, Sander Pronk, Alfons Sijbers, Balint Soproni, David\n van der Spoel, Peter Tieleman, Carsten Uphoff, Jon Vincent, Teemu Virolainen, Christian Wennberg, Maarten\n Wolf, Artem Zhmurov\n Project leaders: Berk Hess, Erik Lindahl\n \u00a9 1991 \u2013 2000:\n Department of Biophysical Chemistry, University of Groningen. Nijenborgh 4, 9747 AG Groningen,\n The Netherlands.\n-\u00a9 2001 \u2013 2026:\n+\u00a9 2001 \u2013 2024:\n The GROMACS development teams at the Royal Institute of Technology and Uppsala University,\n Sweden.\n This manual is not complete and has no pretension to be so, due to lack of time of the contributors \u2013 our first\n priority is to improve the software. It is worked on continuously, which in some cases might mean the information\n is not entirely correct.\n Comments on form and content are welcome, please send them to the user discussion forum or the developer\n discussion forum (see our webpage or this section on how to contribute (page 595)), or open an issue on our issue\n"}]}, {"source1": "./usr/share/doc/gromacs/html/reference-manual/preface.html", "source2": "./usr/share/doc/gromacs/html/reference-manual/preface.html", "has_internal_linenos": true, "unified_diff": "@@ -4454,15 +4454,15 @@\n 00011650: 2055 6e69 7665 7273 6974 7920 6f66 2047   University of G\n 00011660: 726f 6e69 6e67 656e 2e0a 4e69 6a65 6e62  roningen..Nijenb\n 00011670: 6f72 6768 2034 2c20 3937 3437 2041 4720  orgh 4, 9747 AG \n 00011680: 4772 6f6e 696e 6765 6e2c 2054 6865 204e  Groningen, The N\n 00011690: 6574 6865 726c 616e 6473 2e3c 2f70 3e0a  etherlands.</p>.\n 000116a0: 3c2f 6469 763e 3c2f 626c 6f63 6b71 756f  </div></blockquo\n 000116b0: 7465 3e0a 3c70 3ec2 a920 3230 3031 20e2  te>.<p>.. 2001 .\n-000116c0: 8093 2032 3032 363a 3c2f 703e 0a3c 626c  .. 2026:</p>.<bl\n+000116c0: 8093 2032 3032 343a 3c2f 703e 0a3c 626c  .. 2024:</p>.<bl\n 000116d0: 6f63 6b71 756f 7465 3e0a 3c64 6976 3e3c  ockquote>.<div><\n 000116e0: 703e 5468 6520 4752 4f4d 4143 5320 6465  p>The GROMACS de\n 000116f0: 7665 6c6f 706d 656e 7420 7465 616d 7320  velopment teams \n 00011700: 6174 2074 6865 2052 6f79 616c 2049 6e73  at the Royal Ins\n 00011710: 7469 7475 7465 206f 6620 5465 6368 6e6f  titute of Techno\n 00011720: 6c6f 6779 2061 6e64 0a55 7070 7361 6c61  logy and.Uppsala\n 00011730: 2055 6e69 7665 7273 6974 792c 2053 7765   University, Swe\n", "details": [{"source1": "html2text {}", "source2": "html2text {}", "unified_diff": "@@ -456,15 +456,15 @@\n Lindahl, Erik Marklund, Pieter Meulenhoff, Teemu Murtola, Sander Pronk, Alfons\n Sijbers, Balint Soproni, David van der Spoel, Peter Tieleman, Carsten Uphoff,\n Jon Vincent, Teemu Virolainen, Christian Wennberg, Maarten Wolf, Artem Zhmurov\n Project leaders: Berk Hess, Erik Lindahl\n \u00a9 1991 \u2013 2000:\n      Department of Biophysical Chemistry, University of Groningen.\n      Nijenborgh 4, 9747 AG Groningen, The Netherlands.\n-\u00a9 2001 \u2013 2026:\n+\u00a9 2001 \u2013 2024:\n      The GROMACS development teams at the Royal Institute of Technology\n      and Uppsala University, Sweden.\n This manual is not complete and has no pretension to be so, due to lack of time\n of the contributors \u2013 our first priority is to improve the software. It is\n worked on continuously, which in some cases might mean the information is not\n entirely correct.\n Comments on form and content are welcome, please send them to the _\bu_\bs_\be_\br\n"}]}, {"source1": "./usr/share/doc/gromacs/html/searchindex.js", "source2": "./usr/share/doc/gromacs/html/searchindex.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -10967,17 +10967,17 @@\n         \"2017\": [38, 193, 225, 226, 228, 250, 262, 294],\n         \"2018\": [27, 38, 193, 227, 244, 250, 251, 252, 253, 254, 255, 257, 259, 261, 269, 282, 332, 369],\n         \"2019\": [30, 38, 193, 204, 239, 240, 241, 242, 259, 265, 266, 267, 268, 269, 282, 294, 369],\n         \"2020\": [4, 11, 15, 17, 28, 38, 180, 193, 255, 275, 281, 282, 283, 284, 285, 286, 287, 311, 336, 369],\n         \"2021\": [38, 193, 266, 269, 270, 291, 297, 298, 299, 300, 301, 302, 311, 326, 369],\n         \"2022\": [0, 17, 27, 28, 38, 271, 285, 286, 307, 313, 314, 315, 316, 317, 318, 327, 369],\n         \"2023\": [37, 38, 122, 193, 287, 301, 302, 323, 329, 330, 331, 332, 333, 369],\n-        \"2024\": [37, 38, 80, 83, 122, 195, 242, 315, 316, 317, 318, 338, 350],\n+        \"2024\": [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 226, 227, 228, 229, 230, 231, 232, 233, 234, 235, 236, 237, 238, 239, 240, 241, 242, 243, 244, 245, 246, 247, 248, 249, 250, 251, 252, 253, 254, 255, 256, 257, 258, 259, 260, 261, 262, 263, 264, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, 291, 292, 293, 294, 295, 296, 297, 298, 299, 300, 301, 302, 303, 304, 305, 306, 307, 308, 309, 310, 311, 312, 313, 314, 315, 316, 317, 318, 319, 320, 321, 322, 323, 324, 325, 326, 327, 328, 334, 335, 337, 338, 339, 340, 341, 342, 343, 344, 345, 346, 347, 348, 349, 350, 351, 352, 353, 355, 356, 357, 358, 359, 360, 361, 362, 363, 364, 365, 366, 367, 368, 369, 370, 371, 372, 373],\n         \"2025\": [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 226, 227, 228, 229, 230, 231, 232, 233, 234, 235, 236, 237, 238, 239, 240, 241, 242, 243, 244, 245, 246, 247, 248, 249, 250, 251, 252, 253, 254, 255, 256, 257, 258, 259, 260, 261, 262, 263, 264, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, 291, 292, 293, 294, 295, 296, 297, 298, 299, 300, 301, 302, 303, 304, 305, 306, 307, 308, 309, 310, 311, 312, 313, 314, 315, 316, 317, 318, 319, 320, 321, 322, 323, 324, 325, 326, 327, 328, 329, 330, 331, 332, 333, 334, 335, 336, 337, 338, 339, 340, 341, 342, 343, 344, 345, 347, 348, 349, 350, 351, 352, 353, 355, 356, 357, 358, 359, 360, 361, 362, 363, 364, 365, 366, 367, 368, 369, 370, 371, 372, 373],\n-        \"2026\": [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 226, 227, 228, 229, 230, 231, 232, 233, 234, 235, 236, 237, 238, 239, 240, 241, 242, 243, 244, 245, 246, 247, 248, 249, 250, 251, 252, 253, 254, 255, 256, 257, 258, 259, 260, 261, 262, 263, 264, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, 291, 292, 293, 294, 295, 296, 297, 298, 299, 300, 301, 302, 303, 304, 305, 306, 307, 308, 309, 310, 311, 312, 313, 314, 315, 316, 317, 318, 319, 320, 321, 322, 323, 324, 325, 326, 327, 328, 329, 330, 331, 332, 333, 334, 335, 336, 337, 338, 339, 340, 341, 342, 343, 344, 345, 346, 347, 348, 349, 350, 351, 352, 353, 354, 355, 356, 357, 358, 359, 360, 361, 362, 363, 364, 365, 366, 367, 368, 369, 370, 371, 372, 373],\n+        \"2026\": [249, 354],\n         \"2027\": 249,\n         \"2028\": 249,\n         \"2029\": 223,\n         \"2031\": 242,\n         \"2032\": [49, 193, 242],\n         \"2033\": 223,\n         \"2037\": [223, 239, 250],\n"}]}]}]}]}]}