{"diffoscope-json-version": 1, "source1": "/srv/reproducible-results/rbuild-debian/r-b-build.3nzuJkv3/b1/gromacs_2025.3-1_amd64.changes", "source2": "/srv/reproducible-results/rbuild-debian/r-b-build.3nzuJkv3/b2/gromacs_2025.3-1_amd64.changes", "unified_diff": null, "details": [{"source1": "Files", "source2": "Files", "unified_diff": "@@ -1,9 +1,9 @@\n \n- 9de30c7bf506f2b732d224e8539c3988 45928760 science optional gromacs-data_2025.3-1_all.deb\n+ a2bd47ca92fac912e3954b7c44822031 45930136 science optional gromacs-data_2025.3-1_all.deb\n  303e6a6d9e3eb9308b0858c50ed321c9 1026760 debug optional gromacs-dbgsym_2025.3-1_amd64.deb\n  2924f9853f5a89d7a8b3ece786488449 61916 science optional gromacs_2025.3-1_amd64.deb\n  8753bf71cb14d83f108cc23928497ec4 174856 libdevel optional libgromacs-dev_2025.3-1_amd64.deb\n  b33bbf44c3061da44d6de20496541dc2 563058644 debug optional libgromacs10-dbgsym_2025.3-1_amd64.deb\n  b5d7748194e33052f8bbcbe2fcdae44f 33319832 libs optional libgromacs10_2025.3-1_amd64.deb\n  1cc475f50c18b8a1894777fd14eceb4b 33592 libdevel optional libnblib-gmx-dev_2025.3-1_amd64.deb\n  60d76f51c4ecc36611550439e246abe6 7302120 debug optional libnblib-gmx0-dbgsym_2025.3-1_amd64.deb\n"}, {"source1": "gromacs-data_2025.3-1_all.deb", "source2": "gromacs-data_2025.3-1_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 2025-08-30 20:26:24.000000 debian-binary\n--rw-r--r--   0        0        0   461016 2025-08-30 20:26:24.000000 control.tar.xz\n--rw-r--r--   0        0        0 45467552 2025-08-30 20:26:24.000000 data.tar.xz\n+-rw-r--r--   0        0        0   461168 2025-08-30 20:26:24.000000 control.tar.xz\n+-rw-r--r--   0        0        0 45468776 2025-08-30 20:26:24.000000 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: 2025.3-1\n Architecture: all\n Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>\n-Installed-Size: 329097\n+Installed-Size: 329104\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": "@@ -4908,15 +4908,15 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;&gt;module_src_\n-000019a0: 6772 6f6d 6163 735f 6669 6c65 696f 202d  gromacs_fileio -\n-000019b0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3238  ->.<g id=\"edge28\n-000019c0: 3122 2063 6c61 7373 3d22 6564 6765 223e  1\" class=\"edge\">\n-000019d0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-000019e0: 7263 5f70 726f 6772 616d 735f 6d64 7275  rc_programs_mdru\n-000019f0: 6e5f 7465 7374 7326 2334 353b 2667 743b  n_tests&#45;&gt;\n-00001a00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00001a10: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65  cs_fileio</title\n-00001a20: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00001a30: 6e65 2220 7374 726f 6b65 3d22 2332 6363  ne\" stroke=\"#2cc\n-00001a40: 6332 3822 2073 7472 6f6b 652d 6461 7368  c28\" stroke-dash\n-00001a50: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n-00001a60: 3235 3738 2c2d 3130 352e 3935 4332 3537  2578,-105.95C257\n-00001a70: 382c 2d31 3238 2e33 3520 3235 3738 2c2d  8,-128.35 2578,-\n-00001a80: 3137 362e 3434 2032 3537 382c 2d32 3137  176.44 2578,-217\n-00001a90: 2e30 3520 3235 3738 2c2d 3238 312e 3932  .05 2578,-281.92\n-00001aa0: 2032 3537 382c 2d32 3831 2e39 3220 3235   2578,-281.92 25\n-00001ab0: 3738 2c2d 3238 312e 3932 2032 3537 382c  78,-281.92 2578,\n-00001ac0: 2d33 3733 2e31 3920 3130 3739 2e37 352c  -373.19 1079.75,\n-00001ad0: 2d34 3030 2e39 3920 3832 322e 342c 2d34  -400.99 822.4,-4\n-00001ae0: 3035 2e30 3922 2f3e 0a3c 706f 6c79 676f  05.09\"/>.<polygo\n-00001af0: 6e20 6669 6c6c 3d22 2332 6363 6332 3822  n fill=\"#2ccc28\"\n-00001b00: 2073 7472 6f6b 653d 2223 3263 6363 3238   stroke=\"#2ccc28\n-00001b10: 2220 706f 696e 7473 3d22 3832 322e 3033  \" points=\"822.03\n-00001b20: 2c2d 3430 312e 3620 3831 322e 3039 2c2d  ,-401.6 812.09,-\n-00001b30: 3430 352e 3236 2038 3232 2e31 342c 2d34  405.26 822.14,-4\n-00001b40: 3038 2e36 2038 3232 2e30 332c 2d34 3031  08.6 822.03,-401\n-00001b50: 2e36 222f 3e0a 3c2f 673e 0a3c 212d 2d20  .6\"/>.</g>.<!-- \n-00001b60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00001b70: 6373 5f74 7261 6a65 6374 6f72 7920 2d2d  cs_trajectory --\n-00001b80: 3e0a 3c67 2069 643d 226e 6f64 6533 3322  >.<g id=\"node33\"\n-00001b90: 2063 6c61 7373 3d22 6e6f 6465 223e 0a3c   class=\"node\">.<\n-00001ba0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00001bb0: 5f67 726f 6d61 6373 5f74 7261 6a65 6374  _gromacs_traject\n-00001bc0: 6f72 793c 2f74 6974 6c65 3e0a 3c65 6c6c  ory</title>.<ell\n-00001bd0: 6970 7365 2066 696c 6c3d 2223 6266 6266  ipse fill=\"#bfbf\n-00001be0: 6266 2220 7374 726f 6b65 3d22 626c 6163  bf\" stroke=\"blac\n-00001bf0: 6b22 2063 783d 2231 3537 2220 6379 3d22  k\" cx=\"157\" cy=\"\n-00001c00: 2d32 3830 2e39 3222 2072 783d 2234 312e  -280.92\" rx=\"41.\n-00001c10: 3032 2220 7279 3d22 3133 2e33 3722 2f3e  02\" ry=\"13.37\"/>\n-00001c20: 0a3c 7465 7874 2074 6578 742d 616e 6368  .<text text-anch\n-00001c30: 6f72 3d22 6d69 6464 6c65 2220 783d 2231  or=\"middle\" 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rograms_mdrun_te\n-00001d20: 7374 7326 2334 353b 2667 743b 6d6f 6475  sts&#45;&gt;modu\n-00001d30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n-00001d40: 7261 6a65 6374 6f72 793c 2f74 6974 6c65  rajectory</title\n-00001d50: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00001d60: 6e65 2220 7374 726f 6b65 3d22 2332 6363  ne\" stroke=\"#2cc\n-00001d70: 6332 3822 2073 7472 6f6b 652d 6461 7368  c28\" stroke-dash\n-00001d80: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n-00001d90: 3235 3434 2e38 312c 2d31 3034 2e37 3443  2544.81,-104.74C\n-00001da0: 3234 3935 2e33 342c 2d31 3231 2e33 3320  2495.34,-121.33 \n-00001db0: 3233 3939 2e30 392c 2d31 3531 2e39 3220  2399.09,-151.92 \n-00001dc0: 3233 3135 2c2d 3136 382e 3631 2032 3037  2315,-168.61 207\n-00001dd0: 312e 3934 2c2d 3231 362e 3835 2032 3030  1.94,-216.85 200\n-00001de0: 382e 3137 2c2d 3231 332e 3735 2031 3736  8.17,-213.75 176\n-00001df0: 312c 2d32 3331 2e34 3820 3131 3530 2e38  1,-231.48 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379.58,-94.84 \n-00002180: 3338 392e 3331 2c2d 3939 2e30 3220 3338  389.31,-99.02 38\n-00002190: 392e 382c 2d39 322e 3034 222f 3e0a 3c2f  9.8,-92.04\"/>.</\n-000021a0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-000021b0: 7263 5f67 726f 6d61 6373 5f67 6d78 7072  rc_gromacs_gmxpr\n-000021c0: 6570 726f 6365 7373 202d 2d3e 0a3c 6720  eprocess -->.<g \n-000021d0: 6964 3d22 6e6f 6465 3430 2220 636c 6173  id=\"node40\" clas\n-000021e0: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65  s=\"node\">.<title\n-000021f0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00002200: 6163 735f 676d 7870 7265 7072 6f63 6573  acs_gmxpreproces\n-00002210: 733c 2f74 6974 6c65 3e0a 3c65 6c6c 6970  s</title>.<ellip\n-00002220: 7365 2066 696c 6c3d 2223 6266 6266 6266  se fill=\"#bfbfbf\n-00002230: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n-00002240: 2063 783d 2231 3431 3522 2063 793d 222d   cx=\"1415\" cy=\"-\n-00002250: 3131 3631 2e31 2220 7278 3d22 3538 2e38  1161.1\" rx=\"58.8\n-00002260: 3822 2072 793d 2231 332e 3337 222f 3e0a  8\" ry=\"13.37\"/>.\n-00002270: 3c74 6578 7420 7465 7874 2d61 6e63 686f  <text text-ancho\n-00002280: 723d 226d 6964 646c 6522 2078 3d22 3134  r=\"middle\" x=\"14\n-00002290: 3135 2220 793d 222d 3131 3538 2e36 2220  15\" y=\"-1158.6\" \n-000022a0: 666f 6e74 2d66 616d 696c 793d 2246 7265  font-family=\"Fre\n-000022b0: 6553 616e 7322 2066 6f6e 742d 7369 7a65  eSans\" font-size\n-000022c0: 3d22 3130 2e30 3022 3e67 6d78 7072 6570  =\"10.00\">gmxprep\n-000022d0: 726f 6365 7373 3c2f 7465 7874 3e0a 3c2f  rocess</text>.</\n-000022e0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-000022f0: 7263 5f70 726f 6772 616d 735f 6d64 7275  rc_programs_mdru\n-00002300: 6e5f 7465 7374 7326 2334 353b 2667 743b  n_tests&#45;&gt;\n-00002310: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00002320: 6373 5f67 6d78 7072 6570 726f 6365 7373  cs_gmxpreprocess\n-00002330: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g 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2768,-217.\n-00002420: 3035 2032 3736 382c 2d32 3831 2e39 3220  05 2768,-281.92 \n-00002430: 3237 3638 2c2d 3238 312e 3932 2032 3736  2768,-281.92 276\n-00002440: 382c 2d32 3831 2e39 3220 3237 3638 2c2d  8,-281.92 2768,-\n-00002450: 3333 332e 3737 2032 3734 352e 3036 2c2d  333.77 2745.06,-\n-00002460: 3334 322e 3739 2032 3733 332c 2d33 3933  342.79 2733,-393\n-00002470: 2e32 3220 3237 3138 2e35 322c 2d34 3533  .22 2718.52,-453\n-00002480: 2e37 3720 3237 3130 2c2d 3436 392e 3134  .77 2710,-469.14\n-00002490: 2032 3731 302c 2d35 3331 2e34 2032 3731   2710,-531.4 271\n-000024a0: 302c 2d39 3130 2e36 3220 3237 3130 2c2d  0,-910.62 2710,-\n-000024b0: 3931 302e 3632 2032 3731 302c 2d39 3130  910.62 2710,-910\n-000024c0: 2e36 3220 3237 3130 2c2d 3130 3730 2e34  .62 2710,-1070.4\n-000024d0: 3420 3235 3332 2e32 332c 2d31 3030 362e  4 2532.23,-1006.\n-000024e0: 3839 2032 3337 382c 2d31 3034 382e 3739  89 2378,-1048.79\n-000024f0: 2032 3235 312e 3939 2c2d 3130 3833 2e30   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module_src\n-000025e0: 5f67 726f 6d61 6373 5f65 7761 6c64 202d  _gromacs_ewald -\n-000025f0: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3437  ->.<g id=\"node47\n-00002600: 2220 636c 6173 733d 226e 6f64 6522 3e0a  \" class=\"node\">.\n-00002610: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00002620: 635f 6772 6f6d 6163 735f 6577 616c 643c  c_gromacs_ewald<\n-00002630: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261  /title>.<g id=\"a\n-00002640: 5f6e 6f64 6534 3722 3e3c 6120 786c 696e  _node47\"><a xlin\n-00002650: 6b3a 6872 6566 3d22 6772 6f75 705f 5f6d  k:href=\"group__m\n-00002660: 6f64 756c 655f 5f65 7761 6c64 2e78 6874  odule__ewald.xht\n-00002670: 6d6c 2220 7461 7267 6574 3d22 5f74 6f70  ml\" target=\"_top\n-00002680: 2220 786c 696e 6b3a 7469 746c 653d 2265  \" xlink:title=\"e\n-00002690: 7761 6c64 223e 0a3c 656c 6c69 7073 6520  wald\">.<ellipse \n-000026a0: 6669 6c6c 3d22 2365 3563 6366 6622 2073  fill=\"#e5ccff\" s\n-000026b0: 7472 6f6b 653d 2262 6c61 636b 2220 6378  troke=\"black\" cx\n-000026c0: 3d22 3139 3033 2220 6379 3d22 2d35 3935  =\"1903\" cy=\"-595\n-000026d0: 2e32 3722 2072 783d 2232 382e 3938 2220  .27\" rx=\"28.98\" \n-000026e0: 7279 3d22 3133 2e33 3722 2f3e 0a3c 7465  ry=\"13.37\"/>.<te\n-000026f0: 7874 2074 6578 742d 616e 6368 6f72 3d22  xt text-anchor=\"\n-00002700: 6d69 6464 6c65 2220 783d 2231 3930 3322  middle\" x=\"1903\"\n-00002710: 2079 3d22 2d35 3932 2e37 3722 2066 6f6e   y=\"-592.77\" fon\n-00002720: 742d 6661 6d69 6c79 3d22 4672 6565 5361  t-family=\"FreeSa\n-00002730: 6e73 2220 666f 6e74 2d73 697a 653d 2231  ns\" font-size=\"1\n-00002740: 302e 3030 223e 6577 616c 643c 2f74 6578  0.00\">ewald</tex\n-00002750: 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67  t>.</a>.</g>.</g\n-00002760: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-00002770: 635f 7072 6f67 7261 6d73 5f6d 6472 756e  c_programs_mdrun\n-00002780: 5f74 6573 7473 2623 3435 3b26 6774 3b6d  _tests&#45;&gt;m\n-00002790: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-000027a0: 735f 6577 616c 6420 2d2d 3e0a 3c67 2069  s_ewald -->.<g i\n-000027b0: 643d 2265 6467 6532 3835 2220 636c 6173  d=\"edge285\" clas\n-000027c0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-000027d0: 3e6d 6f64 756c 655f 7372 635f 7072 6f67  >module_src_prog\n-000027e0: 7261 6d73 5f6d 6472 756e 5f74 6573 7473  rams_mdrun_tests\n-000027f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00002800: 7372 635f 6772 6f6d 6163 735f 6577 616c  src_gromacs_ewal\n-00002810: 643c 2f74 6974 6c65 3e0a 3c70 6174 6820  d</title>.<path \n-00002820: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-00002830: 6b65 3d22 2332 6363 6332 3822 2073 7472  ke=\"#2ccc28\" str\n-00002840: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-00002850: 2c32 2220 643d 224d 3235 3932 2e33 2c2d  ,2\" d=\"M2592.3,-\n-00002860: 3130 352e 3832 4332 3631 342e 3331 2c2d  105.82C2614.31,-\n-00002870: 3132 362e 3535 2032 3635 342c 2d31 3730  126.55 2654,-170\n-00002880: 2e34 2032 3635 342c 2d32 3137 2e30 3520  .4 2654,-217.05 \n-00002890: 3236 3534 2c2d 3238 312e 3932 2032 3635  2654,-281.92 265\n-000028a0: 342c 2d32 3831 2e39 3220 3236 3534 2c2d  4,-281.92 2654,-\n-000028b0: 3238 312e 3932 2032 3635 342c 2d33 3139  281.92 2654,-319\n-000028c0: 2e36 3120 3236 3431 2e34 2c2d 3333 302e  .61 2641.4,-330.\n-000028d0: 3332 2032 3631 352c 2d33 3537 2e32 3220  32 2615,-357.22 \n-000028e0: 3234 3538 2e35 2c2d 3531 362e 3639 2032  2458.5,-516.69 2\n-000028f0: 3336 362e 3633 2c2d 3439 352e 3233 2032  366.63,-495.23 2\n-00002900: 3134 392c 2d35 3435 2e38 3320 3230 3735  149,-545.83 2075\n-00002910: 2e31 342c 2d35 3633 2031 3938 372e 3838  .14,-563 1987.88\n-00002920: 2c2d 3537 392e 3233 2031 3933 392e 3636  ,-579.23 1939.66\n-00002930: 2c2d 3538 372e 3835 222f 3e0a 3c70 6f6c  ,-587.85\"/>.<pol\n-00002940: 7967 6f6e 2066 696c 6c3d 2223 3263 6363  ygon fill=\"#2ccc\n-00002950: 3238 2220 7374 726f 6b65 3d22 2332 6363  28\" stroke=\"#2cc\n-00002960: 6332 3822 2070 6f69 6e74 733d 2231 3933  c28\" points=\"193\n-00002970: 382e 3933 2c2d 3538 342e 3433 2031 3932  8.93,-584.43 192\n-00002980: 392e 372c 2d35 3839 2e36 3220 3139 3430  9.7,-589.62 1940\n-00002990: 2e31 362c 2d35 3931 2e33 3220 3139 3338  .16,-591.32 1938\n-000029a0: 2e39 332c 2d35 3834 2e34 3322 2f3e 0a3c  .93,-584.43\"/>.<\n-000029b0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n-000029c0: 7372 635f 6772 6f6d 6163 735f 746f 706f  src_gromacs_topo\n-000029d0: 6c6f 6779 202d 2d3e 0a3c 6720 6964 3d22  logy -->.<g id=\"\n-000029e0: 6e6f 6465 3222 2063 6c61 7373 3d22 6e6f  node2\" class=\"no\n-000029f0: 6465 223e 0a3c 7469 746c 653e 6d6f 6475  de\">.<title>modu\n-00002a00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n-00002a10: 6f70 6f6c 6f67 793c 2f74 6974 6c65 3e0a  opology</title>.\n-00002a20: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223  <ellipse fill=\"#\n-00002a30: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n-00002a40: 626c 6163 6b22 2063 783d 2231 3935 3522  black\" cx=\"1955\"\n-00002a50: 2063 793d 222d 3130 3938 2e32 3322 2072   cy=\"-1098.23\" r\n-00002a60: 783d 2233 372e 3435 2220 7279 3d22 3133  x=\"37.45\" ry=\"13\n-00002a70: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n-00002a80: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n-00002a90: 2220 783d 2231 3935 3522 2079 3d22 2d31  \" x=\"1955\" y=\"-1\n-00002aa0: 3039 352e 3733 2220 666f 6e74 2d66 616d  095.73\" font-fam\n-00002ab0: 696c 793d 2246 7265 6553 616e 7322 2066  ily=\"FreeSans\" f\n-00002ac0: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022  ont-size=\"10.00\"\n-00002ad0: 3e74 6f70 6f6c 6f67 793c 2f74 6578 743e  >topology</text>\n-00002ae0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00002af0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-00002b00: 7479 7065 7320 2d2d 3e0a 3c67 2069 643d  types -->.<g id=\n-00002b10: 226e 6f64 6531 3422 2063 6c61 7373 3d22  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3030  font-size=\"10.00\n-00002c00: 223e 6d64 7479 7065 733c 2f74 6578 743e  \">mdtypes</text>\n-00002c10: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-00002c20: 655f 7372 635f 6772 6f6d 6163 735f 746f  e_src_gromacs_to\n-00002c30: 706f 6c6f 6779 2623 3435 3b26 6774 3b6d  pology&#45;&gt;m\n-00002c40: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00002c50: 735f 6d64 7479 7065 7320 2d2d 3e0a 3c67  s_mdtypes -->.<g\n-00002c60: 2069 643d 2265 6467 6531 2220 636c 6173   id=\"edge1\" clas\n-00002c70: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-00002c80: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00002c90: 6163 735f 746f 706f 6c6f 6779 2623 3435  acs_topology&#45\n-00002ca0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00002cb0: 6772 6f6d 6163 735f 6d64 7479 7065 733c  gromacs_mdtypes<\n-00002cc0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00002cd0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-00002ce0: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-00002cf0: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n-00002d00: 2220 643d 224d 3139 3231 2e35 2c2d 3130  \" d=\"M1921.5,-10\n-00002d10: 3932 2e31 3443 3138 3439 2e33 352c 2d31  92.14C1849.35,-1\n-00002d20: 3038 312e 3139 2031 3637 392e 3237 2c2d  081.19 1679.27,-\n-00002d30: 3130 3535 2e33 3720 3135 3938 2e33 322c  1055.37 1598.32,\n-00002d40: 2d31 3034 332e 3038 222f 3e0a 3c70 6f6c  -1043.08\"/>.<pol\n-00002d50: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n-00002d60: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n-00002d70: 6663 6322 2070 6f69 6e74 733d 2231 3539  fcc\" points=\"159\n-00002d80: 382e 3338 2c2d 3130 3339 2e35 3520 3135  8.38,-1039.55 15\n-00002d90: 3837 2e39 372c 2d31 3034 312e 3531 2031  87.97,-1041.51 1\n-00002da0: 3539 372e 3333 2c2d 3130 3436 2e34 3720  597.33,-1046.47 \n-00002db0: 3135 3938 2e33 382c 2d31 3033 392e 3535  1598.38,-1039.55\n-00002dc0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-00002dd0: 6475 6c65 5f73 7263 5f74 6573 7475 7469  dule_src_testuti\n-00002de0: 6c73 202d 2d3e 0a3c 6720 6964 3d22 6e6f  ls -->.<g id=\"no\n-00002df0: 6465 3530 2220 636c 6173 733d 226e 6f64  de50\" class=\"nod\n-00002e00: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-00002e10: 655f 7372 635f 7465 7374 7574 696c 733c  e_src_testutils<\n-00002e20: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261  /title>.<g id=\"a\n-00002e30: 5f6e 6f64 6535 3022 3e3c 6120 786c 696e  _node50\"><a xlin\n-00002e40: 6b3a 6872 6566 3d22 6772 6f75 705f 5f6d  k:href=\"group__m\n-00002e50: 6f64 756c 655f 5f74 6573 7475 7469 6c73  odule__testutils\n-00002e60: 2e78 6874 6d6c 2220 7461 7267 6574 3d22  .xhtml\" target=\"\n-00002e70: 5f74 6f70 2220 786c 696e 6b3a 7469 746c  _top\" xlink:titl\n-00002e80: 653d 2274 6573 7475 7469 6c73 223e 0a3c  e=\"testutils\">.<\n-00002e90: 656c 6c69 7073 6520 6669 6c6c 3d22 2366  ellipse fill=\"#f\n-00002ea0: 6665 3463 6322 2073 7472 6f6b 653d 2262  fe4cc\" stroke=\"b\n-00002eb0: 6c61 636b 2220 6378 3d22 3235 3236 2220  lack\" cx=\"2526\" \n-00002ec0: 6379 3d22 2d39 3732 2e34 3922 2072 783d  cy=\"-972.49\" rx=\n-00002ed0: 2233 362e 3132 2220 7279 3d22 3133 2e33  \"36.12\" ry=\"13.3\n-00002ee0: 3722 2f3e 0a3c 7465 7874 2074 6578 742d  7\"/>.<text text-\n-00002ef0: 616e 6368 6f72 3d22 6d69 6464 6c65 2220  anchor=\"middle\" \n-00002f00: 783d 2232 3532 3622 2079 3d22 2d39 3639  x=\"2526\" y=\"-969\n-00002f10: 2e39 3922 2066 6f6e 742d 6661 6d69 6c79  .99\" font-family\n-00002f20: 3d22 4672 6565 5361 6e73 2220 666f 6e74  =\"FreeSans\" font\n-00002f30: 2d73 697a 653d 2231 302e 3030 223e 7465  -size=\"10.00\">te\n-00002f40: 7374 7574 696c 733c 2f74 6578 743e 0a3c  stutils</text>.<\n-00002f50: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21  /a>.</g>.</g>.<!\n-00002f60: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00002f70: 6f6d 6163 735f 746f 706f 6c6f 6779 2623  omacs_topology&#\n-00002f80: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00002f90: 635f 7465 7374 7574 696c 7320 2d2d 3e0a  c_testutils -->.\n-00002fa0: 3c67 2069 643d 2265 6467 6532 2220 636c  <g id=\"edge2\" cl\n-00002fb0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00002fc0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-00002fd0: 6f6d 6163 735f 746f 706f 6c6f 6779 2623  omacs_topology&#\n-00002fe0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00002ff0: 635f 7465 7374 7574 696c 733c 2f74 6974  c_testutils</tit\n-00003000: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-00003010: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265  none\" stroke=\"re\n-00003020: 6422 2064 3d22 4d31 3939 322e 3137 2c2d  d\" d=\"M1992.17,-\n-00003030: 3130 3935 2e39 3243 3230 3630 2e37 312c  1095.92C2060.71,\n-00003040: 2d31 3039 322e 3736 2032 3231 312e 3135  -1092.76 2211.15\n-00003050: 2c2d 3130 3832 2e32 3820 3233 3333 2c2d  ,-1082.28 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ardware&#45;&gt;\n-00003300: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00003310: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469  cs_gpu_utils</ti\n-00003320: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-00003330: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-00003340: 6266 6266 6266 2220 643d 224d 3137 3531  bfbfbf\" d=\"M1751\n-00003350: 2e37 362c 2d38 3939 2e35 4331 3732 372e  .76,-899.5C1727.\n-00003360: 3133 2c2d 3838 392e 3820 3136 3930 2e36  13,-889.8 1690.6\n-00003370: 322c 2d38 3734 2e32 3820 3136 3635 2e31  2,-874.28 1665.1\n-00003380: 322c 2d38 3632 2e37 3622 2f3e 0a3c 706f  2,-862.76\"/>.<po\n-00003390: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n-000033a0: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n-000033b0: 6266 6266 2220 706f 696e 7473 3d22 3136  bfbf\" points=\"16\n-000033c0: 3636 2e34 392c 2d38 3539 2e35 3420 3136  66.49,-859.54 16\n-000033d0: 3535 2e39 342c 2d38 3538 2e35 3720 3136  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ry=\"13.37\"\n-000034c0: 2f3e 0a3c 7465 7874 2074 6578 742d 616e  />.<text text-an\n-000034d0: 6368 6f72 3d22 6d69 6464 6c65 2220 783d  chor=\"middle\" x=\n-000034e0: 2231 3235 3622 2079 3d22 2d35 3239 2e39  \"1256\" y=\"-529.9\n-000034f0: 2220 666f 6e74 2d66 616d 696c 793d 2246  \" font-family=\"F\n-00003500: 7265 6553 616e 7322 2066 6f6e 742d 7369  reeSans\" font-si\n-00003510: 7a65 3d22 3130 2e30 3022 3e67 6d78 6c69  ze=\"10.00\">gmxli\n-00003520: 623c 2f74 6578 743e 0a3c 2f67 3e0a 3c21  b</text>.</g>.<!\n-00003530: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00003540: 6f6d 6163 735f 746f 6f6c 7326 2334 353b  omacs_tools&#45;\n-00003550: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00003560: 726f 6d61 6373 5f67 6d78 6c69 6220 2d2d  romacs_gmxlib --\n-00003570: 3e0a 3c67 2069 643d 2265 6467 6531 3422  >.<g id=\"edge14\"\n-00003580: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-00003590: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-000035a0: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623  _gromacs_tools&#\n-000035b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-000035c0: 635f 6772 6f6d 6163 735f 676d 786c 6962  c_gromacs_gmxlib\n-000035d0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-000035e0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-000035f0: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n-00003600: 3132 3639 2e39 322c 2d31 3232 312e 3743  1269.92,-1221.7C\n-00003610: 3131 3330 2e31 382c 2d31 3231 342e 3832  1130.18,-1214.82\n-00003620: 2034 3937 2c2d 3131 3739 2e32 3520 3439   497,-1179.25 49\n-00003630: 372c 2d31 3039 392e 3233 2034 3937 2c2d  7,-1099.23 497,-\n-00003640: 3130 3939 2e32 3320 3439 372c 2d31 3039  1099.23 497,-109\n-00003650: 392e 3233 2034 3937 2c2d 3130 3334 2e33  9.23 497,-1034.3\n-00003660: 3620 3439 372c 2d31 3030 372e 3320 3736  6 497,-1007.3 76\n-00003670: 352e 3831 2c2d 3635 382e 3633 2037 3839  5.81,-658.63 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ill=\"#e5ccff\" st\n-00004640: 726f 6b65 3d22 626c 6163 6b22 2063 783d  roke=\"black\" cx=\n-00004650: 2231 3732 3122 2063 793d 222d 3231 382e  \"1721\" cy=\"-218.\n-00004660: 3035 2220 7278 3d22 3331 2e32 3322 2072  05\" rx=\"31.23\" r\n-00004670: 793d 2231 332e 3337 222f 3e0a 3c74 6578  y=\"13.37\"/>.<tex\n-00004680: 7420 7465 7874 2d61 6e63 686f 723d 226d  t text-anchor=\"m\n-00004690: 6964 646c 6522 2078 3d22 3137 3231 2220  iddle\" x=\"1721\" \n-000046a0: 793d 222d 3231 352e 3535 2220 666f 6e74  y=\"-215.55\" font\n-000046b0: 2d66 616d 696c 793d 2246 7265 6553 616e  -family=\"FreeSan\n-000046c0: 7322 2066 6f6e 742d 7369 7a65 3d22 3130  s\" font-size=\"10\n-000046d0: 2e30 3022 3e6d 6472 756e 3c2f 7465 7874  .00\">mdrun</text\n-000046e0: 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e  >.</a>.</g>.</g>\n-000046f0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00004700: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623  _gromacs_tools&#\n-00004710: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00004720: 635f 6772 6f6d 6163 735f 6d64 7275 6e20  c_gromacs_mdrun \n-00004730: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n-00004740: 3122 2063 6c61 7373 3d22 6564 6765 223e  1\" class=\"edge\">\n-00004750: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00004760: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73  rc_gromacs_tools\n-00004770: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00004780: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n-00004790: 6e3c 2f74 6974 6c65 3e0a 3c70 6174 6820  n</title>.<path \n-000047a0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-000047b0: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n-000047c0: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-000047d0: 2c32 2220 643d 224d 3133 3234 2e30 382c  ,2\" d=\"M1324.08,\n-000047e0: 2d31 3232 332e 3137 4331 3434 332e 3032  -1223.17C1443.02\n-000047f0: 2c2d 3132 3233 2e34 3420 3139 3137 2e32  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1757.\n-000048e0: 3839 2c2d 3234 332e 3939 2031 3734 362e  89,-243.99 1746.\n-000048f0: 3233 2c2d 3233 352e 3437 222f 3e0a 3c70  23,-235.47\"/>.<p\n-00004900: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n-00004910: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n-00004920: 3832 6663 6322 2070 6f69 6e74 733d 2231  82fcc\" points=\"1\n-00004930: 3734 372e 3933 2c2d 3233 322e 3339 2031  747.93,-232.39 1\n-00004940: 3733 372e 3734 2c2d 3232 392e 3531 2031  737.74,-229.51 1\n-00004950: 3734 332e 3931 2c2d 3233 382e 3132 2031  743.91,-238.12 1\n-00004960: 3734 372e 3933 2c2d 3233 322e 3339 222f  747.93,-232.39\"/\n-00004970: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-00004980: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74  le_src_gromacs_t\n-00004990: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64  ools&#45;&gt;mod\n-000049a0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-000049b0: 6669 6c65 696f 202d 2d3e 0a3c 6720 6964  fileio -->.<g 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6522 3e0a 3c74  class=\"edge\">.<t\n-00004e30: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00004e40: 6772 6f6d 6163 735f 746f 6f6c 7326 2334  gromacs_tools&#4\n-00004e50: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00004e60: 5f67 726f 6d61 6373 5f67 6d78 7072 6570  _gromacs_gmxprep\n-00004e70: 726f 6365 7373 3c2f 7469 746c 653e 0a3c  rocess</title>.<\n-00004e80: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-00004e90: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n-00004ea0: 2220 643d 224d 3133 3134 2e39 322c 2d31  \" d=\"M1314.92,-1\n-00004eb0: 3231 332e 3732 4331 3333 332e 3039 2c2d  213.72C1333.09,-\n-00004ec0: 3132 3034 2e33 3520 3133 3631 2e35 372c  1204.35 1361.57,\n-00004ed0: 2d31 3138 392e 3636 2031 3338 332e 3531  -1189.66 1383.51\n-00004ee0: 2c2d 3131 3738 2e33 3422 2f3e 0a3c 706f  ,-1178.34\"/>.<po\n-00004ef0: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n-00004f00: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n-00004f10: 6266 6266 2220 706f 696e 7473 3d22 3133  bfbf\" points=\"13\n-00004f20: 3835 2e31 382c 2d31 3138 312e 3432 2031  85.18,-1181.42 1\n-00004f30: 3339 322e 3436 2c2d 3131 3733 2e37 3220  392.46,-1173.72 \n-00004f40: 3133 3831 2e39 372c 2d31 3137 352e 3220  1381.97,-1175.2 \n-00004f50: 3133 3835 2e31 382c 2d31 3138 312e 3432  1385.18,-1181.42\n-00004f60: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-00004f70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00004f80: 5f6c 6973 7465 645f 666f 7263 6573 202d  _listed_forces -\n-00004f90: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3436  ->.<g id=\"node46\n-00004fa0: 2220 636c 6173 733d 226e 6f64 6522 3e0a  \" class=\"node\">.\n-00004fb0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00004fc0: 635f 6772 6f6d 6163 735f 6c69 7374 6564  c_gromacs_listed\n-00004fd0: 5f66 6f72 6365 733c 2f74 6974 6c65 3e0a  _forces</title>.\n-00004fe0: 3c67 2069 643d 2261 5f6e 6f64 6534 3622  <g 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macs_tools&#45;&\n-000051b0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-000051c0: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72  omacs_listed_for\n-000051d0: 6365 733c 2f74 6974 6c65 3e0a 3c70 6174  ces</title>.<pat\n-000051e0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-000051f0: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n-00005200: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n-00005210: 2235 2c32 2220 643d 224d 3133 3030 2e35  \"5,2\" d=\"M1300.5\n-00005220: 362c 2d31 3231 302e 3538 4331 3331 392e  6,-1210.58C1319.\n-00005230: 362c 2d31 3134 342e 3334 2031 3430 392e  6,-1144.34 1409.\n-00005240: 352c 2d38 3331 2e35 3920 3134 3334 2e35  5,-831.59 1434.5\n-00005250: 322c 2d37 3434 2e35 3422 2f3e 0a3c 706f  2,-744.54\"/>.<po\n-00005260: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-00005270: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-00005280: 3266 6363 2220 706f 696e 7473 3d22 3134  2fcc\" 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rx=\"27\n+00002680: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c  \" ry=\"13.37\"/>.<\n+00002690: 7465 7874 2074 6578 742d 616e 6368 6f72  text text-anchor\n+000026a0: 3d22 6d69 6464 6c65 2220 783d 2233 3233  =\"middle\" x=\"323\n+000026b0: 2e39 3122 2079 3d22 2d31 3232 312e 3437  .91\" y=\"-1221.47\n+000026c0: 2220 666f 6e74 2d66 616d 696c 793d 2246  \" font-family=\"F\n+000026d0: 7265 6553 616e 7322 2066 6f6e 742d 7369  reeSans\" font-si\n+000026e0: 7a65 3d22 3130 2e30 3022 3e74 6f6f 6c73  ze=\"10.00\">tools\n+000026f0: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d  </text>.</g>.<!-\n+00002700: 2d20 6d6f 6475 6c65 5f73 7263 5f70 726f  - module_src_pro\n+00002710: 6772 616d 735f 6d64 7275 6e5f 7465 7374  grams_mdrun_test\n+00002720: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+00002730: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f  _src_gromacs_too\n+00002740: 6c73 202d 2d3e 0a3c 6720 6964 3d22 6564  ls -->.<g id=\"ed\n+00002750: 6765 3237 3822 2063 6c61 7373 3d22 6564  ge278\" 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2178.91,-117\n+00002920: 342e 3533 2031 3939 332e 3132 2c2d 3132  4.53 1993.12,-12\n+00002930: 3031 2e38 3320 3630 372e 3031 2c2d 3132  01.83 607.01,-12\n+00002940: 3139 2e35 3820 3336 312e 3134 2c2d 3132  19.58 361.14,-12\n+00002950: 3232 2e35 3322 2f3e 0a3c 706f 6c79 676f  22.53\"/>.<polygo\n+00002960: 6e20 6669 6c6c 3d22 2332 6363 6332 3822  n fill=\"#2ccc28\"\n+00002970: 2073 7472 6f6b 653d 2223 3263 6363 3238   stroke=\"#2ccc28\n+00002980: 2220 706f 696e 7473 3d22 3336 302e 3839  \" points=\"360.89\n+00002990: 2c2d 3132 3139 2e30 3320 3335 302e 3934  ,-1219.03 350.94\n+000029a0: 2c2d 3132 3232 2e36 3520 3336 302e 3938  ,-1222.65 360.98\n+000029b0: 2c2d 3132 3236 2e30 3320 3336 302e 3839  ,-1226.03 360.89\n+000029c0: 2c2d 3132 3139 2e30 3322 2f3e 0a3c 2f67  ,-1219.03\"/>.</g\n+000029d0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+000029e0: 635f 6772 6f6d 6163 735f 6c69 6e65 6172  c_gromacs_linear\n+000029f0: 616c 6765 6272 6120 2d2d 3e0a 3c67 2069  algebra -->.<g i\n+00002a00: 643d 226e 6f64 6532 2220 636c 6173 733d  d=\"node2\" class=\n+00002a10: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d  \"node\">.<title>m\n+00002a20: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00002a30: 735f 6c69 6e65 6172 616c 6765 6272 613c  s_linearalgebra<\n+00002a40: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365  /title>.<ellipse\n+00002a50: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+00002a60: 7374 726f 6b65 3d22 626c 6163 6b22 2063  stroke=\"black\" c\n+00002a70: 783d 2231 3932 312e 3931 2220 6379 3d22  x=\"1921.91\" cy=\"\n+00002a80: 2d31 3232 332e 3937 2220 7278 3d22 3530  -1223.97\" rx=\"50\n+00002a90: 2e34 3122 2072 793d 2231 332e 3337 222f  .41\" ry=\"13.37\"/\n+00002aa0: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63  >.<text text-anc\n+00002ab0: 686f 723d 226d 6964 646c 6522 2078 3d22  hor=\"middle\" x=\"\n+00002ac0: 3139 3231 2e39 3122 2079 3d22 2d31 3232  1921.91\" y=\"-122\n+00002ad0: 312e 3437 2220 666f 6e74 2d66 616d 696c  1.47\" font-famil\n+00002ae0: 793d 2246 7265 6553 616e 7322 2066 6f6e  y=\"FreeSans\" fon\n+00002af0: 742d 7369 7a65 3d22 3130 2e30 3022 3e6c  t-size=\"10.00\">l\n+00002b00: 696e 6561 7261 6c67 6562 7261 3c2f 7465  inearalgebra</te\n+00002b10: 7874 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  xt>.</g>.<!-- mo\n+00002b20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00002b30: 5f6d 6472 756e 7574 696c 6974 7920 2d2d  _mdrunutility --\n+00002b40: 3e0a 3c67 2069 643d 226e 6f64 6533 2220  >.<g id=\"node3\" \n+00002b50: 636c 6173 733d 226e 6f64 6522 3e0a 3c74  class=\"node\">.<t\n+00002b60: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00002b70: 6772 6f6d 6163 735f 6d64 7275 6e75 7469  gromacs_mdrunuti\n+00002b80: 6c69 7479 3c2f 7469 746c 653e 0a3c 6720  lity</title>.<g \n+00002b90: 6964 3d22 615f 6e6f 6465 3322 3e3c 6120  id=\"a_node3\"><a \n+00002ba0: 786c 696e 6b3a 6872 6566 3d22 6772 6f75  xlink:href=\"grou\n+00002bb0: 705f 5f6d 6f64 756c 655f 5f6d 6472 756e  p__module__mdrun\n+00002bc0: 7574 696c 6974 792e 7868 746d 6c22 2074  utility.xhtml\" t\n+00002bd0: 6172 6765 743d 225f 746f 7022 2078 6c69  arget=\"_top\" xli\n+00002be0: 6e6b 3a74 6974 6c65 3d22 6d64 7275 6e75  nk:title=\"mdrunu\n+00002bf0: 7469 6c69 7479 223e 0a3c 656c 6c69 7073  tility\">.<ellips\n+00002c00: 6520 6669 6c6c 3d22 2365 3563 6366 6622  e fill=\"#e5ccff\"\n+00002c10: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n+00002c20: 6378 3d22 3139 3534 2e39 3122 2063 793d  cx=\"1954.91\" cy=\n+00002c30: 222d 3130 3938 2e32 3322 2072 783d 2234  \"-1098.23\" rx=\"4\n+00002c40: 372e 3235 2220 7279 3d22 3133 2e33 3722  7.25\" ry=\"13.37\"\n+00002c50: 2f3e 0a3c 7465 7874 2074 6578 742d 616e  />.<text text-an\n+00002c60: 6368 6f72 3d22 6d69 6464 6c65 2220 783d  chor=\"middle\" x=\n+00002c70: 2231 3935 342e 3931 2220 793d 222d 3130  \"1954.91\" y=\"-10\n+00002c80: 3935 2e37 3322 2066 6f6e 742d 6661 6d69  95.73\" font-fami\n+00002c90: 6c79 3d22 4672 6565 5361 6e73 2220 666f  ly=\"FreeSans\" fo\n+00002ca0: 6e74 2d73 697a 653d 2231 302e 3030 223e  nt-size=\"10.00\">\n+00002cb0: 6d64 7275 6e75 7469 6c69 7479 3c2f 7465  mdrunutility</te\n+00002cc0: 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f  xt>.</a>.</g>.</\n+00002cd0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00002ce0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n+00002cf0: 6573 202d 2d3e 0a3c 6720 6964 3d22 6e6f  es -->.<g id=\"no\n+00002d00: 6465 3622 2063 6c61 7373 3d22 6e6f 6465  de6\" class=\"node\n+00002d10: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00002d20: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474  _src_gromacs_mdt\n+00002d30: 7970 6573 3c2f 7469 746c 653e 0a3c 656c  ypes</title>.<el\n+00002d40: 6c69 7073 6520 6669 6c6c 3d22 2362 6662  lipse fill=\"#bfb\n+00002d50: 6662 6622 2073 7472 6f6b 653d 2262 6c61  fbf\" stroke=\"bla\n+00002d60: 636b 2220 6378 3d22 3133 3434 2e39 3122  ck\" cx=\"1344.91\"\n+00002d70: 2063 793d 222d 3130 3335 2e33 3622 2072   cy=\"-1035.36\" r\n+00002d80: 783d 2233 382e 3337 2220 7279 3d22 3133  x=\"38.37\" ry=\"13\n+00002d90: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n+00002da0: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n+00002db0: 2220 783d 2231 3334 342e 3931 2220 793d  \" x=\"1344.91\" y=\n+00002dc0: 222d 3130 3332 2e38 3622 2066 6f6e 742d  \"-1032.86\" font-\n+00002dd0: 6661 6d69 6c79 3d22 4672 6565 5361 6e73  family=\"FreeSans\n+00002de0: 2220 666f 6e74 2d73 697a 653d 2231 302e  \" font-size=\"10.\n+00002df0: 3030 223e 6d64 7479 7065 733c 2f74 6578  00\">mdtypes</tex\n+00002e00: 743e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  t>.</g>.<!-- mod\n+00002e10: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00002e20: 6d64 7275 6e75 7469 6c69 7479 2623 3435  mdrunutility&#45\n+00002e30: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00002e40: 6772 6f6d 6163 735f 6d64 7479 7065 7320  gromacs_mdtypes \n+00002e50: 2d2d 3e0a 3c67 2069 643d 2265 6467 6533  -->.<g id=\"edge3\n+00002e60: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+00002e70: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+00002e80: 635f 6772 6f6d 6163 735f 6d64 7275 6e75  c_gromacs_mdrunu\n+00002e90: 7469 6c69 7479 2623 3435 3b26 6774 3b6d  tility&#45;&gt;m\n+00002ea0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00002eb0: 735f 6d64 7479 7065 733c 2f74 6974 6c65  s_mdtypes</title\n+00002ec0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+00002ed0: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n+00002ee0: 6662 6622 2064 3d22 4d31 3931 312e 3034  fbf\" d=\"M1911.04\n+00002ef0: 2c2d 3130 3932 2e38 3543 3137 3939 2e33  ,-1092.85C1799.3\n+00002f00: 382c 2d31 3038 312e 3731 2031 3530 352e  8,-1081.71 1505.\n+00002f10: 322c 2d31 3035 322e 3335 2031 3339 312e  2,-1052.35 1391.\n+00002f20: 3038 2c2d 3130 3430 2e39 3622 2f3e 0a3c  08,-1040.96\"/>.<\n+00002f30: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon 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fi\n+00003020: 6c6c 3d22 2362 6662 6662 6622 2073 7472  ll=\"#bfbfbf\" str\n+00003030: 6f6b 653d 2262 6c61 636b 2220 6378 3d22  oke=\"black\" cx=\"\n+00003040: 3135 3935 2e39 3122 2063 793d 222d 3135  1595.91\" cy=\"-15\n+00003050: 352e 3138 2220 7278 3d22 3331 2e36 3422  5.18\" rx=\"31.64\"\n+00003060: 2072 793d 2231 332e 3337 222f 3e0a 3c74   ry=\"13.37\"/>.<t\n+00003070: 6578 7420 7465 7874 2d61 6e63 686f 723d  ext text-anchor=\n+00003080: 226d 6964 646c 6522 2078 3d22 3135 3935  \"middle\" x=\"1595\n+00003090: 2e39 3122 2079 3d22 2d31 3532 2e36 3822  .91\" y=\"-152.68\"\n+000030a0: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672   font-family=\"Fr\n+000030b0: 6565 5361 6e73 2220 666f 6e74 2d73 697a  eeSans\" font-siz\n+000030c0: 653d 2231 302e 3030 223e 676d 786c 6962  e=\"10.00\">gmxlib\n+000030d0: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d  </text>.</g>.<!-\n+000030e0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+000030f0: 6d61 6373 5f6d 6472 756e 7574 696c 6974  macs_mdrunutilit\n+00003100: 7926 2334 353b 2667 743b 6d6f 6475 6c65  y&#45;&gt;module\n+00003110: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n+00003120: 6c69 6220 2d2d 3e0a 3c67 2069 643d 2265  lib -->.<g id=\"e\n+00003130: 6467 6532 2220 636c 6173 733d 2265 6467  dge2\" class=\"edg\n+00003140: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00003150: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+00003160: 7275 6e75 7469 6c69 7479 2623 3435 3b26  runutility&#45;&\n+00003170: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00003180: 6f6d 6163 735f 676d 786c 6962 3c2f 7469  omacs_gmxlib</ti\n+00003190: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+000031a0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+000031b0: 6266 6266 6266 2220 643d 224d 3139 3839  bfbfbf\" d=\"M1989\n+000031c0: 2e33 352c 2d31 3038 382e 3837 4332 3031  .35,-1088.87C201\n+000031d0: 322e 3135 2c2d 3130 3831 2e37 3120 3230  2.15,-1081.71 20\n+000031e0: 3431 2e32 2c2d 3130 3639 2e32 3320 3230  41.2,-1069.23 20\n+000031f0: 3539 2e39 312c 2d31 3034 382e 3739 2032  59.91,-1048.79 2\n+00003200: 3134 302e 3035 2c2d 3936 312e 3232 2032  140.05,-961.22 2\n+00003210: 3132 382e 3638 2c2d 3931 342e 3131 2032  128.68,-914.11 2\n+00003220: 3134 392e 3931 2c2d 3739 372e 3331 2032  149.91,-797.31 2\n+00003230: 3136 392e 3636 2c2d 3638 382e 3635 2032  169.66,-688.65 2\n+00003240: 3134 332e 3931 2c2d 3334 362e 3238 2032  143.91,-346.28 2\n+00003250: 3134 332e 3931 2c2d 3334 342e 3739 2032  143.91,-344.79 2\n+00003260: 3134 332e 3931 2c2d 3334 342e 3739 2032  143.91,-344.79 2\n+00003270: 3134 332e 3931 2c2d 3334 342e 3739 2032  143.91,-344.79 2\n+00003280: 3134 332e 3931 2c2d 3237 392e 3932 2032  143.91,-279.92 2\n+00003290: 3134 332e 3931 2c2d 3137 362e 3237 2031  143.91,-176.27 1\n+000032a0: 3736 362e 3233 2c2d 3135 392e 3433 2031  766.23,-159.43 1\n+000032b0: 3633 372e 3935 2c2d 3135 362e 3722 2f3e  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class=\"edge\">.<\n+000033a0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+000033b0: 5f67 726f 6d61 6373 5f6d 6472 756e 7574  _gromacs_mdrunut\n+000033c0: 696c 6974 7926 2334 353b 2667 743b 6d6f  ility&#45;&gt;mo\n+000033d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000033e0: 5f68 6172 6477 6172 653c 2f74 6974 6c65  _hardware</title\n+000033f0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+00003400: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n+00003410: 6662 6622 2064 3d22 4d31 3935 332e 3938  fbf\" d=\"M1953.98\n+00003420: 2c2d 3130 3834 2e37 3843 3139 3530 2e35  ,-1084.78C1950.5\n+00003430: 352c 2d31 3033 392e 3337 2031 3933 382e  5,-1039.37 1938.\n+00003440: 3338 2c2d 3838 322e 3736 2031 3932 392e  38,-882.76 1929.\n+00003450: 3931 2c2d 3833 332e 3331 2031 3932 372e  91,-833.31 1927.\n+00003460: 3132 2c2d 3831 372e 3036 2031 3932 332e  12,-817.06 1923.\n+00003470: 342c 2d38 3133 2e36 3120 3139 3230 2e39  4,-813.61 1920.9\n+00003480: 312c 2d37 3937 2e33 3120 3138 3937 2e35  1,-797.31 1897.5\n+00003490: 322c 2d36 3434 2e35 3420 3139 3735 2e35  2,-644.54 1975.5\n+000034a0: 352c 2d35 3531 2e34 3320 3138 3533 2e39  5,-551.43 1853.9\n+000034b0: 312c 2d34 3536 2e30 3920 3138 3338 2e30  1,-456.09 1838.0\n+000034c0: 382c 2d34 3433 2e36 3920 3132 3333 2e34  8,-443.69 1233.4\n+000034d0: 322c 2d34 3137 2e32 3520 3130 3534 2e39  2,-417.25 1054.9\n+000034e0: 392c 2d34 3039 2e37 222f 3e0a 3c70 6f6c  9,-409.7\"/>.<pol\n+000034f0: 7967 6f6e 2066 696c 6c3d 2223 6266 6266  ygon fill=\"#bfbf\n+00003500: 6266 2220 7374 726f 6b65 3d22 2362 6662  bf\" stroke=\"#bfb\n+00003510: 6662 6622 2070 6f69 6e74 733d 2231 3035  fbf\" points=\"105\n+00003520: 342e 3938 2c2d 3430 362e 3220 3130 3434  4.98,-406.2 1044\n+00003530: 2e38 342c 2d34 3039 2e32 3820 3130 3534  .84,-409.28 1054\n+00003540: 2e36 392c 2d34 3133 2e32 2031 3035 342e  .69,-413.2 1054.\n+00003550: 3938 2c2d 3430 362e 3222 2f3e 0a3c 2f67  98,-406.2\"/>.</g\n+00003560: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00003570: 635f 6772 6f6d 6163 735f 6d64 7275 6e75  c_gromacs_mdrunu\n+00003580: 7469 6c69 7479 2623 3435 3b26 6774 3b6d  tility&#45;&gt;m\n+00003590: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000035a0: 735f 636f 6d6d 616e 646c 696e 6520 2d2d  s_commandline --\n+000035b0: 3e0a 3c67 2069 643d 2265 6467 6534 2220  >.<g id=\"edge4\" \n+000035c0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+000035d0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+000035e0: 6772 6f6d 6163 735f 6d64 7275 6e75 7469  gromacs_mdrunuti\n+000035f0: 6c69 7479 2623 3435 3b26 6774 3b6d 6f64  lity&#45;&gt;mod\n+00003600: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00003610: 636f 6d6d 616e 646c 696e 653c 2f74 6974  commandline</tit\n+00003620: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00003630: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c  none\" 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743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00003810: 6d61 6373 5f66 696c 6569 6f20 2d2d 3e0a  macs_fileio -->.\n+00003820: 3c67 2069 643d 2265 6467 6531 2220 636c  <g id=\"edge1\" cl\n+00003830: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+00003840: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00003850: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69  omacs_mdrunutili\n+00003860: 7479 2623 3435 3b26 6774 3b6d 6f64 756c  ty&#45;&gt;modul\n+00003870: 655f 7372 635f 6772 6f6d 6163 735f 6669  e_src_gromacs_fi\n+00003880: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061  leio</title>.<pa\n+00003890: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+000038a0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+000038b0: 643d 224d 3139 3430 2e38 372c 2d31 3038  d=\"M1940.87,-108\n+000038c0: 352e 3136 4331 3839 322e 3234 2c2d 3130  5.16C1892.24,-10\n+000038d0: 3337 2e35 3320 3137 3333 2c2d 3836 332e  37.53 1733,-863.\n+000038e0: 3639 2031 3636 352e 3931 2c2d 3833 332e  69 1665.91,-833.\n+000038f0: 3331 2031 3538 322e 3438 2c2d 3739 352e  31 1582.48,-795.\n+00003900: 3532 2031 3330 332e 3138 2c2d 3738 372e  52 1303.18,-787.\n+00003910: 3139 2031 3230 312e 3837 2c2d 3738 352e  19 1201.87,-785.\n+00003920: 3337 222f 3e0a 3c70 6f6c 7967 6f6e 2066  37\"/>.<polygon f\n+00003930: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n+00003940: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n+00003950: 6f69 6e74 733d 2231 3230 312e 3836 2c2d  oints=\"1201.86,-\n+00003960: 3738 312e 3837 2031 3139 312e 382c 2d37  781.87 1191.8,-7\n+00003970: 3835 2e32 2031 3230 312e 3734 2c2d 3738  85.2 1201.74,-78\n+00003980: 382e 3837 2031 3230 312e 3836 2c2d 3738  8.87 1201.86,-78\n+00003990: 312e 3837 222f 3e0a 3c2f 673e 0a3c 212d  1.87\"/>.</g>.<!-\n+000039a0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+000039b0: 6d61 6373 5f6d 6472 756e 202d 2d3e 0a3c  macs_mdrun -->.<\n+000039c0: 6720 6964 3d22 6e6f 6465 3336 2220 636c  g id=\"node36\" cl\n+000039d0: 6173 733d 226e 6f64 6522 3e0a 3c74 6974  ass=\"node\">.<tit\n+000039e0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+000039f0: 6f6d 6163 735f 6d64 7275 6e3c 2f74 6974  omacs_mdrun</tit\n+00003a00: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64  le>.<g id=\"a_nod\n+00003a10: 6533 3622 3e3c 6120 786c 696e 6b3a 6872  e36\"><a xlink:hr\n+00003a20: 6566 3d22 6772 6f75 705f 5f6d 6f64 756c  ef=\"group__modul\n+00003a30: 655f 5f6d 6472 756e 2e78 6874 6d6c 2220  e__mdrun.xhtml\" \n+00003a40: 7461 7267 6574 3d22 5f74 6f70 2220 786c  target=\"_top\" xl\n+00003a50: 696e 6b3a 7469 746c 653d 226d 6472 756e  ink:title=\"mdrun\n+00003a60: 223e 0a3c 656c 6c69 7073 6520 6669 6c6c  \">.<ellipse fill\n+00003a70: 3d22 2365 3563 6366 6622 2073 7472 6f6b  =\"#e5ccff\" strok\n+00003a80: 653d 2262 6c61 636b 2220 6378 3d22 3134  e=\"black\" cx=\"14\n+00003a90: 3433 2e39 3122 2063 793d 222d 3533 322e  43.91\" cy=\"-532.\n+00003aa0: 3422 2072 783d 2233 312e 3233 2220 7279  4\" rx=\"31.23\" ry\n+00003ab0: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874  =\"13.37\"/>.<text\n+00003ac0: 2074 6578 742d 616e 6368 6f72 3d22 6d69   text-anchor=\"mi\n+00003ad0: 6464 6c65 2220 783d 2231 3434 332e 3931  ddle\" x=\"1443.91\n+00003ae0: 2220 793d 222d 3532 392e 3922 2066 6f6e  \" y=\"-529.9\" fon\n+00003af0: 742d 6661 6d69 6c79 3d22 4672 6565 5361  t-family=\"FreeSa\n+00003b00: 6e73 2220 666f 6e74 2d73 697a 653d 2231  ns\" font-size=\"1\n+00003b10: 302e 3030 223e 6d64 7275 6e3c 2f74 6578  0.00\">mdrun</tex\n+00003b20: 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67  t>.</a>.</g>.</g\n+00003b30: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00003b40: 635f 6772 6f6d 6163 735f 6d64 7275 6e75  c_gromacs_mdrunu\n+00003b50: 7469 6c69 7479 2623 3435 3b26 6774 3b6d  tility&#45;&gt;m\n+00003b60: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00003b70: 735f 6d64 7275 6e20 2d2d 3e0a 3c67 2069  s_mdrun -->.<g i\n+00003b80: 643d 2265 6467 6535 2220 636c 6173 733d  d=\"edge5\" class=\n+00003b90: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+00003ba0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00003bb0: 735f 6d64 7275 6e75 7469 6c69 7479 2623  s_mdrunutility&#\n+00003bc0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00003bd0: 635f 6772 6f6d 6163 735f 6d64 7275 6e3c  c_gromacs_mdrun<\n+00003be0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00003bf0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00003c00: 3d22 7265 6422 2064 3d22 4d31 3935 392e  =\"red\" d=\"M1959.\n+00003c10: 3238 2c2d 3130 3834 2e36 4331 3936 352e  28,-1084.6C1965.\n+00003c20: 3934 2c2d 3130 3735 2e33 3420 3139 3736  94,-1075.34 1976\n+00003c30: 2e34 2c2d 3130 3632 2e31 2031 3938 322e  .4,-1062.1 1982.\n+00003c40: 3931 2c2d 3130 3438 2e37 3920 3230 3233  91,-1048.79 2023\n+00003c50: 2e35 322c 2d39 3635 2e37 3920 3230 3335  .52,-965.79 2035\n+00003c60: 2e39 312c 2d39 3430 2e31 3520 3230 3335  .91,-940.15 2035\n+00003c70: 2e39 312c 2d38 3437 2e37 3520 3230 3335  .91,-847.75 2035\n+00003c80: 2e39 312c 2d38 3437 2e37 3520 3230 3335  .91,-847.75 2035\n+00003c90: 2e39 312c 2d38 3437 2e37 3520 3230 3335  .91,-847.75 2035\n+00003ca0: 2e39 312c 2d37 3832 2e38 3820 3230 3335  .91,-782.88 2035\n+00003cb0: 2e39 312c 2d36 3631 2e33 3320 3136 3131  .91,-661.33 1611\n+00003cc0: 2e33 322c 2d35 3637 2e38 3620 3134 3831  .32,-567.86 1481\n+00003cd0: 2e32 332c 2d35 3431 2e31 3322 2f3e 0a3c  .23,-541.13\"/>.<\n+00003ce0: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265  polygon fill=\"re\n+00003cf0: 6422 2073 7472 6f6b 653d 2272 6564 2220  d\" stroke=\"red\" \n+00003d00: 706f 696e 7473 3d22 3134 3831 2e38 332c  points=\"1481.83,\n+00003d10: 2d35 3337 2e36 3820 3134 3731 2e33 332c  -537.68 1471.33,\n+00003d20: 2d35 3339 2e31 3120 3134 3830 2e34 332c  -539.11 1480.43,\n+00003d30: 2d35 3434 2e35 3420 3134 3831 2e38 332c  -544.54 1481.83,\n+00003d40: 2d35 3337 2e36 3822 2f3e 0a3c 2f67 3e0a  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e5ccff\" stroke=\"\n+00003e30: 626c 6163 6b22 2063 783d 2231 3734 342e  black\" cx=\"1744.\n+00003e40: 3931 2220 6379 3d22 2d34 3639 2e35 3322  91\" cy=\"-469.53\"\n+00003e50: 2072 783d 2232 372e 3635 2220 7279 3d22   rx=\"27.65\" ry=\"\n+00003e60: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074  13.37\"/>.<text t\n+00003e70: 6578 742d 616e 6368 6f72 3d22 6d69 6464  ext-anchor=\"midd\n+00003e80: 6c65 2220 783d 2231 3734 342e 3931 2220  le\" x=\"1744.91\" \n+00003e90: 793d 222d 3436 372e 3033 2220 666f 6e74  y=\"-467.03\" font\n+00003ea0: 2d66 616d 696c 793d 2246 7265 6553 616e  -family=\"FreeSan\n+00003eb0: 7322 2066 6f6e 742d 7369 7a65 3d22 3130  s\" font-size=\"10\n+00003ec0: 2e30 3022 3e73 7761 703c 2f74 6578 743e  .00\">swap</text>\n+00003ed0: 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a  .</a>.</g>.</g>.\n+00003ee0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00003ef0: 6772 6f6d 6163 735f 7377 6170 2623 3435  gromacs_swap&#45\n+00003f00: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00003f10: 6772 6f6d 6163 735f 6d64 7275 6e75 7469  gromacs_mdrunuti\n+00003f20: 6c69 7479 202d 2d3e 0a3c 6720 6964 3d22  lity -->.<g id=\"\n+00003f30: 6564 6765 3131 2220 636c 6173 733d 2265  edge11\" class=\"e\n+00003f40: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00003f50: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00003f60: 7377 6170 2623 3435 3b26 6774 3b6d 6f64  swap&#45;&gt;mod\n+00003f70: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00003f80: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469  mdrunutility</ti\n+00003f90: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+00003fa0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+00003fb0: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n+00003fc0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+00003fd0: 3d22 4d31 3736 352e 3833 2c2d 3437 382e  =\"M1765.83,-478.\n+00003fe0: 3443 3137 3731 2e30 322c 2d34 3830 2e31  4C1771.02,-480.1\n+00003ff0: 3220 3137 3736 2e36 322c 2d34 3831 2e37  2 1776.62,-481.7\n+00004000: 3820 3137 3831 2e39 312c 2d34 3832 2e39  8 1781.91,-482.9\n+00004010: 3620 3138 3439 2e31 352c 2d34 3938 2e30  6 1849.15,-498.0\n+00004020: 3220 3230 3434 2e31 2c2d 3436 372e 3438  2 2044.1,-467.48\n+00004030: 2032 3038 392e 3931 2c2d 3531 382e 3936   2089.91,-518.96\n+00004040: 2032 3132 392e 3136 2c2d 3536 332e 3036   2129.16,-563.06\n+00004050: 2032 3038 342e 3632 2c2d 3130 3031 2e30   2084.62,-1001.0\n+00004060: 3420 3230 3439 2e39 312c 2d31 3034 382e  4 2049.91,-1048.\n+00004070: 3739 2032 3033 372e 342c 2d31 3036 362e  79 2037.4,-1066.\n+00004080: 3031 2032 3031 362e 3936 2c2d 3130 3737  01 2016.96,-1077\n+00004090: 2e35 3320 3139 3938 2e32 352c 2d31 3038  .53 1998.25,-108\n+000040a0: 3522 2f3e 0a3c 706f 6c79 676f 6e20 6669  5\"/>.<polygon fi\n+000040b0: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n+000040c0: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n+000040d0: 696e 7473 3d22 3139 3936 2e38 332c 2d31  ints=\"1996.83,-1\n+000040e0: 3038 312e 3739 2031 3938 382e 3637 2c2d  081.79 1988.67,-\n+000040f0: 3130 3838 2e35 3420 3139 3939 2e32 362c  1088.54 1999.26,\n+00004100: 2d31 3038 382e 3335 2031 3939 362e 3833  -1088.35 1996.83\n+00004110: 2c2d 3130 3831 2e37 3922 2f3e 0a3c 2f67  ,-1081.79\"/>.</g\n+00004120: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00004130: 635f 6772 6f6d 6163 735f 7377 6170 2623  c_gromacs_swap&#\n+00004140: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00004150: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n+00004160: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467  s -->.<g id=\"edg\n+00004170: 6531 3222 2063 6c61 7373 3d22 6564 6765  e12\" class=\"edge\n+00004180: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00004190: 5f73 7263 5f67 726f 6d61 6373 5f73 7761  _src_gromacs_swa\n+000041a0: 7026 2334 353b 2667 743b 6d6f 6475 6c65  p&#45;&gt;module\n+000041b0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474  _src_gromacs_mdt\n+000041c0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061  ypes</title>.<pa\n+000041d0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+000041e0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+000041f0: 643d 224d 3137 3337 2e38 312c 2d34 3832  d=\"M1737.81,-482\n+00004200: 2e36 3743 3137 3236 2e36 392c 2d35 3032  .67C1726.69,-502\n+00004210: 2e35 3720 3137 3035 2e38 322c 2d35 3433  .57 1705.82,-543\n+00004220: 2e37 3320 3136 3939 2e39 312c 2d35 3831  .73 1699.91,-581\n+00004230: 2e38 3320 3136 3736 2e36 342c 2d37 3331  .83 1676.64,-731\n+00004240: 2e37 3120 3137 3831 2e32 322c 2d37 3931  .71 1781.22,-791\n+00004250: 2e33 3920 3137 3035 2e39 312c 2d39 3233  .39 1705.91,-923\n+00004260: 2e30 3520 3137 3034 2e34 362c 2d39 3235  .05 1704.46,-925\n+00004270: 2e35 3820 3136 3234 2e35 382c 2d39 3834  .58 1624.58,-984\n+00004280: 2e37 3720 3136 3231 2e39 312c 2d39 3835  .77 1621.91,-985\n+00004290: 2e39 3220 3135 3436 2e31 382c 2d31 3031  .92 1546.18,-101\n+000042a0: 382e 3634 2031 3434 392e 3733 2c2d 3130  8.64 1449.73,-10\n+000042b0: 3239 2e32 3720 3133 3932 2e39 312c 2d31  29.27 1392.91,-1\n+000042c0: 3033 322e 3731 222f 3e0a 3c70 6f6c 7967  032.71\"/>.<polyg\n+000042d0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n+000042e0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+000042f0: 6622 2070 6f69 6e74 733d 2231 3339 322e  f\" points=\"1392.\n+00004300: 3537 2c2d 3130 3239 2e32 3320 3133 3832  57,-1029.23 1382\n+00004310: 2e37 382c 2d31 3033 332e 3238 2031 3339  .78,-1033.28 139\n+00004320: 322e 3936 2c2d 3130 3336 2e32 3220 3133  2.96,-1036.22 13\n+00004330: 3932 2e35 372c 2d31 3032 392e 3233 222f  92.57,-1029.23\"/\n+00004340: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00004350: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73  le_src_gromacs_s\n+00004360: 7761 7026 2334 353b 2667 743b 6d6f 6475  wap&#45;&gt;modu\n+00004370: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67  le_src_gromacs_g\n+00004380: 6d78 6c69 6220 2d2d 3e0a 3c67 2069 643d  mxlib -->.<g id=\n+00004390: 2265 6467 6539 2220 636c 6173 733d 2265  \"edge9\" class=\"e\n+000043a0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+000043b0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000043c0: 7377 6170 2623 3435 3b26 6774 3b6d 6f64  swap&#45;&gt;mod\n+000043d0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000043e0: 676d 786c 6962 3c2f 7469 746c 653e 0a3c  gmxlib</title>.<\n+000043f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00004400: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+00004410: 2220 643d 224d 3137 3432 2e33 362c 2d34  \" d=\"M1742.36,-4\n+00004420: 3535 2e39 3443 3137 3338 2e30 382c 2d34  55.94C1738.08,-4\n+00004430: 3333 2e36 3420 3137 3239 2e39 312c 2d33  33.64 1729.91,-3\n+00004440: 3835 2e36 3820 3137 3239 2e39 312c 2d33  85.68 1729.91,-3\n+00004450: 3434 2e37 3920 3137 3239 2e39 312c 2d33  44.79 1729.91,-3\n+00004460: 3434 2e37 3920 3137 3239 2e39 312c 2d33  44.79 1729.91,-3\n+00004470: 3434 2e37 3920 3137 3239 2e39 312c 2d32  44.79 1729.91,-2\n+00004480: 3739 2e39 3220 3137 3239 2e39 312c 2d32  79.92 1729.91,-2\n+00004490: 3435 2e37 3920 3137 3336 2e36 342c 2d32  45.79 1736.64,-2\n+000044a0: 3330 2e39 3220 3137 3134 2e39 312c 2d32  30.92 1714.91,-2\n+000044b0: 3034 2e36 3120 3136 3935 2e32 322c 2d31  04.61 1695.22,-1\n+000044c0: 3830 2e37 3820 3136 3631 2e39 372c 2d31  80.78 1661.97,-1\n+000044d0: 3638 2e35 3520 3136 3335 2e36 312c 2d31  68.55 1635.61,-1\n+000044e0: 3632 2e33 3522 2f3e 0a3c 706f 6c79 676f  62.35\"/>.<polygo\n+000044f0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n+00004500: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+00004510: 2220 706f 696e 7473 3d22 3136 3336 2e30  \" points=\"1636.0\n+00004520: 342c 2d31 3538 2e38 3720 3136 3235 2e35  4,-158.87 1625.5\n+00004530: 332c 2d31 3630 2e31 3920 3136 3334 2e35  3,-160.19 1634.5\n+00004540: 372c 2d31 3635 2e37 3120 3136 3336 2e30  7,-165.71 1636.0\n+00004550: 342c 2d31 3538 2e38 3722 2f3e 0a3c 2f67  4,-158.87\"/>.</g\n+00004560: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00004570: 635f 6772 6f6d 6163 735f 646f 6d64 6563  c_gromacs_domdec\n+00004580: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465   -->.<g id=\"node\n+00004590: 3239 2220 636c 6173 733d 226e 6f64 6522  29\" class=\"node\"\n+000045a0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+000045b0: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n+000045c0: 6563 3c2f 7469 746c 653e 0a3c 6720 6964  ec</title>.<g id\n+000045d0: 3d22 615f 6e6f 6465 3239 223e 3c61 2078  =\"a_node29\"><a x\n+000045e0: 6c69 6e6b 3a68 7265 663d 2267 726f 7570  link:href=\"group\n+000045f0: 5f5f 6d6f 6475 6c65 5f5f 646f 6d64 6563  __module__domdec\n+00004600: 2e78 6874 6d6c 2220 7461 7267 6574 3d22  .xhtml\" target=\"\n+00004610: 5f74 6f70 2220 786c 696e 6b3a 7469 746c  _top\" xlink:titl\n+00004620: 653d 2264 6f6d 6465 6322 3e0a 3c65 6c6c  e=\"domdec\">.<ell\n+00004630: 6970 7365 2066 696c 6c3d 2223 6535 6363  ipse fill=\"#e5cc\n+00004640: 6666 2220 7374 726f 6b65 3d22 626c 6163  ff\" stroke=\"blac\n+00004650: 6b22 2063 783d 2231 3036 392e 3931 2220  k\" cx=\"1069.91\" \n+00004660: 6379 3d22 2d35 3935 2e32 3722 2072 783d  cy=\"-595.27\" rx=\n+00004670: 2233 362e 3132 2220 7279 3d22 3133 2e33  \"36.12\" ry=\"13.3\n+00004680: 3722 2f3e 0a3c 7465 7874 2074 6578 742d  7\"/>.<text text-\n+00004690: 616e 6368 6f72 3d22 6d69 6464 6c65 2220  anchor=\"middle\" \n+000046a0: 783d 2231 3036 392e 3931 2220 793d 222d  x=\"1069.91\" y=\"-\n+000046b0: 3539 322e 3737 2220 666f 6e74 2d66 616d  592.77\" font-fam\n+000046c0: 696c 793d 2246 7265 6553 616e 7322 2066  ily=\"FreeSans\" f\n+000046d0: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022  ont-size=\"10.00\"\n+000046e0: 3e64 6f6d 6465 633c 2f74 6578 743e 0a3c  >domdec</text>.<\n+000046f0: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21  /a>.</g>.</g>.<!\n+00004700: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00004710: 6f6d 6163 735f 7377 6170 2623 3435 3b26  omacs_swap&#45;&\n+00004720: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00004730: 6f6d 6163 735f 646f 6d64 6563 202d 2d3e  omacs_domdec -->\n+00004740: 0a3c 6720 6964 3d22 6564 6765 3722 2063  .<g id=\"edge7\" c\n+00004750: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00004760: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00004770: 726f 6d61 6373 5f73 7761 7026 2334 353b  romacs_swap&#45;\n+00004780: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00004790: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74  romacs_domdec</t\n+000047a0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+000047b0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+000047c0: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n+000047d0: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+000047e0: 643d 224d 3137 3232 2e32 392c 2d34 3737  d=\"M1722.29,-477\n+000047f0: 2e34 3143 3137 3136 2e30 332c 2d34 3739  .41C1716.03,-479\n+00004800: 2e32 3620 3137 3039 2e32 322c 2d34 3831  .26 1709.22,-481\n+00004810: 2e32 3320 3137 3032 2e39 312c 2d34 3832  .23 1702.91,-482\n+00004820: 2e39 3620 3136 3339 2e37 2c2d 3530 302e  .96 1639.7,-500.\n+00004830: 3237 2031 3632 322e 3635 2c2d 3530 302e  27 1622.65,-500.\n+00004840: 3032 2031 3535 392e 3931 2c2d 3531 382e  02 1559.91,-518.\n+00004850: 3936 2031 3532 352e 3631 2c2d 3532 392e  96 1525.61,-529.\n+00004860: 3332 2031 3531 382e 3831 2c2d 3533 372e  32 1518.81,-537.\n+00004870: 3733 2031 3438 332e 3931 2c2d 3534 352e  73 1483.91,-545.\n+00004880: 3833 2031 3335 322e 3436 2c2d 3537 362e  83 1352.46,-576.\n+00004890: 3335 2031 3139 322e 3834 2c2d 3538 382e  35 1192.84,-588.\n+000048a0: 3131 2031 3131 352e 3834 2c2d 3539 322e  11 1115.84,-592.\n+000048b0: 3234 222f 3e0a 3c70 6f6c 7967 6f6e 2066  24\"/>.<polygon f\n+000048c0: 696c 6c3d 2223 3238 3266 6363 2220 7374  ill=\"#282fcc\" st\n+000048d0: 726f 6b65 3d22 2332 3832 6663 6322 2070  roke=\"#282fcc\" p\n+000048e0: 6f69 6e74 733d 2231 3131 352e 3334 2c2d  oints=\"1115.34,-\n+000048f0: 3538 382e 3736 2031 3130 352e 3533 2c2d  588.76 1105.53,-\n+00004900: 3539 322e 3738 2031 3131 352e 372c 2d35  592.78 1115.7,-5\n+00004910: 3935 2e37 3520 3131 3135 2e33 342c 2d35  95.75 1115.34,-5\n+00004920: 3838 2e37 3622 2f3e 0a3c 2f67 3e0a 3c21  88.76\"/>.</g>.<!\n+00004930: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00004940: 6f6d 6163 735f 7377 6170 2623 3435 3b26  omacs_swap&#45;&\n+00004950: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00004960: 6f6d 6163 735f 6669 6c65 696f 202d 2d3e  omacs_fileio -->\n+00004970: 0a3c 6720 6964 3d22 6564 6765 3822 2063  .<g id=\"edge8\" c\n+00004980: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00004990: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+000049a0: 726f 6d61 6373 5f73 7761 7026 2334 353b  romacs_swap&#45;\n+000049b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+000049c0: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74  romacs_fileio</t\n+000049d0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+000049e0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+000049f0: 2362 6662 6662 6622 2064 3d22 4d31 3732  #bfbfbf\" d=\"M172\n+00004a00: 352e 3638 2c2d 3437 392e 3434 4331 3730  5.68,-479.44C170\n+00004a10: 372e 3737 2c2d 3438 382e 3231 2031 3638  7.77,-488.21 168\n+00004a20: 302e 3737 2c2d 3530 322e 3632 2031 3635  0.77,-502.62 165\n+00004a30: 392e 3931 2c2d 3531 382e 3936 2031 3538  9.91,-518.96 158\n+00004a40: 362e 3235 2c2d 3537 362e 3635 2031 3539  6.25,-576.65 159\n+00004a50: 322e 3838 2c2d 3631 392e 3837 2031 3531  2.88,-619.87 151\n+00004a60: 342e 3931 2c2d 3637 312e 3537 2031 3434  4.91,-671.57 144\n+00004a70: 382e 3831 2c2d 3731 352e 3420 3134 3233  8.81,-715.4 1423\n+00004a80: 2e34 352c 2d37 3130 2e32 3920 3133 3437  .45,-710.29 1347\n+00004a90: 2e39 312c 2d37 3334 2e34 3420 3132 3936  .91,-734.44 1296\n+00004aa0: 2e34 2c2d 3735 302e 3931 2031 3233 352e  .4,-750.91 1235.\n+00004ab0: 3531 2c2d 3736 362e 3231 2031 3139 382e  51,-766.21 1198.\n+00004ac0: 3537 2c2d 3737 352e 3035 222f 3e0a 3c70  57,-775.05\"/>.<p\n+00004ad0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n+00004ae0: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n+00004af0: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n+00004b00: 3139 372e 3734 2c2d 3737 312e 3635 2031  197.74,-771.65 1\n+00004b10: 3138 382e 3832 2c2d 3737 372e 3337 2031  188.82,-777.37 1\n+00004b20: 3139 392e 3336 2c2d 3737 382e 3436 2031  199.36,-778.46 1\n+00004b30: 3139 372e 3734 2c2d 3737 312e 3635 222f  197.74,-771.65\"/\n+00004b40: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00004b50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00004b60: 646c 6962 202d 2d3e 0a3c 6720 6964 3d22  dlib -->.<g id=\"\n+00004b70: 6e6f 6465 3339 2220 636c 6173 733d 226e  node39\" class=\"n\n+00004b80: 6f64 6522 3e0a 3c74 6974 6c65 3e6d 6f64  ode\">.<title>mod\n+00004b90: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00004ba0: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c65  mdlib</title>.<e\n+00004bb0: 6c6c 6970 7365 2066 696c 6c3d 2223 6266  llipse fill=\"#bf\n+00004bc0: 6266 6266 2220 7374 726f 6b65 3d22 626c  bfbf\" stroke=\"bl\n+00004bd0: 6163 6b22 2063 783d 2237 3830 2e39 3122  ack\" cx=\"780.91\"\n+00004be0: 2063 793d 222d 3930 392e 3632 2220 7278   cy=\"-909.62\" rx\n+00004bf0: 3d22 3238 2e30 3722 2072 793d 2231 332e  =\"28.07\" ry=\"13.\n+00004c00: 3337 222f 3e0a 3c74 6578 7420 7465 7874  37\"/>.<text text\n+00004c10: 2d61 6e63 686f 723d 226d 6964 646c 6522  -anchor=\"middle\"\n+00004c20: 2078 3d22 3738 302e 3931 2220 793d 222d   x=\"780.91\" y=\"-\n+00004c30: 3930 372e 3132 2220 666f 6e74 2d66 616d  907.12\" font-fam\n+00004c40: 696c 793d 2246 7265 6553 616e 7322 2066  ily=\"FreeSans\" f\n+00004c50: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022  ont-size=\"10.00\"\n+00004c60: 3e6d 646c 6962 3c2f 7465 7874 3e0a 3c2f  >mdlib</text>.</\n+00004c70: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00004c80: 7263 5f67 726f 6d61 6373 5f73 7761 7026  rc_gromacs_swap&\n+00004c90: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00004ca0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n+00004cb0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+00004cc0: 3130 2220 636c 6173 733d 2265 6467 6522  10\" class=\"edge\"\n+00004cd0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00004ce0: 7372 635f 6772 6f6d 6163 735f 7377 6170  src_gromacs_swap\n+00004cf0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00004d00: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n+00004d10: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n+00004d20: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00004d30: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n+00004d40: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n+00004d50: 2c32 2220 643d 224d 3137 3232 2e38 332c  ,2\" d=\"M1722.83,\n+00004d60: 2d34 3738 4331 3639 372e 3534 2c2d 3438  -478C1697.54,-48\n+00004d70: 362e 3831 2031 3635 352e 3035 2c2d 3530  6.81 1655.05,-50\n+00004d80: 322e 3336 2031 3631 392e 3931 2c2d 3531  2.36 1619.91,-51\n+00004d90: 382e 3936 2031 3439 342e 3932 2c2d 3537  8.96 1494.92,-57\n+00004da0: 3820 3134 3639 2e35 392c 2d36 3034 2e31  8 1469.59,-604.1\n+00004db0: 3720 3133 3438 2e39 312c 2d36 3731 2e35  7 1348.91,-671.5\n+00004dc0: 3720 3133 3230 2e30 382c 2d36 3837 2e36  7 1320.08,-687.6\n+00004dd0: 3720 3133 3132 2e35 332c 2d36 3931 2e31  7 1312.53,-691.1\n+00004de0: 2031 3238 332e 3931 2c2d 3730 372e 3537   1283.91,-707.57\n+00004df0: 2031 3236 332e 3732 2c2d 3731 392e 3139   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rocess&#45;&gt;m\n+00005180: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00005190: 735f 6d64 7479 7065 733c 2f74 6974 6c65  s_mdtypes</title\n+000051a0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+000051b0: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n+000051c0: 6662 6622 2064 3d22 4d31 3039 322e 3436  fbf\" d=\"M1092.46\n+000051d0: 2c2d 3131 3437 2e39 3143 3131 3133 2e38  ,-1147.91C1113.8\n+000051e0: 342c 2d31 3133 312e 3634 2031 3135 332e  4,-1131.64 1153.\n+000051f0: 3936 2c2d 3131 3032 2e38 2031 3139 312e  96,-1102.8 1191.\n+00005200: 3931 2c2d 3130 3834 2e37 3920 3132 3238  91,-1084.79 1228\n+00005210: 2e34 372c 2d31 3036 372e 3433 2031 3237  .47,-1067.43 127\n+00005220: 322e 3831 2c2d 3130 3534 2e31 3820 3133  2.81,-1054.18 13\n+00005230: 3034 2e33 322c 2d31 3034 352e 3936 222f  04.32,-1045.96\"/\n+00005240: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00005250: 2223 6266 6266 6266 2220 7374 726f 6b65  \"#bfbfbf\" 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436.89,-558.45\n-00005c00: 2033 3932 2c2d 3438 322e 3936 2033 3534   392,-482.96 354\n-00005c10: 2e37 312c 2d34 3230 2e32 3620 3334 362e  .71,-420.26 346.\n-00005c20: 3232 2c2d 3139 3020 3334 342e 3434 2c2d  22,-190 344.44,-\n-00005c30: 3131 362e 3232 222f 3e0a 3c70 6f6c 7967  116.22\"/>.<polyg\n-00005c40: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n-00005c50: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-00005c60: 6322 2070 6f69 6e74 733d 2233 3437 2e39  c\" points=\"347.9\n-00005c70: 332c 2d31 3135 2e36 3920 3334 342e 3231  3,-115.69 344.21\n-00005c80: 2c2d 3130 352e 3737 2033 3430 2e39 332c  ,-105.77 340.93,\n-00005c90: 2d31 3135 2e38 3420 3334 372e 3933 2c2d  -115.84 347.93,-\n-00005ca0: 3131 352e 3639 222f 3e0a 3c2f 673e 0a3c  115.69\"/>.</g>.<\n-00005cb0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-00005cc0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66  romacs_applied_f\n-00005cd0: 6f72 6365 7320 2d2d 3e0a 3c67 2069 643d  orces -->.<g 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653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-000064d0: 5f67 726f 6d61 6373 5f61 7070 6c69 6564  _gromacs_applied\n-000064e0: 5f66 6f72 6365 7326 2334 353b 2667 743b  _forces&#45;&gt;\n-000064f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00006500: 6373 5f72 616e 646f 6d3c 2f74 6974 6c65  cs_random</title\n-00006510: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00006520: 6e65 2220 7374 726f 6b65 3d22 626c 6163  ne\" stroke=\"blac\n-00006530: 6b22 2073 7472 6f6b 652d 6461 7368 6172  k\" stroke-dashar\n-00006540: 7261 793d 2235 2c32 2220 643d 224d 3137  ray=\"5,2\" d=\"M17\n-00006550: 3830 2e34 382c 2d31 3531 2e34 3943 3137  80.48,-151.49C17\n-00006560: 3234 2e32 352c 2d31 3438 2e37 3820 3136  24.25,-148.78 16\n-00006570: 3334 2e30 312c 2d31 3434 2e36 2031 3535  34.01,-144.6 155\n-00006580: 362c 2d31 3431 2e37 3420 3939 372e 3438  6,-141.74 997.48\n-00006590: 2c2d 3132 312e 3320 3835 362e 392c 2d31  ,-121.3 856.9,-1\n-000065a0: 3339 2e30 3220 3239 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3d22 6e6f  ode13\" class=\"no\n-00006690: 6465 223e 0a3c 7469 746c 653e 6d6f 6475  de\">.<title>modu\n-000066a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-000066b0: 6472 756e 7574 696c 6974 793c 2f74 6974  drunutility</tit\n-000066c0: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64  le>.<g id=\"a_nod\n-000066d0: 6531 3322 3e3c 6120 786c 696e 6b3a 6872  e13\"><a xlink:hr\n-000066e0: 6566 3d22 6772 6f75 705f 5f6d 6f64 756c  ef=\"group__modul\n-000066f0: 655f 5f6d 6472 756e 7574 696c 6974 792e  e__mdrunutility.\n-00006700: 7868 746d 6c22 2074 6172 6765 743d 225f  xhtml\" target=\"_\n-00006710: 746f 7022 2078 6c69 6e6b 3a74 6974 6c65  top\" xlink:title\n-00006720: 3d22 6d64 7275 6e75 7469 6c69 7479 223e  =\"mdrunutility\">\n-00006730: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22  .<ellipse fill=\"\n-00006740: 2365 3563 6366 6622 2073 7472 6f6b 653d  #e5ccff\" stroke=\n-00006750: 2262 6c61 636b 2220 6378 3d22 3132 3231  \"black\" cx=\"1221\n-00006760: 2220 6379 3d22 2d32 3830 2e39 3222 2072  \" cy=\"-280.92\" r\n-00006770: 783d 2234 372e 3235 2220 7279 3d22 3133  x=\"47.25\" ry=\"13\n-00006780: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n-00006790: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n-000067a0: 2220 783d 2231 3232 3122 2079 3d22 2d32  \" x=\"1221\" y=\"-2\n-000067b0: 3738 2e34 3222 2066 6f6e 742d 6661 6d69  78.42\" font-fami\n-000067c0: 6c79 3d22 4672 6565 5361 6e73 2220 666f  ly=\"FreeSans\" fo\n-000067d0: 6e74 2d73 697a 653d 2231 302e 3030 223e  nt-size=\"10.00\">\n-000067e0: 6d64 7275 6e75 7469 6c69 7479 3c2f 7465  mdrunutility</te\n-000067f0: 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f  xt>.</a>.</g>.</\n-00006800: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00006810: 7263 5f67 726f 6d61 6373 5f61 7070 6c69  rc_gromacs_appli\n-00006820: 6564 5f66 6f72 6365 7326 2334 353b 2667  ed_forces&#45;&g\n-00006830: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00006840: 6d61 6373 5f6d 6472 756e 7574 696c 6974  macs_mdrunutilit\n-00006850: 7920 2d2d 3e0a 3c67 2069 643d 2265 6467  y -->.<g id=\"edg\n-00006860: 6532 3722 2063 6c61 7373 3d22 6564 6765  e27\" class=\"edge\n-00006870: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00006880: 5f73 7263 5f67 726f 6d61 6373 5f61 7070  _src_gromacs_app\n-00006890: 6c69 6564 5f66 6f72 6365 7326 2334 353b  lied_forces&#45;\n-000068a0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-000068b0: 726f 6d61 6373 5f6d 6472 756e 7574 696c  romacs_mdrunutil\n-000068c0: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174  ity</title>.<pat\n-000068d0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-000068e0: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n-000068f0: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n-00006900: 2235 2c32 2220 643d 224d 3137 3933 2e39  \"5,2\" d=\"M1793.9\n-00006910: 352c 2d31 3634 2e34 3543 3136 3834 2e31  5,-164.45C1684.1\n-00006920: 392c 2d31 3836 2e35 3720 3133 3834 2e34  9,-186.57 1384.4\n-00006930: 312c 2d32 3436 2e39 3820 3132 3638 2e30  1,-246.98 1268.0\n-00006940: 352c 2d32 3730 2e34 3322 2f3e 0a3c 706f  5,-270.43\"/>.<po\n-00006950: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-00006960: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-00006970: 3266 6363 2220 706f 696e 7473 3d22 3132  2fcc\" points=\"12\n-00006980: 3637 2e31 342c 2d32 3637 2e30 3520 3132  67.14,-267.05 12\n-00006990: 3538 2e30 332c 2d32 3732 2e34 3520 3132  58.03,-272.45 12\n-000069a0: 3638 2e35 322c 2d32 3733 2e39 3120 3132  68.52,-273.91 12\n-000069b0: 3637 2e31 342c 2d32 3637 2e30 3522 2f3e  67.14,-267.05\"/>\n-000069c0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-000069d0: 655f 7372 635f 6772 6f6d 6163 735f 6170  e_src_gromacs_ap\n-000069e0: 706c 6965 645f 666f 7263 6573 2623 3435  plied_forces&#45\n-000069f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00006a00: 6772 6f6d 6163 735f 6d64 7479 7065 7320  gromacs_mdtypes \n-00006a10: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n-00006a20: 3122 2063 6c61 7373 3d22 6564 6765 223e  1\" class=\"edge\">\n-00006a30: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00006a40: 7263 5f67 726f 6d61 6373 5f61 7070 6c69  rc_gromacs_appli\n-00006a50: 6564 5f66 6f72 6365 7326 2334 353b 2667  ed_forces&#45;&g\n-00006a60: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00006a70: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469  macs_mdtypes</ti\n-00006a80: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-00006a90: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-00006aa0: 6266 6266 6266 2220 643d 224d 3138 3733  bfbfbf\" d=\"M1873\n-00006ab0: 2e37 392c 2d31 3635 2e30 3143 3139 3130  .79,-165.01C1910\n-00006ac0: 2e39 362c 2d31 3734 2e32 3120 3139 3633  .96,-174.21 1963\n-00006ad0: 2e34 392c 2d31 3839 2e33 3920 3139 3738  .49,-189.39 1978\n-00006ae0: 2c2d 3230 342e 3631 2032 3034 362e 3238  ,-204.61 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6d70 6174 3c2f 7465 7874 3e0a 3c2f  compat</text>.</\n-00006da0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n-00006db0: 7263 5f67 726f 6d61 6373 5f61 7070 6c69  rc_gromacs_appli\n-00006dc0: 6564 5f66 6f72 6365 7326 2334 353b 2667  ed_forces&#45;&g\n-00006dd0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00006de0: 6d61 6373 5f63 6f6d 7061 7420 2d2d 3e0a  macs_compat -->.\n-00006df0: 3c67 2069 643d 2265 6467 6533 3022 2063  <g id=\"edge30\" c\n-00006e00: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-00006e10: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-00006e20: 726f 6d61 6373 5f61 7070 6c69 6564 5f66  romacs_applied_f\n-00006e30: 6f72 6365 7326 2334 353b 2667 743b 6d6f  orces&#45;&gt;mo\n-00006e40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00006e50: 5f63 6f6d 7061 743c 2f74 6974 6c65 3e0a  _compat</title>.\n-00006e60: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-00006e70: 2220 7374 726f 6b65 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c_gromacs_nbnxm&\n-0000a680: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0000a690: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n-0000a6a0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-0000a6b0: 3530 2220 636c 6173 733d 2265 6467 6522  50\" class=\"edge\"\n-0000a6c0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-0000a6d0: 7372 635f 6772 6f6d 6163 735f 6e62 6e78  src_gromacs_nbnx\n-0000a6e0: 6d26 2334 353b 2667 743b 6d6f 6475 6c65  m&#45;&gt;module\n-0000a6f0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c  _src_gromacs_mdl\n-0000a700: 6962 3c2f 7469 746c 653e 0a3c 7061 7468  ib</title>.<path\n-0000a710: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-0000a720: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n-0000a730: 224d 3135 3233 2e30 372c 2d37 3935 2e38  \"M1523.07,-795.8\n-0000a740: 3443 3134 3730 2e37 2c2d 3832 382e 3031  4C1470.7,-828.01\n-0000a750: 2031 3330 342e 3837 2c2d 3932 322e 3134   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tle>module_src_g\n-0000abc0: 726f 6d61 6373 5f6e 626e 786d 2623 3435  romacs_nbnxm&#45\n-0000abd0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0000abe0: 6772 6f6d 6163 735f 6c69 7374 6564 5f66  gromacs_listed_f\n-0000abf0: 6f72 6365 733c 2f74 6974 6c65 3e0a 3c70  orces</title>.<p\n-0000ac00: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-0000ac10: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-0000ac20: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-0000ac30: 793d 2235 2c32 2220 643d 224d 3135 3138  y=\"5,2\" d=\"M1518\n-0000ac40: 2e36 322c 2d37 3733 2e33 3643 3135 3032  .62,-773.36C1502\n-0000ac50: 2e34 312c 2d37 3634 2e33 3920 3134 3830  .41,-764.39 1480\n-0000ac60: 2e30 322c 2d37 3530 2e37 3220 3134 3633  .02,-750.72 1463\n-0000ac70: 2e33 352c 2d37 3339 2e37 3422 2f3e 0a3c  .35,-739.74\"/>.<\n-0000ac80: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n-0000ac90: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" 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ule_src_gromacs_\n-0000af40: 6861 7264 7761 7265 3c2f 7469 746c 653e  hardware</title>\n-0000af50: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-0000af60: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n-0000af70: 6266 2220 643d 224d 3132 3234 2e38 372c  bf\" d=\"M1224.87,\n-0000af80: 2d32 3934 2e35 4331 3233 342e 3531 2c2d  -294.5C1234.51,-\n-0000af90: 3332 352e 3131 2031 3236 302e 3235 2c2d  325.11 1260.25,-\n-0000afa0: 3430 322e 3237 2031 3238 302c 2d34 3230  402.27 1280,-420\n-0000afb0: 2e30 3920 3133 3230 2e30 382c 2d34 3536  .09 1320.08,-456\n-0000afc0: 2e32 3520 3133 3633 2e39 382c 2d34 3132  .25 1363.98,-412\n-0000afd0: 2e36 3320 3133 3936 2c2d 3435 362e 3039  .63 1396,-456.09\n-0000afe0: 2031 3436 392e 3438 2c2d 3535 352e 3834   1469.48,-555.84\n-0000aff0: 2031 3333 332e 3939 2c2d 3631 392e 3832   1333.99,-619.82\n-0000b000: 2031 3338 312c 2d37 3334 2e34 3420 3134   1381,-734.44 14\n-0000b010: 3130 2e37 382c 2d38 3037 2e30 3620 3134  10.78,-807.06 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le_src_gromacs_m\n-0000b100: 6472 756e 7574 696c 6974 7926 2334 353b  drunutility&#45;\n-0000b110: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0000b120: 726f 6d61 6373 5f67 6d78 6c69 6220 2d2d  romacs_gmxlib --\n-0000b130: 3e0a 3c67 2069 643d 2265 6467 6535 3522  >.<g id=\"edge55\"\n-0000b140: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-0000b150: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-0000b160: 5f67 726f 6d61 6373 5f6d 6472 756e 7574  _gromacs_mdrunut\n-0000b170: 696c 6974 7926 2334 353b 2667 743b 6d6f  ility&#45;&gt;mo\n-0000b180: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000b190: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a  _gmxlib</title>.\n-0000b1a0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-0000b1b0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-0000b1c0: 6622 2064 3d22 4d31 3231 342e 3639 2c2d  f\" d=\"M1214.69,-\n-0000b1d0: 3239 342e 3532 4331 3230 322e 3531 2c2d  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cy=\"-343.79\n-0000c610: 2220 7278 3d22 3237 2220 7279 3d22 3133  \" rx=\"27\" ry=\"13\n-0000c620: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578  .37\"/>.<text tex\n-0000c630: 742d 616e 6368 6f72 3d22 6d69 6464 6c65  t-anchor=\"middle\n-0000c640: 2220 783d 2232 3937 2220 793d 222d 3334  \" x=\"297\" y=\"-34\n-0000c650: 312e 3239 2220 666f 6e74 2d66 616d 696c  1.29\" font-famil\n-0000c660: 793d 2246 7265 6553 616e 7322 2066 6f6e  y=\"FreeSans\" fon\n-0000c670: 742d 7369 7a65 3d22 3130 2e30 3022 3e61  t-size=\"10.00\">a\n-0000c680: 7768 3c2f 7465 7874 3e0a 3c2f 613e 0a3c  wh</text>.</a>.<\n-0000c690: 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  /g>.</g>.<!-- mo\n-0000c6a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000c6b0: 5f6d 6474 7970 6573 2623 3435 3b26 6774  _mdtypes&#45;&gt\n-0000c6c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0000c6d0: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n-0000c6e0: 6573 5f61 7768 202d 2d3e 0a3c 6720 6964  es_awh -->.<g id\n-0000c6f0: 3d22 6564 6765 3634 2220 636c 6173 733d  =\"edge64\" class=\n-0000c700: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-0000c710: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-0000c720: 735f 6d64 7479 7065 7326 2334 353b 2667  s_mdtypes&#45;&g\n-0000c730: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0000c740: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n-0000c750: 6365 735f 6177 683c 2f74 6974 6c65 3e0a  ces_awh</title>.\n-0000c760: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-0000c770: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-0000c780: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n-0000c790: 7261 793d 2235 2c32 2220 643d 224d 3135  ray=\"5,2\" d=\"M15\n-0000c7a0: 3135 2e38 312c 2d31 3033 332e 3639 4331  15.81,-1033.69C1\n-0000c7b0: 3339 342e 3936 2c2d 3130 3331 2e31 3520  394.96,-1031.15 \n-0000c7c0: 3130 3233 2e30 372c 2d31 3032 302e 3433  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ry=\"1\n-0000c990: 332e 3337 222f 3e0a 3c74 6578 7420 7465  3.37\"/>.<text te\n-0000c9a0: 7874 2d61 6e63 686f 723d 226d 6964 646c  xt-anchor=\"middl\n-0000c9b0: 6522 2078 3d22 3133 3131 2220 793d 222d  e\" x=\"1311\" y=\"-\n-0000c9c0: 3236 2e39 3422 2066 6f6e 742d 6661 6d69  26.94\" font-fami\n-0000c9d0: 6c79 3d22 4672 6565 5361 6e73 2220 666f  ly=\"FreeSans\" fo\n-0000c9e0: 6e74 2d73 697a 653d 2231 302e 3030 223e  nt-size=\"10.00\">\n-0000c9f0: 6573 7365 6e74 6961 6c64 796e 616d 6963  essentialdynamic\n-0000ca00: 733c 2f74 6578 743e 0a3c 2f67 3e0a 3c21  s</text>.</g>.<!\n-0000ca10: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-0000ca20: 6f6d 6163 735f 6573 7365 6e74 6961 6c64  omacs_essentiald\n-0000ca30: 796e 616d 6963 7326 2334 353b 2667 743b  ynamics&#45;&gt;\n-0000ca40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000ca50: 6373 5f67 6d78 6c69 6220 2d2d 3e0a 3c67  cs_gmxlib -->.<g\n-0000ca60: 2069 643d 2265 6467 6537 3022 2063 6c61   id=\"edge70\" 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7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-0000cd20: 5f73 7263 5f67 726f 6d61 6373 5f65 7373  _src_gromacs_ess\n-0000cd30: 656e 7469 616c 6479 6e61 6d69 6373 2623  entialdynamics&#\n-0000cd40: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0000cd50: 635f 6772 6f6d 6163 735f 6d64 7275 6e75  c_gromacs_mdrunu\n-0000cd60: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c  tility</title>.<\n-0000cd70: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-0000cd80: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-0000cd90: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-0000cda0: 6179 3d22 352c 3222 2064 3d22 4d31 3330  ay=\"5,2\" d=\"M130\n-0000cdb0: 362e 3432 2c2d 3433 2e31 3243 3132 3931  6.42,-43.12C1291\n-0000cdc0: 2e39 392c 2d38 332e 3133 2031 3234 372e  .99,-83.13 1247.\n-0000cdd0: 3332 2c2d 3230 362e 3935 2031 3232 382e  32,-206.95 1228.\n-0000cde0: 3938 2c2d 3235 372e 3738 222f 3e0a 3c70  98,-257.78\"/>.<p\n-0000cdf0: 6f6c 7967 6f6e 2066 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6f64 756c  e\">.<title>modul\n-0000cee0: 655f 7372 635f 6772 6f6d 6163 735f 6573  e_src_gromacs_es\n-0000cef0: 7365 6e74 6961 6c64 796e 616d 6963 7326  sentialdynamics&\n-0000cf00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0000cf10: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n-0000cf20: 6573 3c2f 7469 746c 653e 0a3c 7061 7468  es</title>.<path\n-0000cf30: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-0000cf40: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n-0000cf50: 224d 3133 3739 2e33 2c2d 3331 2e39 3343  \"M1379.3,-31.93C\n-0000cf60: 3135 3532 2e32 2c2d 3336 2e31 2032 3030  1552.2,-36.1 200\n-0000cf70: 332e 3839 2c2d 3439 2e35 3420 3231 3531  3.89,-49.54 2151\n-0000cf80: 2c2d 3738 2e38 3720 3232 3931 2e37 312c  ,-78.87 2291.71,\n-0000cf90: 2d31 3036 2e39 3320 3233 3832 2e33 382c  -106.93 2382.38,\n-0000cfa0: 2d31 3237 2e33 3120 3234 3133 2c2d 3236  -127.31 2413,-26\n-0000cfb0: 372e 3438 2032 3431 382e 3938 2c2d 3239  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3,-1033.7\"/>.<po\n-0000d0a0: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n-0000d0b0: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n-0000d0c0: 6266 6266 2220 706f 696e 7473 3d22 3136  bfbf\" points=\"16\n-0000d0d0: 3032 2e32 382c 2d31 3033 302e 3220 3135  02.28,-1030.2 15\n-0000d0e0: 3932 2e33 342c 2d31 3033 332e 3837 2031  92.34,-1033.87 1\n-0000d0f0: 3630 322e 342c 2d31 3033 372e 3220 3136  602.4,-1037.2 16\n-0000d100: 3032 2e32 382c 2d31 3033 302e 3222 2f3e  02.28,-1030.2\"/>\n-0000d110: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-0000d120: 655f 7372 635f 6772 6f6d 6163 735f 6573  e_src_gromacs_es\n-0000d130: 7365 6e74 6961 6c64 796e 616d 6963 7326  sentialdynamics&\n-0000d140: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0000d150: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61  rc_gromacs_comma\n-0000d160: 6e64 6c69 6e65 202d 2d3e 0a3c 6720 6964  ndline -->.<g id\n-0000d170: 3d22 6564 6765 3637 2220 636c 6173 733d  =\"edge67\" 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1146.51\n-0000d260: 2c2d 3333 322e 3834 2031 3133 362e 3734  ,-332.84 1136.74\n-0000d270: 2c2d 3336 322e 3636 2031 3137 332c 2d34  ,-362.66 1173,-4\n-0000d280: 3230 2e30 3920 3131 3833 2e31 382c 2d34  20.09 1183.18,-4\n-0000d290: 3336 2e32 3220 3132 3030 2e37 352c 2d34  36.22 1200.75,-4\n-0000d2a0: 3437 2e34 3420 3132 3137 2e34 352c 2d34  47.44 1217.45,-4\n-0000d2b0: 3534 2e39 3922 2f3e 0a3c 706f 6c79 676f  54.99\"/>.<polygo\n-0000d2c0: 6e20 6669 6c6c 3d22 626c 6163 6b22 2073  n fill=\"black\" s\n-0000d2d0: 7472 6f6b 653d 2262 6c61 636b 2220 706f  troke=\"black\" po\n-0000d2e0: 696e 7473 3d22 3132 3136 2e35 342c 2d34  ints=\"1216.54,-4\n-0000d2f0: 3538 2e34 3120 3132 3237 2e31 312c 2d34  58.41 1227.11,-4\n-0000d300: 3539 2e30 3220 3132 3139 2e32 332c 2d34  59.02 1219.23,-4\n-0000d310: 3531 2e39 3420 3132 3136 2e35 342c 2d34  51.94 1216.54,-4\n-0000d320: 3538 2e34 3122 2f3e 0a3c 2f67 3e0a 3c21  58.41\"/>.</g>.<!\n-0000d330: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-0000d340: 6f6d 6163 735f 6573 7365 6e74 6961 6c64  omacs_essentiald\n-0000d350: 796e 616d 6963 7326 2334 353b 2667 743b  ynamics&#45;&gt;\n-0000d360: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000d370: 6373 5f6d 646c 6962 202d 2d3e 0a3c 6720  cs_mdlib -->.<g \n-0000d380: 6964 3d22 6564 6765 3731 2220 636c 6173  id=\"edge71\" clas\n-0000d390: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-0000d3a0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-0000d3b0: 6163 735f 6573 7365 6e74 6961 6c64 796e  acs_essentialdyn\n-0000d3c0: 616d 6963 7326 2334 353b 2667 743b 6d6f  amics&#45;&gt;mo\n-0000d3d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000d3e0: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c  _mdlib</title>.<\n-0000d3f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-0000d400: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n-0000d410: 2220 643d 224d 3133 3136 2e33 382c 2d34  \" 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950.23\"/>.<polyg\n-0000d500: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n-0000d510: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n-0000d520: 6622 2070 6f69 6e74 733d 2231 3231 392e  f\" points=\"1219.\n-0000d530: 3936 2c2d 3934 382e 3839 2031 3231 382e  96,-948.89 1218.\n-0000d540: 342c 2d39 3539 2e33 3720 3132 3236 2e31  4,-959.37 1226.1\n-0000d550: 362c 2d39 3532 2e31 3520 3132 3139 2e39  6,-952.15 1219.9\n-0000d560: 362c 2d39 3438 2e38 3922 2f3e 0a3c 2f67  6,-948.89\"/>.</g\n-0000d570: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-0000d580: 635f 6772 6f6d 6163 735f 6573 7365 6e74  c_gromacs_essent\n-0000d590: 6961 6c64 796e 616d 6963 7326 2334 353b  ialdynamics&#45;\n-0000d5a0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0000d5b0: 726f 6d61 6373 5f66 696c 6569 6f20 2d2d  romacs_fileio --\n-0000d5c0: 3e0a 3c67 2069 643d 2265 6467 6536 3922  >.<g id=\"edge69\"\n-0000d5d0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-0000d5e0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-0000d5f0: 5f67 726f 6d61 6373 5f65 7373 656e 7469  _gromacs_essenti\n-0000d600: 616c 6479 6e61 6d69 6373 2623 3435 3b26  aldynamics&#45;&\n-0000d610: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-0000d620: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469  omacs_fileio</ti\n-0000d630: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-0000d640: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-0000d650: 6266 6266 6266 2220 643d 224d 3132 3434  bfbfbf\" d=\"M1244\n-0000d660: 2e32 372c 2d33 332e 3239 4331 3034 352e  .27,-33.29C1045.\n-0000d670: 3938 2c2d 3432 2e36 3720 3437 342c 2d37  98,-42.67 474,-7\n-0000d680: 362e 3436 2034 3734 2c2d 3135 342e 3138  6.46 474,-154.18\n-0000d690: 2034 3734 2c2d 3238 312e 3932 2034 3734   474,-281.92 474\n-0000d6a0: 2c2d 3238 312e 3932 2034 3734 2c2d 3238  ,-281.92 474,-28\n-0000d6b0: 312e 3932 2034 3734 2c2d 3332 332e 3336  1.92 474,-323.36\n-0000d6c0: 2034 3933 2e39 362c 2d33 3335 2e30 3820   493.96,-335.08 \n-0000d6d0: 3532 392c 2d33 3537 2e32 3220 3536 352e  529,-357.22 565.\n-0000d6e0: 3036 2c2d 3338 3020 3638 362e 3932 2c2d  06,-380 686.92,-\n-0000d6f0: 3339 352e 3520 3734 382e 362c 2d34 3032  395.5 748.6,-402\n-0000d700: 2e30 3922 2f3e 0a3c 706f 6c79 676f 6e20  .09\"/>.<polygon \n-0000d710: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n-0000d720: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-0000d730: 706f 696e 7473 3d22 3734 382e 3336 2c2d  points=\"748.36,-\n-0000d740: 3430 352e 3538 2037 3538 2e36 372c 2d34  405.58 758.67,-4\n-0000d750: 3033 2e31 3420 3734 392e 3039 2c2d 3339  03.14 749.09,-39\n-0000d760: 382e 3632 2037 3438 2e33 362c 2d34 3035  8.62 748.36,-405\n-0000d770: 2e35 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .58\"/>.</g>.<!--\n-0000d780: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-0000d790: 6163 735f 6573 7365 6e74 6961 6c64 796e  acs_essentialdyn\n-0000d7a0: 616d 6963 7326 2334 353b 2667 743b 6d6f  amics&#45;&gt;mo\n-0000d7b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000d7c0: 5f64 6f6d 6465 6320 2d2d 3e0a 3c67 2069  _domdec -->.<g i\n-0000d7d0: 643d 2265 6467 6536 3822 2063 6c61 7373  d=\"edge68\" class\n-0000d7e0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-0000d7f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000d800: 6373 5f65 7373 656e 7469 616c 6479 6e61  cs_essentialdyna\n-0000d810: 6d69 6373 2623 3435 3b26 6774 3b6d 6f64  mics&#45;&gt;mod\n-0000d820: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000d830: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c  domdec</title>.<\n-0000d840: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-0000d850: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-0000d860: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-0000d870: 6179 3d22 352c 3222 2064 3d22 4d31 3338  ay=\"5,2\" 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362e 3135 222f 3e0a 3c70 6f6c 7967 6f6e  6.15\"/>.<polygon\n-0000d970: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n-0000d980: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-0000d990: 2070 6f69 6e74 733d 2231 3633 362e 3734   points=\"1636.74\n-0000d9a0: 2c2d 3635 322e 3635 2031 3632 362e 3834  ,-652.65 1626.84\n-0000d9b0: 2c2d 3635 362e 3433 2031 3633 362e 3933  ,-656.43 1636.93\n-0000d9c0: 2c2d 3635 392e 3635 2031 3633 362e 3734  ,-659.65 1636.74\n-0000d9d0: 2c2d 3635 322e 3635 222f 3e0a 3c2f 673e  ,-652.65\"/>.</g>\n-0000d9e0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-0000d9f0: 5f67 726f 6d61 6373 5f74 696d 696e 6720  _gromacs_timing \n-0000da00: 2d2d 3e0a 3c67 2069 643d 226e 6f64 6531  -->.<g id=\"node1\n-0000da10: 3722 2063 6c61 7373 3d22 6e6f 6465 223e  7\" class=\"node\">\n-0000da20: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-0000da30: 7263 5f67 726f 6d61 6373 5f74 696d 696e  rc_gromacs_timin\n-0000da40: 673c 2f74 6974 6c65 3e0a 3c65 6c6c 6970  g</title>.<ellip\n-0000da50: 7365 2066 696c 6c3d 2223 6266 6266 6266  se fill=\"#bfbfbf\n-0000da60: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n-0000da70: 2063 783d 2231 3534 3222 2063 793d 222d   cx=\"1542\" cy=\"-\n-0000da80: 3130 3938 2e32 3322 2072 783d 2233 302e  1098.23\" rx=\"30.\n-0000da90: 3331 2220 7279 3d22 3133 2e33 3722 2f3e  31\" ry=\"13.37\"/>\n-0000daa0: 0a3c 7465 7874 2074 6578 742d 616e 6368  .<text text-anch\n-0000dab0: 6f72 3d22 6d69 6464 6c65 2220 783d 2231  or=\"middle\" x=\"1\n-0000dac0: 3534 3222 2079 3d22 2d31 3039 352e 3733  542\" y=\"-1095.73\n-0000dad0: 2220 666f 6e74 2d66 616d 696c 793d 2246  \" font-family=\"F\n-0000dae0: 7265 6553 616e 7322 2066 6f6e 742d 7369  reeSans\" font-si\n-0000daf0: 7a65 3d22 3130 2e30 3022 3e74 696d 696e  ze=\"10.00\">timin\n-0000db00: 673c 2f74 6578 743e 0a3c 2f67 3e0a 3c21  g</text>.</g>.<!\n-0000db10: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-0000db20: 6f6d 6163 735f 7469 6d69 6e67 2623 3435  omacs_timing&#45\n-0000db30: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0000db40: 6772 6f6d 6163 735f 6d64 7479 7065 7320  gromacs_mdtypes \n-0000db50: 2d2d 3e0a 3c67 2069 643d 2265 6467 6537  -->.<g id=\"edge7\n-0000db60: 3422 2063 6c61 7373 3d22 6564 6765 223e  4\" class=\"edge\">\n-0000db70: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-0000db80: 7263 5f67 726f 6d61 6373 5f74 696d 696e  rc_gromacs_timin\n-0000db90: 6726 2334 353b 2667 743b 6d6f 6475 6c65  g&#45;&gt;module\n-0000dba0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474  _src_gromacs_mdt\n-0000dbb0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061  ypes</title>.<pa\n-0000dbc0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-0000dbd0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-0000dbe0: 643d 224d 3135 3434 2e34 392c 2d31 3038  d=\"M1544.49,-108\n-0000dbf0: 342e 3631 4331 3534 352e 3935 2c2d 3130  4.61C1545.95,-10\n-0000dc00: 3737 2e31 3920 3135 3437 2e38 352c 2d31  77.19 1547.85,-1\n-0000dc10: 3036 372e 3537 2031 3534 392e 3536 2c2d  067.57 1549.56,-\n-0000dc20: 3130 3538 2e38 3822 2f3e 0a3c 706f 6c79  1058.88\"/>.<poly\n-0000dc30: 676f 6e20 6669 6c6c 3d22 2362 6662 6662  gon fill=\"#bfbfb\n-0000dc40: 6622 2073 7472 6f6b 653d 2223 6266 6266  f\" stroke=\"#bfbf\n-0000dc50: 6266 2220 706f 696e 7473 3d22 3135 3533  bf\" points=\"1553\n-0000dc60: 2e30 322c 2d31 3035 392e 3434 2031 3535  .02,-1059.44 155\n-0000dc70: 312e 3532 2c2d 3130 3438 2e39 3520 3135  1.52,-1048.95 15\n-0000dc80: 3436 2e31 352c 2d31 3035 382e 3039 2031  46.15,-1058.09 1\n-0000dc90: 3535 332e 3032 2c2d 3130 3539 2e34 3422  553.02,-1059.44\"\n-0000dca0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-0000dcb0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000dcc0: 6d6f 6475 6c61 7273 696d 756c 6174 6f72  modularsimulator\n-0000dcd0: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465   -->.<g id=\"node\n-0000dce0: 3138 2220 636c 6173 733d 226e 6f64 6522  18\" class=\"node\"\n-0000dcf0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-0000dd00: 7372 635f 6772 6f6d 6163 735f 6d6f 6475  src_gromacs_modu\n-0000dd10: 6c61 7273 696d 756c 6174 6f72 3c2f 7469  larsimulator</ti\n-0000dd20: 746c 653e 0a3c 6720 6964 3d22 615f 6e6f  tle>.<g id=\"a_no\n-0000dd30: 6465 3138 223e 3c61 2078 6c69 6e6b 3a68  de18\"><a xlink:h\n-0000dd40: 7265 663d 2267 726f 7570 5f5f 6d6f 6475  ref=\"group__modu\n-0000dd50: 6c65 5f5f 6d6f 6475 6c61 7273 696d 756c  le__modularsimul\n-0000dd60: 6174 6f72 2e78 6874 6d6c 2220 7461 7267  ator.xhtml\" targ\n-0000dd70: 6574 3d22 5f74 6f70 2220 786c 696e 6b3a  et=\"_top\" xlink:\n-0000dd80: 7469 746c 653d 226d 6f64 756c 6172 7369  title=\"modularsi\n-0000dd90: 6d75 6c61 746f 7222 3e0a 3c65 6c6c 6970  mulator\">.<ellip\n-0000dda0: 7365 2066 696c 6c3d 2223 6535 6363 6666  se fill=\"#e5ccff\n-0000ddb0: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n-0000ddc0: 2063 783d 2231 3339 3722 2063 793d 222d   cx=\"1397\" cy=\"-\n-0000ddd0: 3135 352e 3138 2220 7278 3d22 3635 2e31  155.18\" rx=\"65.1\n-0000dde0: 3122 2072 793d 2231 332e 3337 222f 3e0a  1\" ry=\"13.37\"/>.\n-0000ddf0: 3c74 6578 7420 7465 7874 2d61 6e63 686f  <text text-ancho\n-0000de00: 723d 226d 6964 646c 6522 2078 3d22 3133  r=\"middle\" x=\"13\n-0000de10: 3937 2220 793d 222d 3135 322e 3638 2220  97\" y=\"-152.68\" \n-0000de20: 666f 6e74 2d66 616d 696c 793d 2246 7265  font-family=\"Fre\n-0000de30: 6553 616e 7322 2066 6f6e 742d 7369 7a65  eSans\" font-size\n-0000de40: 3d22 3130 2e30 3022 3e6d 6f64 756c 6172  =\"10.00\">modular\n-0000de50: 7369 6d75 6c61 746f 723c 2f74 6578 743e  simulator</text>\n-0000de60: 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a  .</a>.</g>.</g>.\n-0000de70: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-0000de80: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273  gromacs_modulars\n-0000de90: 696d 756c 6174 6f72 2623 3435 3b26 6774  imulator&#45;&gt\n-0000dea0: 3b6d 6f64 756c 655f 7372 635f 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macs_modularsimu\n-0000e310: 6c61 746f 7226 2334 353b 2667 743b 6d6f  lator&#45;&gt;mo\n-0000e320: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0000e330: 5f72 616e 646f 6d3c 2f74 6974 6c65 3e0a  _random</title>.\n-0000e340: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-0000e350: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n-0000e360: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-0000e370: 793d 2235 2c32 2220 643d 224d 3133 3334  y=\"5,2\" d=\"M1334\n-0000e380: 2e32 362c 2d31 3531 2e34 3943 3131 3038  .26,-151.49C1108\n-0000e390: 2e38 382c 2d31 3431 2e38 3320 3335 302e  .88,-141.83 350.\n-0000e3a0: 3832 2c2d 3130 392e 3233 2032 3939 2c2d  82,-109.23 299,-\n-0000e3b0: 3130 352e 3734 2032 3637 2e35 352c 2d31  105.74 267.55,-1\n-0000e3c0: 3033 2e36 3220 3233 322e 3132 2c2d 3130  03.62 232.12,-10\n-0000e3d0: 302e 3338 2032 3035 2e31 362c 2d39 372e  0.38 205.16,-97.\n-0000e3e0: 3734 222f 3e0a 3c70 6f6c 7967 6f6e 2066  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c_gromacs_fileio\n-0000f4a0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-0000f4b0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-0000f4c0: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n-0000f4d0: 3133 3635 2e32 332c 2d31 3636 2e39 3643  1365.23,-166.96C\n-0000f4e0: 3133 3036 2e37 352c 2d31 3835 2e32 3420  1306.75,-185.24 \n-0000f4f0: 3131 3739 2e32 372c 2d32 3234 2e35 3320  1179.27,-224.53 \n-0000f500: 3130 3735 2c2d 3236 372e 3438 2039 3737  1075,-267.48 977\n-0000f510: 2e30 312c 2d33 3037 2e38 3420 3836 352e  .01,-307.84 865.\n-0000f520: 3332 2c2d 3336 362e 3835 2038 3133 2e36  32,-366.85 813.6\n-0000f530: 342c 2d33 3932 2e37 3122 2f3e 0a3c 706f  4,-392.71\"/>.<po\n-0000f540: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n-0000f550: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n-0000f560: 6266 6266 2220 706f 696e 7473 3d22 3831  bfbf\" points=\"81\n-0000f570: 312e 3832 2c2d 3338 392e 3731 2038 3034  1.82,-389.71 804\n-0000f580: 2e34 312c 2d33 3937 2e32 3820 3831 342e  .41,-397.28 814.\n-0000f590: 3933 2c2d 3339 352e 3938 2038 3131 2e38  93,-395.98 811.8\n-0000f5a0: 322c 2d33 3839 2e37 3122 2f3e 0a3c 2f67  2,-389.71\"/>.</g\n-0000f5b0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-0000f5c0: 635f 6772 6f6d 6163 735f 6d6f 6475 6c61  c_gromacs_modula\n-0000f5d0: 7273 696d 756c 6174 6f72 2623 3435 3b26  rsimulator&#45;&\n-0000f5e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-0000f5f0: 6f6d 6163 735f 6770 755f 7574 696c 7320  omacs_gpu_utils \n-0000f600: 2d2d 3e0a 3c67 2069 643d 2265 6467 6538  -->.<g id=\"edge8\n-0000f610: 3422 2063 6c61 7373 3d22 6564 6765 223e  4\" class=\"edge\">\n-0000f620: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-0000f630: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c  rc_gromacs_modul\n-0000f640: 6172 7369 6d75 6c61 746f 7226 2334 353b  arsimulator&#45;\n-0000f650: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0000f660: 726f 6d61 6373 5f67 7075 5f75 7469 6c73  romacs_gpu_utils\n-0000f670: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-0000f680: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-0000f690: 653d 2262 6c61 636b 2220 7374 726f 6b65  e=\"black\" stroke\n-0000f6a0: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n-0000f6b0: 2064 3d22 4d31 3430 342e 3937 2c2d 3136   d=\"M1404.97,-16\n-0000f6c0: 382e 3833 4331 3432 302e 3339 2c2d 3139  8.83C1420.39,-19\n-0000f6d0: 332e 3235 2031 3435 352e 3438 2c2d 3234  3.25 1455.48,-24\n-0000f6e0: 382e 3531 2031 3438 362c 2d32 3934 2e33  8.51 1486,-294.3\n-0000f6f0: 3520 3135 3135 2e35 352c 2d33 3338 2e37  5 1515.55,-338.7\n-0000f700: 3420 3135 3237 2e30 332c 2d33 3437 2e32  4 1527.03,-347.2\n-0000f710: 3120 3135 3534 2c2d 3339 332e 3232 2031  1 1554,-393.22 1\n-0000f720: 3631 332e 3436 2c2d 3439 342e 3634 2031  613.46,-494.64 1\n-0000f730: 3632 302e 3532 2c2d 3532 382e 3136 2031  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font-size=\n-0000f900: 2231 302e 3030 223e 7075 6c6c 696e 673c  \"10.00\">pulling<\n-0000f910: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d  /text>.</g>.<!--\n-0000f920: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-0000f930: 6163 735f 6d6f 6475 6c61 7273 696d 756c  acs_modularsimul\n-0000f940: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64  ator&#45;&gt;mod\n-0000f950: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0000f960: 7075 6c6c 696e 6720 2d2d 3e0a 3c67 2069  pulling -->.<g i\n-0000f970: 643d 2265 6467 6538 3822 2063 6c61 7373  d=\"edge88\" class\n-0000f980: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-0000f990: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0000f9a0: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61  cs_modularsimula\n-0000f9b0: 746f 7226 2334 353b 2667 743b 6d6f 6475  tor&#45;&gt;modu\n-0000f9c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70  le_src_gromacs_p\n-0000f9d0: 756c 6c69 6e67 3c2f 7469 746c 653e 0a3c  ulling</title>.<\n-0000f9e0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n-0000f9f0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-0000fa00: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n-0000fa10: 6179 3d22 352c 3222 2064 3d22 4d31 3334  ay=\"5,2\" d=\"M134\n-0000fa20: 352e 3631 2c2d 3134 362e 3833 4331 3235  5.61,-146.83C125\n-0000fa30: 392e 3338 2c2d 3133 342e 3531 2031 3038  9.38,-134.51 108\n-0000fa40: 372e 3432 2c2d 3130 392e 3934 2031 3031  7.42,-109.94 101\n-0000fa50: 302e 3137 2c2d 3938 2e39 222f 3e0a 3c70  0.17,-98.9\"/>.<p\n-0000fa60: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n-0000fa70: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n-0000fa80: 3832 6663 6322 2070 6f69 6e74 733d 2231  82fcc\" points=\"1\n-0000fa90: 3031 302e 3331 2c2d 3935 2e33 3920 3939  010.31,-95.39 99\n-0000faa0: 392e 3931 2c2d 3937 2e34 3420 3130 3039  9.91,-97.44 1009\n-0000fab0: 2e33 322c 2d31 3032 2e33 3220 3130 3130  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le_src_gromacs_l\n-0000fd60: 6973 7465 645f 666f 7263 6573 202d 2d3e  isted_forces -->\n-0000fd70: 0a3c 6720 6964 3d22 6564 6765 3835 2220  .<g id=\"edge85\" \n-0000fd80: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-0000fd90: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-0000fda0: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273  gromacs_modulars\n-0000fdb0: 696d 756c 6174 6f72 2623 3435 3b26 6774  imulator&#45;&gt\n-0000fdc0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-0000fdd0: 6163 735f 6c69 7374 6564 5f66 6f72 6365  acs_listed_force\n-0000fde0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820  s</title>.<path \n-0000fdf0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-0000fe00: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n-0000fe10: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-0000fe20: 2c32 2220 643d 224d 3133 3938 2e33 352c  ,2\" d=\"M1398.35,\n-0000fe30: 2d31 3638 2e37 3243 3133 3939 2e39 392c  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5,-697.76\"/>.<po\n-0000ff20: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n-0000ff30: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n-0000ff40: 3266 6363 2220 706f 696e 7473 3d22 3134  2fcc\" points=\"14\n-0000ff50: 3437 2e32 322c 2d36 3936 2e36 3520 3134  47.22,-696.65 14\n-0000ff60: 3436 2e35 392c 2d37 3037 2e32 3320 3134  46.59,-707.23 14\n-0000ff70: 3533 2e36 382c 2d36 3939 2e33 3620 3134  53.68,-699.36 14\n-0000ff80: 3437 2e32 322c 2d36 3936 2e36 3522 2f3e  47.22,-696.65\"/>\n-0000ff90: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n-0000ffa0: 655f 7372 635f 6772 6f6d 6163 735f 6d6f  e_src_gromacs_mo\n-0000ffb0: 6475 6c61 7273 696d 756c 6174 6f72 2623  dularsimulator&#\n-0000ffc0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-0000ffd0: 635f 6772 6f6d 6163 735f 6577 616c 6420  c_gromacs_ewald \n-0000ffe0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6538  -->.<g id=\"edge8\n-0000fff0: 3122 2063 6c61 7373 3d22 6564 6765 223e  1\" 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t;module_src_gro\n-00010ee0: 6d61 6373 5f72 616e 646f 6d20 2d2d 3e0a  macs_random -->.\n-00010ef0: 3c67 2069 643d 2265 6467 6531 3038 2220  <g id=\"edge108\" \n-00010f00: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-00010f10: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00010f20: 6772 6f6d 6163 735f 6d64 6c69 6226 2334  gromacs_mdlib&#4\n-00010f30: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00010f40: 5f67 726f 6d61 6373 5f72 616e 646f 6d3c  _gromacs_random<\n-00010f50: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00010f60: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-00010f70: 3d22 626c 6163 6b22 2073 7472 6f6b 652d  =\"black\" stroke-\n-00010f80: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n-00010f90: 643d 224d 3131 3831 2e33 372c 2d39 3731  d=\"M1181.37,-971\n-00010fa0: 2e33 3243 3130 3333 2e32 332c 2d39 3730  .32C1033.23,-970\n-00010fb0: 2e32 3920 3335 372e 3431 2c2d 3936 332e  .29 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6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-000117b0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-000117c0: 635f 6772 6f6d 6163 735f 6d64 6c69 6226  c_gromacs_mdlib&\n-000117d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-000117e0: 7263 5f67 726f 6d61 6373 5f65 7373 656e  rc_gromacs_essen\n-000117f0: 7469 616c 6479 6e61 6d69 6373 3c2f 7469  tialdynamics</ti\n-00011800: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-00011810: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-00011820: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n-00011830: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-00011840: 3d22 4d31 3231 322e 352c 2d39 3539 4331  =\"M1212.5,-959C1\n-00011850: 3233 302e 3536 2c2d 3930 342e 3231 2031  230.56,-904.21 1\n-00011860: 3332 352e 3634 2c2d 3637 392e 3035 2031  325.64,-679.05 1\n-00011870: 3335 362c 2d34 3832 2e39 3620 3133 3537  356,-482.96 1357\n-00011880: 2e38 332c 2d34 3731 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c_gromacs_fileio\n-00011c10: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-00011c20: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00011c30: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n-00011c40: 3131 3832 2e33 382c 2d39 3639 2e31 4331  1182.38,-969.1C1\n-00011c50: 3135 312e 3139 2c2d 3936 342e 3935 2031  151.19,-964.95 1\n-00011c60: 3130 302e 3932 2c2d 3935 332e 3636 2031  100.92,-953.66 1\n-00011c70: 3037 312c 2d39 3233 2e30 3520 3130 3431  071,-923.05 1041\n-00011c80: 2e37 2c2d 3839 332e 3038 2031 3036 302e  .7,-893.08 1060.\n-00011c90: 3336 2c2d 3837 302e 3939 2031 3034 322c  36,-870.99 1042,\n-00011ca0: 2d38 3333 2e33 3120 3130 3132 2e34 352c  -833.31 1012.45,\n-00011cb0: 2d37 3732 2e36 3720 3130 3132 2e39 312c  -772.67 1012.91,\n-00011cc0: 2d37 3435 2e33 3120 3935 372c 2d37 3037  -745.31 957,-707\n-00011cd0: 2e35 3720 3839 332e 3731 2c2d 3636 342e  .57 893.71,-664.\n-00011ce0: 3835 2038 3631 2e39 322c 2d36 3934 2e32  85 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class=\"edge\">.<t\n-00011eb0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00011ec0: 6772 6f6d 6163 735f 6d64 6c69 6226 2334  gromacs_mdlib&#4\n-00011ed0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00011ee0: 5f67 726f 6d61 6373 5f74 7261 6a65 6374  _gromacs_traject\n-00011ef0: 6f72 793c 2f74 6974 6c65 3e0a 3c70 6174  ory</title>.<pat\n-00011f00: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00011f10: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n-00011f20: 3d22 4d31 3138 312e 3632 2c2d 3937 312e  =\"M1181.62,-971.\n-00011f30: 3139 4331 3033 372e 3733 2c2d 3936 392e  19C1037.73,-969.\n-00011f40: 3535 2033 3932 2e35 382c 2d39 3630 2e31  55 392.58,-960.1\n-00011f50: 3320 3331 322c 2d39 3233 2e30 3520 3237  3 312,-923.05 27\n-00011f60: 362e 3931 2c2d 3930 362e 3920 3237 352e  6.91,-906.9 275.\n-00011f70: 3831 2c2d 3839 302e 3539 2032 3532 2c2d  81,-890.59 252,-\n-00011f80: 3836 302e 3138 2031 3933 2e32 2c2d 3738  860.18 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6163 735f 7461 736b 6173 7369  gromacs_taskassi\n-00013ac0: 676e 6d65 6e74 2623 3435 3b26 6774 3b6d  gnment&#45;&gt;m\n-00013ad0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00013ae0: 735f 6573 7365 6e74 6961 6c64 796e 616d  s_essentialdynam\n-00013af0: 6963 733c 2f74 6974 6c65 3e0a 3c70 6174  ics</title>.<pat\n-00013b00: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00013b10: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n-00013b20: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n-00013b30: 2235 2c32 2220 643d 224d 3230 3330 2e33  \"5,2\" d=\"M2030.3\n-00013b40: 312c 2d38 342e 3833 4332 3031 332e 3039  1,-84.83C2013.09\n-00013b50: 2c2d 3832 2e37 3620 3139 3933 2e37 332c  ,-82.76 1993.73,\n-00013b60: 2d38 302e 3536 2031 3937 362c 2d37 382e  -80.56 1976,-78.\n-00013b70: 3837 2031 3736 322e 3439 2c2d 3538 2e34  87 1762.49,-58.4\n-00013b80: 3620 3135 3039 2e36 372c 2d34 322e 3232  6 1509.67,-42.22\n-00013b90: 2031 3338 362e 3331 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romacs_taskassig\n-000141c0: 6e6d 656e 7426 2334 353b 2667 743b 6d6f  nment&#45;&gt;mo\n-000141d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-000141e0: 5f64 6f6d 6465 6320 2d2d 3e0a 3c67 2069  _domdec -->.<g i\n-000141f0: 643d 2265 6467 6531 3231 2220 636c 6173  d=\"edge121\" clas\n-00014200: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-00014210: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-00014220: 6163 735f 7461 736b 6173 7369 676e 6d65  acs_taskassignme\n-00014230: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c  nt&#45;&gt;modul\n-00014240: 655f 7372 635f 6772 6f6d 6163 735f 646f  e_src_gromacs_do\n-00014250: 6d64 6563 3c2f 7469 746c 653e 0a3c 7061  mdec</title>.<pa\n-00014260: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n-00014270: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n-00014280: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n-00014290: 3d22 352c 3222 2064 3d22 4d32 3133 312e  =\"5,2\" 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src_gromacs_gpu_\n-00014c50: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70  utils</title>.<p\n-00014c60: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00014c70: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-00014c80: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n-00014c90: 793d 2235 2c32 2220 643d 224d 3231 3034  y=\"5,2\" d=\"M2104\n-00014ca0: 2e31 392c 2d35 3435 2e33 3543 3230 3932  .19,-545.35C2092\n-00014cb0: 2e31 392c 2d35 3631 2e31 2032 3036 392e  .19,-561.1 2069.\n-00014cc0: 3532 2c2d 3538 392e 3039 2032 3034 362c  52,-589.09 2046,\n-00014cd0: 2d36 3038 2e37 2031 3932 302e 3236 2c2d  -608.7 1920.26,-\n-00014ce0: 3731 332e 3537 2031 3734 322e 3036 2c2d  713.57 1742.06,-\n-00014cf0: 3739 382e 3732 2031 3636 392e 3039 2c2d  798.72 1669.09,-\n-00014d00: 3833 312e 3338 222f 3e0a 3c70 6f6c 7967  831.38\"/>.<polyg\n-00014d10: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n-00014d20: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" 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gmxana&#45;&gt;m\n-00014e10: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00014e20: 735f 676d 786c 6962 3c2f 7469 746c 653e  s_gmxlib</title>\n-00014e30: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-00014e40: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n-00014e50: 6266 2220 643d 224d 3832 312e 3539 2c2d  bf\" d=\"M821.59,-\n-00014e60: 3130 3835 2e35 3743 3833 322e 3637 2c2d  1085.57C832.67,-\n-00014e70: 3130 3735 2e39 3420 3834 382e 3633 2c2d  1075.94 848.63,-\n-00014e80: 3130 3631 2e37 3820 3836 322c 2d31 3034  1061.78 862,-104\n-00014e90: 382e 3739 2039 3732 2e35 392c 2d39 3431  8.79 972.59,-941\n-00014ea0: 2e33 3420 3130 3038 2e32 342c 2d39 3230  .34 1008.24,-920\n-00014eb0: 2e34 3820 3131 3031 2c2d 3739 372e 3331  .48 1101,-797.31\n-00014ec0: 2031 3136 342e 3239 2c2d 3731 332e 3238   1164.29,-713.28\n-00014ed0: 2031 3232 322e 3339 2c2d 3630 312e 3338   1222.39,-601.38\n-00014ee0: 2031 3234 352e 3437 2c2d 3535 342e 3937   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class=\"edge\">.\n-00014fd0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00014fe0: 635f 6772 6f6d 6163 735f 676d 7861 6e61  c_gromacs_gmxana\n-00014ff0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00015000: 7372 635f 6772 6f6d 6163 735f 7261 6e64  src_gromacs_rand\n-00015010: 6f6d 3c2f 7469 746c 653e 0a3c 7061 7468  om</title>.<path\n-00015020: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-00015030: 6f6b 653d 2262 6c61 636b 2220 7374 726f  oke=\"black\" stro\n-00015040: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-00015050: 3222 2064 3d22 4d37 3732 2e35 362c 2d31  2\" d=\"M772.56,-1\n-00015060: 3039 362e 3534 4336 3439 2e31 2c2d 3130  096.54C649.1,-10\n-00015070: 3933 2e38 3620 3234 322e 3838 2c2d 3130  93.86 242.88,-10\n-00015080: 3832 2e35 3320 3139 362c 2d31 3034 382e  82.53 196,-1048.\n-00015090: 3739 2036 372e 3839 2c2d 3935 362e 3620  79 67.89,-956.6 \n-000150a0: 3537 2c2d 3837 392e 3834 2035 372c 2d37  57,-879.84 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itle>module_src_\n-000155f0: 6772 6f6d 6163 735f 676d 7861 6e61 2623  gromacs_gmxana&#\n-00015600: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00015610: 635f 6772 6f6d 6163 735f 6d64 6c69 623c  c_gromacs_mdlib<\n-00015620: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00015630: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-00015640: 3d22 2362 6662 6662 6622 2064 3d22 4d38  =\"#bfbfbf\" d=\"M8\n-00015650: 3335 2e38 342c 2d31 3038 392e 3931 4338  35.84,-1089.91C8\n-00015660: 3730 2e33 2c2d 3130 3830 2e37 3620 3933  70.3,-1080.76 93\n-00015670: 302e 372c 2d31 3036 342e 3339 2039 3832  0.7,-1064.39 982\n-00015680: 2c2d 3130 3438 2e37 3920 3130 3532 2e36  ,-1048.79 1052.6\n-00015690: 372c 2d31 3032 372e 3320 3131 3334 2e37  7,-1027.3 1134.7\n-000156a0: 352c 2d39 3939 2e34 3820 3131 3738 2e35  5,-999.48 1178.5\n-000156b0: 382c 2d39 3834 2e33 3922 2f3e 0a3c 706f  8,-984.39\"/>.<po\n-000156c0: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon 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e_src_gromacs_gm\n-000157b0: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64  xana&#45;&gt;mod\n-000157c0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-000157d0: 6666 743c 2f74 6974 6c65 3e0a 3c70 6174  fft</title>.<pat\n-000157e0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-000157f0: 726f 6b65 3d22 626c 6163 6b22 2073 7472  roke=\"black\" str\n-00015800: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-00015810: 2c32 2220 643d 224d 3834 332e 3533 2c2d  ,2\" d=\"M843.53,-\n-00015820: 3130 3937 2e38 3843 3938 362e 3139 2c2d  1097.88C986.19,-\n-00015830: 3130 3939 2e36 3720 3135 3330 2e32 332c  1099.67 1530.23,\n-00015840: 2d31 3039 382e 3331 2031 3935 382c 2d39  -1098.31 1958,-9\n-00015850: 3835 2e39 3220 3230 3339 2e31 352c 2d39  85.92 2039.15,-9\n-00015860: 3634 2e36 2032 3038 372e 3535 2c2d 3939  64.6 2087.55,-99\n-00015870: 312e 3535 2032 3133 362c 2d39 3233 2e30  1.55 2136,-923.0\n-00015880: 3520 3231 3432 2e39 2c2d 3931 332e 3320  5 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c_gromacs_gmxana\n-00015a50: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00015a60: 7372 635f 6772 6f6d 6163 735f 6669 6c65  src_gromacs_file\n-00015a70: 696f 3c2f 7469 746c 653e 0a3c 7061 7468  io</title>.<path\n-00015a80: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-00015a90: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n-00015aa0: 224d 3737 332e 3836 2c2d 3130 3934 2e35  \"M773.86,-1094.5\n-00015ab0: 3543 3731 312e 3939 2c2d 3130 3837 2e38  5C711.99,-1087.8\n-00015ac0: 3220 3538 312e 3335 2c2d 3130 3634 2e35  2 581.35,-1064.5\n-00015ad0: 3720 3531 322c 2d39 3835 2e39 3220 3433  7 512,-985.92 43\n-00015ae0: 322e 3136 2c2d 3839 352e 3337 2033 3132  2.16,-895.37 312\n-00015af0: 2e30 332c 2d35 3436 2e35 3220 3339 322c  .03,-546.52 392,\n-00015b00: 2d34 3536 2e30 3920 3431 352e 3431 2c2d  -456.09 415.41,-\n-00015b10: 3432 392e 3632 2036 3534 2e36 352c 2d34  429.62 654.65,-4\n-00015b20: 3134 2e34 3320 3734 372e 3939 2c2d 3430  14.43 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635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n-000165c0: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64  xana&#45;&gt;mod\n-000165d0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-000165e0: 636f 7272 656c 6174 696f 6e66 756e 6374  correlationfunct\n-000165f0: 696f 6e73 202d 2d3e 0a3c 6720 6964 3d22  ions -->.<g id=\"\n-00016600: 6564 6765 3133 3122 2063 6c61 7373 3d22  edge131\" class=\"\n-00016610: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-00016620: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00016630: 5f67 6d78 616e 6126 2334 353b 2667 743b  _gmxana&#45;&gt;\n-00016640: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00016650: 6373 5f63 6f72 7265 6c61 7469 6f6e 6675  cs_correlationfu\n-00016660: 6e63 7469 6f6e 733c 2f74 6974 6c65 3e0a  nctions</title>.\n-00016670: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-00016680: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-00016690: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n-000166a0: 7261 793d 2235 2c32 2220 643d 224d 3739  ray=\"5,2\" d=\"M79\n-000166b0: 392e 3436 2c2d 3130 3834 2e38 3743 3738  9.46,-1084.87C78\n-000166c0: 352e 3433 2c2d 3130 3633 2e33 2037 3539  5.43,-1063.3 759\n-000166d0: 2c2d 3130 3136 2e39 3220 3735 392c 2d39  ,-1016.92 759,-9\n-000166e0: 3733 2e34 3920 3735 392c 2d39 3733 2e34  73.49 759,-973.4\n-000166f0: 3920 3735 392c 2d39 3733 2e34 3920 3735  9 759,-973.49 75\n-00016700: 392c 2d37 3230 2e30 3120 3735 392c 2d36  9,-720.01 759,-6\n-00016710: 3833 2e39 3820 3736 322e 3634 2c2d 3636  83.98 762.64,-66\n-00016720: 392e 3236 2037 3839 2c2d 3634 342e 3720  9.26 789,-644.7 \n-00016730: 3831 312e 3537 2c2d 3632 332e 3637 2038  811.57,-623.67 8\n-00016740: 3433 2e32 372c 2d36 3131 2e37 3720 3837  43.27,-611.77 87\n-00016750: 312e 3838 2c2d 3630 352e 3034 222f 3e0a  1.88,-605.04\"/>.\n-00016760: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n-00016770: 3238 3266 6363 2220 7374 726f 6b65 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src_gromacs_appl\n-00016a20: 6965 645f 666f 7263 6573 5f61 7768 202d  ied_forces_awh -\n-00016a30: 2d3e 0a3c 6720 6964 3d22 6564 6765 3133  ->.<g id=\"edge13\n-00016a40: 3722 2063 6c61 7373 3d22 6564 6765 223e  7\" class=\"edge\">\n-00016a50: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n-00016a60: 7263 5f67 726f 6d61 6373 5f67 6d78 616e  rc_gromacs_gmxan\n-00016a70: 6126 2334 353b 2667 743b 6d6f 6475 6c65  a&#45;&gt;module\n-00016a80: 5f73 7263 5f67 726f 6d61 6373 5f61 7070  _src_gromacs_app\n-00016a90: 6c69 6564 5f66 6f72 6365 735f 6177 683c  lied_forces_awh<\n-00016aa0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00016ab0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-00016ac0: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-00016ad0: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n-00016ae0: 2220 643d 224d 3737 322e 362c 2d31 3039  \" d=\"M772.6,-109\n-00016af0: 362e 3734 4336 3535 2e39 312c 2d31 3039  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287.82,-\n-00016be0: 3335 362e 3639 2032 3739 2e31 342c 2d33  356.69 279.14,-3\n-00016bf0: 3632 2e37 3620 3238 342e 3832 2c2d 3336  62.76 284.82,-36\n-00016c00: 362e 3835 222f 3e0a 3c2f 673e 0a3c 212d  6.85\"/>.</g>.<!-\n-00016c10: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00016c20: 6d61 6373 5f73 656c 6563 7469 6f6e 202d  macs_selection -\n-00016c30: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3236  ->.<g id=\"node26\n-00016c40: 2220 636c 6173 733d 226e 6f64 6522 3e0a  \" class=\"node\">.\n-00016c50: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-00016c60: 635f 6772 6f6d 6163 735f 7365 6c65 6374  c_gromacs_select\n-00016c70: 696f 6e3c 2f74 6974 6c65 3e0a 3c67 2069  ion</title>.<g i\n-00016c80: 643d 2261 5f6e 6f64 6532 3622 3e3c 6120  d=\"a_node26\"><a \n-00016c90: 786c 696e 6b3a 6872 6566 3d22 6772 6f75  xlink:href=\"grou\n-00016ca0: 705f 5f6d 6f64 756c 655f 5f73 656c 6563  p__module__selec\n-00016cb0: 7469 6f6e 2e78 6874 6d6c 2220 7461 7267  tion.xhtml\" 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1776.46,-885\n-00018b80: 2e39 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .91\"/>.</g>.<!--\n-00018b90: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-00018ba0: 6163 735f 6d64 7275 6e26 2334 353b 2667  acs_mdrun&#45;&g\n-00018bb0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-00018bc0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n-00018bd0: 6365 7320 2d2d 3e0a 3c67 2069 643d 2265  ces -->.<g id=\"e\n-00018be0: 6467 6531 3733 2220 636c 6173 733d 2265  dge173\" class=\"e\n-00018bf0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n-00018c00: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00018c10: 6d64 7275 6e26 2334 353b 2667 743b 6d6f  mdrun&#45;&gt;mo\n-00018c20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00018c30: 5f61 7070 6c69 6564 5f66 6f72 6365 733c  _applied_forces<\n-00018c40: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00018c50: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" 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2031 3237 362e 3132 2c2d 3237  6.54 1276.12,-27\n-00019610: 392e 3138 2031 3237 352e 3533 2c2d 3237  9.18 1275.53,-27\n-00019620: 322e 3231 222f 3e0a 3c2f 673e 0a3c 212d  2.21\"/>.</g>.<!-\n-00019630: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00019640: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n-00019650: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00019660: 6f6d 6163 735f 6d64 7479 7065 7320 2d2d  omacs_mdtypes --\n-00019670: 3e0a 3c67 2069 643d 2265 6467 6531 3532  >.<g id=\"edge152\n-00019680: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n-00019690: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n-000196a0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26  c_gromacs_mdrun&\n-000196b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-000196c0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n-000196d0: 6573 3c2f 7469 746c 653e 0a3c 7061 7468  es</title>.<path\n-000196e0: 2066 696c 6c3d 226e 6f6e 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1690.06,-1032\n-000198b0: 2e36 3820 3136 3032 2e35 352c 2d31 3033  .68 1602.55,-103\n-000198c0: 342e 3131 222f 3e0a 3c70 6f6c 7967 6f6e  4.11\"/>.<polygon\n-000198d0: 2066 696c 6c3d 2272 6564 2220 7374 726f   fill=\"red\" stro\n-000198e0: 6b65 3d22 7265 6422 2070 6f69 6e74 733d  ke=\"red\" points=\n-000198f0: 2231 3630 322e 3239 2c2d 3130 3330 2e36  \"1602.29,-1030.6\n-00019900: 3120 3135 3932 2e33 352c 2d31 3033 342e  1 1592.35,-1034.\n-00019910: 3236 2031 3630 322e 3339 2c2d 3130 3337  26 1602.39,-1037\n-00019920: 2e36 3120 3136 3032 2e32 392c 2d31 3033  .61 1602.29,-103\n-00019930: 302e 3631 222f 3e0a 3c2f 673e 0a3c 212d  0.61\"/>.</g>.<!-\n-00019940: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n-00019950: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n-00019960: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00019970: 6f6d 6163 735f 636f 6d70 6174 202d 2d3e  omacs_compat -->\n-00019980: 0a3c 6720 6964 3d22 6564 6765 3136 3022  .<g id=\"edge160\"\n-00019990: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-000199a0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-000199b0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n-000199c0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-000199d0: 635f 6772 6f6d 6163 735f 636f 6d70 6174  c_gromacs_compat\n-000199e0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-000199f0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-00019a00: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n-00019a10: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-00019a20: 3222 2064 3d22 4d31 3731 372e 3539 2c2d  2\" d=\"M1717.59,-\n-00019a30: 3230 342e 3237 4331 3731 322e 3031 2c2d  204.27C1712.01,-\n-00019a40: 3138 332e 3332 2031 3730 302e 3833 2c2d  183.32 1700.83,-\n-00019a50: 3134 312e 3431 2031 3639 332e 3932 2c2d  141.41 1693.92,-\n-00019a60: 3131 352e 3532 222f 3e0a 3c70 6f6c 7967  115.52\"/>.<polyg\n-00019a70: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n-00019a80: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-00019a90: 6322 2070 6f69 6e74 733d 2231 3639 372e  c\" points=\"1697.\n-00019aa0: 332c 2d31 3134 2e35 3920 3136 3931 2e33  3,-114.59 1691.3\n-00019ab0: 342c 2d31 3035 2e38 3320 3136 3930 2e35  4,-105.83 1690.5\n-00019ac0: 332c 2d31 3136 2e33 3920 3136 3937 2e33  3,-116.39 1697.3\n-00019ad0: 2c2d 3131 342e 3539 222f 3e0a 3c2f 673e  ,-114.59\"/>.</g>\n-00019ae0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n-00019af0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n-00019b00: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00019b10: 635f 6772 6f6d 6163 735f 6573 7365 6e74  c_gromacs_essent\n-00019b20: 6961 6c64 796e 616d 6963 7320 2d2d 3e0a  ialdynamics -->.\n-00019b30: 3c67 2069 643d 2265 6467 6531 3631 2220  <g id=\"edge161\" \n-00019b40: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-00019b50: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00019b60: 6772 6f6d 6163 735f 6d64 7275 6e26 2334  gromacs_mdrun&#4\n-00019b70: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-00019b80: 5f67 726f 6d61 6373 5f65 7373 656e 7469  _gromacs_essenti\n-00019b90: 616c 6479 6e61 6d69 6373 3c2f 7469 746c  aldynamics</titl\n-00019ba0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-00019bb0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n-00019bc0: 3266 6363 2220 7374 726f 6b65 2d64 6173  2fcc\" stroke-das\n-00019bd0: 6861 7272 6179 3d22 352c 3222 2064 3d22  harray=\"5,2\" d=\"\n-00019be0: 4d31 3735 322e 3236 2c2d 3231 362e 3938  M1752.26,-216.98\n-00019bf0: 4331 3832 322e 3535 2c2d 3231 352e 3732  C1822.55,-215.72\n-00019c00: 2031 3938 332e 3339 2c2d 3230 352e 3933   1983.39,-205.93\n-00019c10: 2031 3933 362c 2d31 3431 2e37 3420 3138   1936,-141.74 18\n-00019c20: 3732 2e32 312c 2d35 352e 3333 2031 3534  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title>module_src\n-00019ed0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n-00019ee0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00019ef0: 635f 6772 6f6d 6163 735f 636f 6d6d 616e  c_gromacs_comman\n-00019f00: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70  dline</title>.<p\n-00019f10: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-00019f20: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-00019f30: 2064 3d22 4d31 3639 322e 3037 2c2d 3232   d=\"M1692.07,-22\n-00019f40: 332e 3132 4331 3635 392e 3237 2c2d 3232  3.12C1659.27,-22\n-00019f50: 382e 3832 2031 3630 352e 3238 2c2d 3234  8.82 1605.28,-24\n-00019f60: 312e 3532 2031 3536 362c 2d32 3637 2e34  1.52 1566,-267.4\n-00019f70: 3820 3135 3238 2e38 332c 2d32 3932 2e30  8 1528.83,-292.0\n-00019f80: 3520 3134 3733 2e35 382c 2d33 3936 2e31  5 1473.58,-396.1\n-00019f90: 3720 3134 3336 2c2d 3432 302e 3039 2031  7 1436,-420.09 1\n-00019fa0: 3339 392e 3936 2c2d 3434 332e 3034 2031  399.96,-443.04 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6964 3d22 6564 6765 3135 3022 2063 6c61  id=\"edge150\" cla\n-0001a0a0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-0001a0b0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-0001a0c0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n-0001a0d0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-0001a0e0: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974  omacs_mdlib</tit\n-0001a0f0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-0001a100: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265  none\" stroke=\"re\n-0001a110: 6422 2064 3d22 4d31 3732 322e 3135 2c2d  d\" d=\"M1722.15,-\n-0001a120: 3233 312e 3743 3137 3234 2e37 372c 2d32  231.7C1724.77,-2\n-0001a130: 3631 2e38 3220 3137 3331 2c2d 3334 302e  61.82 1731,-340.\n-0001a140: 3132 2031 3733 312c 2d34 3035 2e36 3620  12 1731,-405.66 \n-0001a150: 3137 3331 2c2d 3635 392e 3134 2031 3733  1731,-659.14 173\n-0001a160: 312c 2d36 3539 2e31 3420 3137 3331 2c2d  1,-659.14 1731,-\n-0001a170: 3635 392e 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gt;module_src_gr\n-0001a6c0: 6f6d 6163 735f 7265 7374 7261 696e 743c  omacs_restraint<\n-0001a6d0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-0001a6e0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-0001a6f0: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-0001a700: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n-0001a710: 2220 643d 224d 3137 3530 2e34 382c 2d32  \" d=\"M1750.48,-2\n-0001a720: 3133 2e35 3543 3138 3336 2e35 382c 2d32  13.55C1836.58,-2\n-0001a730: 3033 2e33 3620 3230 3838 2e30 362c 2d31  03.36 2088.06,-1\n-0001a740: 3733 2e35 3820 3231 3930 2e36 352c 2d31  73.58 2190.65,-1\n-0001a750: 3631 2e34 3322 2f3e 0a3c 706f 6c79 676f  61.43\"/>.<polygo\n-0001a760: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n-0001a770: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-0001a780: 2220 706f 696e 7473 3d22 3231 3931 2e31  \" points=\"2191.1\n-0001a790: 362c 2d31 3634 2e38 3920 3232 3030 2e36  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options</title>.\n-0001a880: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n-0001a890: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-0001a8a0: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n-0001a8b0: 7261 793d 2235 2c32 2220 643d 224d 3137  ray=\"5,2\" d=\"M17\n-0001a8c0: 3532 2e31 322c 2d32 3136 2e30 3243 3138  52.12,-216.02C18\n-0001a8d0: 3534 2e35 382c 2d32 3132 2e33 3920 3231  54.58,-212.39 21\n-0001a8e0: 3830 2e36 332c 2d31 3938 2e37 3120 3232  80.63,-198.71 22\n-0001a8f0: 3831 2c2d 3136 382e 3631 2032 3332 342e  81,-168.61 2324.\n-0001a900: 3436 2c2d 3135 352e 3538 2032 3336 392e  46,-155.58 2369.\n-0001a910: 3735 2c2d 3132 372e 3937 2032 3339 362e  75,-127.97 2396.\n-0001a920: 3339 2c2d 3131 302e 3035 222f 3e0a 3c70  39,-110.05\"/>.<p\n-0001a930: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n-0001a940: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n-0001a950: 3832 6663 6322 2070 6f69 6e74 733d 2232  82fcc\" 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odule_src_gromac\n-0001aa40: 735f 6669 6c65 696f 3c2f 7469 746c 653e  s_fileio</title>\n-0001aa50: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n-0001aa60: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n-0001aa70: 6266 2220 643d 224d 3136 3934 2e34 352c  bf\" d=\"M1694.45,\n-0001aa80: 2d32 3235 2e32 3343 3136 3036 2e37 362c  -225.23C1606.76,\n-0001aa90: 2d32 3435 2e35 3520 3133 3138 2e33 332c  -245.55 1318.33,\n-0001aaa0: 2d33 3131 2e35 3620 3130 3738 2c2d 3335  -311.56 1078,-35\n-0001aab0: 372e 3232 2039 3835 2e34 352c 2d33 3734  7.22 985.45,-374\n-0001aac0: 2e38 2038 3735 2e37 342c 2d33 3931 2e39  .8 875.74,-391.9\n-0001aad0: 3620 3832 302e 3533 2c2d 3430 302e 3334  6 820.53,-400.34\n-0001aae0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n-0001aaf0: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n-0001ab00: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n-0001ab10: 6e74 733d 2238 3139 2e39 312c 2d33 3936  nts=\"819.91,-396\n-0001ab20: 2e39 2038 3130 2e35 352c 2d34 3031 2e38  .9 810.55,-401.8\n-0001ab30: 3520 3832 302e 3936 2c2d 3430 332e 3832  5 820.96,-403.82\n-0001ab40: 2038 3139 2e39 312c 2d33 3936 2e39 222f   819.91,-396.9\"/\n-0001ab50: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n-0001ab60: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n-0001ab70: 6472 756e 2623 3435 3b26 6774 3b6d 6f64  drun&#45;&gt;mod\n-0001ab80: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0001ab90: 6770 755f 7574 696c 7320 2d2d 3e0a 3c67  gpu_utils -->.<g\n-0001aba0: 2069 643d 2265 6467 6531 3536 2220 636c   id=\"edge156\" cl\n-0001abb0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-0001abc0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n-0001abd0: 6f6d 6163 735f 6d64 7275 6e26 2334 353b  omacs_mdrun&#45;\n-0001abe0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-0001abf0: 726f 6d61 6373 5f67 7075 5f75 7469 6c73  romacs_gpu_utils\n-0001ac00: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-0001ac10: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-0001ac20: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n-0001ac30: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n-0001ac40: 3222 2064 3d22 4d31 3732 362e 3832 2c2d  2\" d=\"M1726.82,-\n-0001ac50: 3233 312e 3532 4331 3733 312e 3038 2c2d  231.52C1731.08,-\n-0001ac60: 3234 312e 3135 2031 3733 362e 3638 2c2d  241.15 1736.68,-\n-0001ac70: 3235 342e 3920 3137 3430 2c2d 3236 372e  254.9 1740,-267.\n-0001ac80: 3438 2031 3734 372e 322c 2d32 3934 2e37  48 1747.2,-294.7\n-0001ac90: 3720 3137 3435 2e38 332c 2d33 3032 2e33  7 1745.83,-302.3\n-0001aca0: 2031 3734 392c 2d33 3330 2e33 3520 3137   1749,-330.35 17\n-0001acb0: 3632 2e32 332c 2d34 3437 2e33 3120 3137  62.23,-447.31 17\n-0001acc0: 3731 2c2d 3437 362e 3536 2031 3737 312c  71,-476.56 1771,\n-0001acd0: 2d35 3934 2e32 3720 3137 3731 2c2d 3635  -594.27 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le_src_gromacs_m\n-0001adc0: 6472 756e 2623 3435 3b26 6774 3b6d 6f64  drun&#45;&gt;mod\n-0001add0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-0001ade0: 7075 6c6c 696e 6720 2d2d 3e0a 3c67 2069  pulling -->.<g i\n-0001adf0: 643d 2265 6467 6531 3639 2220 636c 6173  d=\"edge169\" clas\n-0001ae00: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-0001ae10: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-0001ae20: 6163 735f 6d64 7275 6e26 2334 353b 2667  acs_mdrun&#45;&g\n-0001ae30: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n-0001ae40: 6d61 6373 5f70 756c 6c69 6e67 3c2f 7469  macs_pulling</ti\n-0001ae50: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-0001ae60: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-0001ae70: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n-0001ae80: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-0001ae90: 3d22 4d31 3730 332e 3435 2c2d 3230 362e  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module\n-0001af80: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472  _src_gromacs_mdr\n-0001af90: 756e 2623 3435 3b26 6774 3b6d 6f64 756c  un&#45;&gt;modul\n-0001afa0: 655f 7372 635f 6772 6f6d 6163 735f 696d  e_src_gromacs_im\n-0001afb0: 6420 2d2d 3e0a 3c67 2069 643d 2265 6467  d -->.<g id=\"edg\n-0001afc0: 6531 3637 2220 636c 6173 733d 2265 6467  e167\" class=\"edg\n-0001afd0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n-0001afe0: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n-0001aff0: 7275 6e26 2334 353b 2667 743b 6d6f 6475  run&#45;&gt;modu\n-0001b000: 6c65 5f73 7263 5f67 726f 6d61 6373 5f69  le_src_gromacs_i\n-0001b010: 6d64 3c2f 7469 746c 653e 0a3c 7061 7468  md</title>.<path\n-0001b020: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-0001b030: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n-0001b040: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n-0001b050: 352c 3222 2064 3d22 4d31 3639 302e 3632  5,2\" d=\"M1690.62\n-0001b060: 2c2d 3231 342e 3937 4331 3535 362e 3133  ,-214.97C1556.13\n-0001b070: 2c2d 3230 352e 3737 2031 3031 342e 3531  ,-205.77 1014.51\n-0001b080: 2c2d 3136 382e 3733 2038 3637 2e38 2c2d  ,-168.73 867.8,-\n-0001b090: 3135 382e 3639 222f 3e0a 3c70 6f6c 7967  158.69\"/>.<polyg\n-0001b0a0: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n-0001b0b0: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n-0001b0c0: 6322 2070 6f69 6e74 733d 2238 3637 2e37  c\" points=\"867.7\n-0001b0d0: 362c 2d31 3535 2e31 3820 3835 372e 3534  6,-155.18 857.54\n-0001b0e0: 2c2d 3135 372e 3939 2038 3637 2e32 382c  ,-157.99 867.28,\n-0001b0f0: 2d31 3632 2e31 3620 3836 372e 3736 2c2d  -162.16 867.76,-\n-0001b100: 3135 352e 3138 222f 3e0a 3c2f 673e 0a3c  155.18\"/>.</g>.<\n-0001b110: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-0001b120: 726f 6d61 6373 5f6d 6472 756e 2623 3435  romacs_mdrun&#45\n-0001b130: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  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module_src_grom\n-0001b300: 6163 735f 6d69 6d69 6320 2d2d 3e0a 3c67  acs_mimic -->.<g\n-0001b310: 2069 643d 226e 6f64 6534 3522 2063 6c61   id=\"node45\" cla\n-0001b320: 7373 3d22 6e6f 6465 223e 0a3c 7469 746c  ss=\"node\">.<titl\n-0001b330: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-0001b340: 6d61 6373 5f6d 696d 6963 3c2f 7469 746c  macs_mimic</titl\n-0001b350: 653e 0a3c 656c 6c69 7073 6520 6669 6c6c  e>.<ellipse fill\n-0001b360: 3d22 2362 6662 6662 6622 2073 7472 6f6b  =\"#bfbfbf\" strok\n-0001b370: 653d 2262 6c61 636b 2220 6378 3d22 3135  e=\"black\" cx=\"15\n-0001b380: 3137 2220 6379 3d22 2d31 3535 2e31 3822  17\" cy=\"-155.18\"\n-0001b390: 2072 783d 2233 302e 3331 2220 7279 3d22   rx=\"30.31\" ry=\"\n-0001b3a0: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074  13.37\"/>.<text t\n-0001b3b0: 6578 742d 616e 6368 6f72 3d22 6d69 6464  ext-anchor=\"midd\n-0001b3c0: 6c65 2220 783d 2231 3531 3722 2079 3d22  le\" x=\"1517\" y=\"\n-0001b3d0: 2d31 3532 2e36 3822 2066 6f6e 742d 6661  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mimic</title>.<p\n-0001b4c0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-0001b4d0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-0001b4e0: 2064 3d22 4d31 3639 362e 3339 2c2d 3230   d=\"M1696.39,-20\n-0001b4f0: 392e 3743 3136 3630 2e31 352c 2d31 3938  9.7C1660.15,-198\n-0001b500: 2e38 3920 3135 3932 2e32 382c 2d31 3738  .89 1592.28,-178\n-0001b510: 2e36 3420 3135 3531 2e32 312c 2d31 3636  .64 1551.21,-166\n-0001b520: 2e33 3822 2f3e 0a3c 706f 6c79 676f 6e20  .38\"/>.<polygon \n-0001b530: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n-0001b540: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n-0001b550: 706f 696e 7473 3d22 3135 3531 2e39 362c  points=\"1551.96,\n-0001b560: 2d31 3632 2e39 3520 3135 3431 2e33 382c  -162.95 1541.38,\n-0001b570: 2d31 3633 2e34 3520 3135 3439 2e39 362c  -163.45 1549.96,\n-0001b580: 2d31 3639 2e36 3620 3135 3531 2e39 362c  -169.66 1551.96,\n-0001b590: 2d31 3632 2e39 3522 2f3e 0a3c 2f67 3e0a  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7070 6c69 6564 5f66 6f72 6365 735f 6177  pplied_forces_aw\n-0001ba10: 683c 2f74 6974 6c65 3e0a 3c70 6174 6820  h</title>.<path \n-0001ba20: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-0001ba30: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n-0001ba40: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-0001ba50: 2c32 2220 643d 224d 3136 3930 2e37 382c  ,2\" d=\"M1690.78,\n-0001ba60: 2d32 3231 2e36 3743 3135 3036 2e33 382c  -221.67C1506.38,\n-0001ba70: 2d32 3337 2e36 3920 3533 332e 3938 2c2d  -237.69 533.98,-\n-0001ba80: 3332 322e 3139 2033 3333 2e32 362c 2d33  322.19 333.26,-3\n-0001ba90: 3339 2e36 3322 2f3e 0a3c 706f 6c79 676f  39.63\"/>.<polygo\n-0001baa0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n-0001bab0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n-0001bac0: 2220 706f 696e 7473 3d22 3333 322e 392c  \" points=\"332.9,\n-0001bad0: 2d33 3336 2e31 3520 3332 332e 3234 2c2d  -336.15 323.24,-\n-0001bae0: 3334 302e 3531 2033 3333 2e35 312c 2d33  340.51 333.51,-3\n-0001baf0: 3433 2e31 3320 3333 322e 392c 2d33 3336  43.13 332.9,-336\n-0001bb00: 2e31 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .15\"/>.</g>.<!--\n-0001bb10: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-0001bb20: 6163 735f 7265 7374 7261 696e 7426 2334  acs_restraint&#4\n-0001bb30: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n-0001bb40: 5f67 726f 6d61 6373 5f67 6d78 6c69 6220  _gromacs_gmxlib \n-0001bb50: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n-0001bb60: 3737 2220 636c 6173 733d 2265 6467 6522  77\" class=\"edge\"\n-0001bb70: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-0001bb80: 7372 635f 6772 6f6d 6163 735f 7265 7374  src_gromacs_rest\n-0001bb90: 7261 696e 7426 2334 353b 2667 743b 6d6f  raint&#45;&gt;mo\n-0001bba0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001bbb0: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a  _gmxlib</title>.\n-0001bbc0: 3c70 6174 6820 6669 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202d 2d3e 0a3c 6720 6964  domdec -->.<g id\n-0001c040: 3d22 6564 6765 3137 3622 2063 6c61 7373  =\"edge176\" class\n-0001c050: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n-0001c060: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-0001c070: 6373 5f72 6573 7472 6169 6e74 2623 3435  cs_restraint&#45\n-0001c080: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-0001c090: 6772 6f6d 6163 735f 646f 6d64 6563 3c2f  gromacs_domdec</\n-0001c0a0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-0001c0b0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-0001c0c0: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-0001c0d0: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n-0001c0e0: 2064 3d22 4d32 3233 392e 3336 2c2d 3136   d=\"M2239.36,-16\n-0001c0f0: 382e 3634 4332 3235 322e 3639 2c2d 3230  8.64C2252.69,-20\n-0001c100: 392e 3220 3232 3838 2e37 362c 2d33 3339  9.2 2288.76,-339\n-0001c110: 2e34 3320 3232 3333 2c2d 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642.66,-\n+00007300: 3231 382e 3737 222f 3e0a 3c70 6f6c 7967  218.77\"/>.<polyg\n+00007310: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n+00007320: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+00007330: 6322 2070 6f69 6e74 733d 2236 3432 2e39  c\" points=\"642.9\n+00007340: 342c 2d32 3232 2e32 3720 3635 322e 3839  4,-222.27 652.89\n+00007350: 2c2d 3231 382e 3632 2036 3432 2e38 342c  ,-218.62 642.84,\n+00007360: 2d32 3135 2e32 3720 3634 322e 3934 2c2d  -215.27 642.94,-\n+00007370: 3232 322e 3237 222f 3e0a 3c2f 673e 0a3c  222.27\"/>.</g>.<\n+00007380: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00007390: 726f 6d61 6373 5f67 6d78 7072 6570 726f  romacs_gmxprepro\n+000073a0: 6365 7373 2623 3435 3b26 6774 3b6d 6f64  cess&#45;&gt;mod\n+000073b0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000073c0: 6d64 7275 6e20 2d2d 3e0a 3c67 2069 643d  mdrun -->.<g id=\n+000073d0: 2265 6467 6532 3222 2063 6c61 7373 3d22  \"edge22\" class=\"\n+000073e0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+000073f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00007400: 5f67 6d78 7072 6570 726f 6365 7373 2623  _gmxpreprocess&#\n+00007410: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00007420: 635f 6772 6f6d 6163 735f 6d64 7275 6e3c  c_gromacs_mdrun<\n+00007430: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00007440: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00007450: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+00007460: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n+00007470: 2220 643d 224d 3131 3335 2e34 342c 2d31  \" d=\"M1135.44,-1\n+00007480: 3135 392e 3632 4331 3335 392e 3936 2c2d  159.62C1359.96,-\n+00007490: 3131 3537 2e35 3520 3231 3535 2e35 342c  1157.55 2155.54,\n+000074a0: 2d31 3134 372e 3639 2032 3139 342e 3931  -1147.69 2194.91\n+000074b0: 2c2d 3131 3131 2e36 3620 3232 3139 2e38  ,-1111.66 2219.8\n+000074c0: 322c 2d31 3038 382e 3837 2032 3230 342e  2,-1088.87 2204.\n+000074d0: 3931 2c2d 3130 3730 2e31 3220 3232 3034  91,-1070.12 2204\n+000074e0: 2e39 312c 2d31 3033 362e 3336 2032 3230  .91,-1036.36 220\n+000074f0: 342e 3931 2c2d 3130 3336 2e33 3620 3232  4.91,-1036.36 22\n+00007500: 3034 2e39 312c 2d31 3033 362e 3336 2032  04.91,-1036.36 2\n+00007510: 3230 342e 3931 2c2d 3930 382e 3632 2032  204.91,-908.62 2\n+00007520: 3230 342e 3931 2c2d 3538 342e 3938 2031  204.91,-584.98 1\n+00007530: 3634 342e 3431 2c2d 3534 302e 3438 2031  644.41,-540.48 1\n+00007540: 3438 352e 3437 2c2d 3533 342e 3337 222f  485.47,-534.37\"/\n+00007550: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+00007560: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+00007570: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n+00007580: 733d 2231 3438 352e 3238 2c2d 3533 302e  s=\"1485.28,-530.\n+00007590: 3836 2031 3437 352e 3136 2c2d 3533 3420  86 1475.16,-534 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2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00007770: 6772 6f6d 6163 735f 6f70 7469 6f6e 7320  gromacs_options \n+00007780: 2d2d 3e0a 3c67 2069 643d 226e 6f64 6534  -->.<g id=\"node4\n+00007790: 3322 2063 6c61 7373 3d22 6e6f 6465 223e  3\" class=\"node\">\n+000077a0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+000077b0: 7263 5f67 726f 6d61 6373 5f6f 7074 696f  rc_gromacs_optio\n+000077c0: 6e73 3c2f 7469 746c 653e 0a3c 6720 6964  ns</title>.<g id\n+000077d0: 3d22 615f 6e6f 6465 3433 223e 3c61 2078  =\"a_node43\"><a x\n+000077e0: 6c69 6e6b 3a68 7265 663d 2267 726f 7570  link:href=\"group\n+000077f0: 5f5f 6d6f 6475 6c65 5f5f 6f70 7469 6f6e  __module__option\n+00007800: 732e 7868 746d 6c22 2074 6172 6765 743d  s.xhtml\" target=\n+00007810: 225f 746f 7022 2078 6c69 6e6b 3a74 6974  \"_top\" xlink:tit\n+00007820: 6c65 3d22 6f70 7469 6f6e 7322 3e0a 3c65  le=\"options\">.<e\n+00007830: 6c6c 6970 7365 2066 696c 6c3d 2223 6666  llipse fill=\"#ff\n+00007840: 6534 6363 2220 7374 726f 6b65 3d22 626c  e4cc\" stroke=\"bl\n+00007850: 6163 6b22 2063 783d 2231 3238 392e 3931  ack\" cx=\"1289.91\n+00007860: 2220 6379 3d22 2d32 392e 3434 2220 7278  \" cy=\"-29.44\" rx\n+00007870: 3d22 3333 2e38 3822 2072 793d 2231 332e  =\"33.88\" ry=\"13.\n+00007880: 3337 222f 3e0a 3c74 6578 7420 7465 7874  37\"/>.<text text\n+00007890: 2d61 6e63 686f 723d 226d 6964 646c 6522  -anchor=\"middle\"\n+000078a0: 2078 3d22 3132 3839 2e39 3122 2079 3d22   x=\"1289.91\" y=\"\n+000078b0: 2d32 362e 3934 2220 666f 6e74 2d66 616d  -26.94\" font-fam\n+000078c0: 696c 793d 2246 7265 6553 616e 7322 2066  ily=\"FreeSans\" f\n+000078d0: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022  ont-size=\"10.00\"\n+000078e0: 3e6f 7074 696f 6e73 3c2f 7465 7874 3e0a  >options</text>.\n+000078f0: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c  </a>.</g>.</g>.<\n+00007900: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+00007910: 726f 6d61 6373 5f67 6d78 7072 6570 726f  romacs_gmxprepro\n+00007920: 6365 7373 2623 3435 3b26 6774 3b6d 6f64  cess&#45;&gt;mod\n+00007930: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00007940: 6f70 7469 6f6e 7320 2d2d 3e0a 3c67 2069  options -->.<g i\n+00007950: 643d 2265 6467 6532 3422 2063 6c61 7373  d=\"edge24\" class\n+00007960: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00007970: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00007980: 6373 5f67 6d78 7072 6570 726f 6365 7373  cs_gmxpreprocess\n+00007990: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+000079a0: 7372 635f 6772 6f6d 6163 735f 6f70 7469  src_gromacs_opti\n+000079b0: 6f6e 733c 2f74 6974 6c65 3e0a 3c70 6174  ons</title>.<pat\n+000079c0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+000079d0: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n+000079e0: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n+000079f0: 2235 2c32 2220 643d 224d 3130 3138 2e35  \"5,2\" d=\"M1018.5\n+00007a00: 312c 2d31 3135 392e 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5.66 40.91,-288.\n+00007af0: 3238 202d 3433 2e30 362c 2d32 3332 2e38  28 -43.06,-232.8\n+00007b00: 3820 3330 2e39 312c 2d31 3431 2e37 3420  8 30.91,-141.74 \n+00007b10: 3130 392e 312c 2d34 352e 3420 3130 3331  109.1,-45.4 1031\n+00007b20: 2e39 312c 2d33 322e 3431 2031 3234 352e  .91,-32.41 1245.\n+00007b30: 3833 2c2d 3330 2e36 3922 2f3e 0a3c 706f  83,-30.69\"/>.<po\n+00007b40: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n+00007b50: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n+00007b60: 3266 6363 2220 706f 696e 7473 3d22 3132  2fcc\" points=\"12\n+00007b70: 3436 2e30 372c 2d33 342e 3139 2031 3235  46.07,-34.19 125\n+00007b80: 362e 3035 2c2d 3330 2e36 3120 3132 3436  6.05,-30.61 1246\n+00007b90: 2e30 322c 2d32 372e 3139 2031 3234 362e  .02,-27.19 1246.\n+00007ba0: 3037 2c2d 3334 2e31 3922 2f3e 0a3c 2f67  07,-34.19\"/>.</g\n+00007bb0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00007bc0: 635f 6772 6f6d 6163 735f 6170 706c 6965  c_gromacs_applie\n+00007bd0: 645f 666f 7263 6573 5f61 7768 202d 2d3e  d_forces_awh -->\n+00007be0: 0a3c 6720 6964 3d22 6e6f 6465 3439 2220  .<g id=\"node49\" \n+00007bf0: 636c 6173 733d 226e 6f64 6522 3e0a 3c74  class=\"node\">.<t\n+00007c00: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00007c10: 6772 6f6d 6163 735f 6170 706c 6965 645f  gromacs_applied_\n+00007c20: 666f 7263 6573 5f61 7768 3c2f 7469 746c  forces_awh</titl\n+00007c30: 653e 0a3c 6720 6964 3d22 615f 6e6f 6465  e>.<g id=\"a_node\n+00007c40: 3439 223e 3c61 2078 6c69 6e6b 3a68 7265  49\"><a xlink:hre\n+00007c50: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65  f=\"group__module\n+00007c60: 5f5f 6177 682e 7868 746d 6c22 2074 6172  __awh.xhtml\" tar\n+00007c70: 6765 743d 225f 746f 7022 2078 6c69 6e6b  get=\"_top\" xlink\n+00007c80: 3a74 6974 6c65 3d22 6177 6822 3e0a 3c65  :title=\"awh\">.<e\n+00007c90: 6c6c 6970 7365 2066 696c 6c3d 226e 6f6e  llipse fill=\"non\n+00007ca0: 6522 2073 7472 6f6b 653d 2262 6c61 636b  e\" 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6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+000097e0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+000097f0: 635f 6772 6f6d 6163 735f 7365 6c65 6374  c_gromacs_select\n+00009800: 696f 6e26 2334 353b 2667 743b 6d6f 6475  ion&#45;&gt;modu\n+00009810: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6f  le_src_gromacs_o\n+00009820: 7074 696f 6e73 3c2f 7469 746c 653e 0a3c  ptions</title>.<\n+00009830: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00009840: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+00009850: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+00009860: 6179 3d22 352c 3222 2064 3d22 4d31 3432  ay=\"5,2\" d=\"M142\n+00009870: 302e 3335 2c2d 3831 2e36 3643 3133 3933  0.35,-81.66C1393\n+00009880: 2e38 312c 2d37 312e 3234 2031 3335 312e  .81,-71.24 1351.\n+00009890: 3431 2c2d 3534 2e35 3920 3133 3232 2e32  41,-54.59 1322.2\n+000098a0: 2c2d 3433 2e31 3222 2f3e 0a3c 706f 6c79  ,-43.12\"/>.<poly\n+000098b0: 676f 6e20 6669 6c6c 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5f67 6d78  _src_gromacs_gmx\n+000099a0: 616e 6126 2334 353b 2667 743b 6d6f 6475  ana&#45;&gt;modu\n+000099b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+000099c0: 6474 7970 6573 3c2f 7469 746c 653e 0a3c  dtypes</title>.<\n+000099d0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+000099e0: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+000099f0: 2220 643d 224d 3638 342e 3835 2c2d 3130  \" d=\"M684.85,-10\n+00009a00: 3934 2e32 3543 3739 382e 3738 2c2d 3130  94.25C798.78,-10\n+00009a10: 3834 2e32 3620 3131 3637 2e37 332c 2d31  84.26 1167.73,-1\n+00009a20: 3035 312e 3920 3132 3938 2e34 362c 2d31  051.9 1298.46,-1\n+00009a30: 3034 302e 3433 222f 3e0a 3c70 6f6c 7967  040.43\"/>.<polyg\n+00009a40: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n+00009a50: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+00009a60: 6622 2070 6f69 6e74 733d 2231 3239 382e  f\" points=\"1298.\n+00009a70: 3839 2c2d 3130 3433 2e39 3120 3133 3038 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6e61 2623 3435 3b26 6774 3b6d 6f64 756c  na&#45;&gt;modul\n+0000a350: 655f 7372 635f 6772 6f6d 6163 735f 7261  e_src_gromacs_ra\n+0000a360: 6e64 6f6d 3c2f 7469 746c 653e 0a3c 7061  ndom</title>.<pa\n+0000a370: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+0000a380: 7472 6f6b 653d 2262 6c61 636b 2220 7374  troke=\"black\" st\n+0000a390: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+0000a3a0: 352c 3222 2064 3d22 4d36 3633 2e38 382c  5,2\" d=\"M663.88,\n+0000a3b0: 2d31 3038 352e 3237 4336 3933 2e31 322c  -1085.27C693.12,\n+0000a3c0: 2d31 3035 382e 3031 2037 3635 2e36 362c  -1058.01 765.66,\n+0000a3d0: 2d39 3838 2e35 3520 3831 372e 3931 2c2d  -988.55 817.91,-\n+0000a3e0: 3932 332e 3035 2038 3338 2e38 372c 2d38  923.05 838.87,-8\n+0000a3f0: 3936 2e37 3820 3834 312e 342c 2d38 3838  96.78 841.4,-888\n+0000a400: 2e32 3320 3835 392e 3931 2c2d 3836 302e  .23 859.91,-860.\n+0000a410: 3138 2038 3738 2e32 382c 2d38 3332 2e33  18 878.28,-832.3\n+0000a420: 3420 3838 332e 3437 2c2d 3832 352e 3735  4 883.47,-825.75\n+0000a430: 2039 3030 2e39 312c 2d37 3937 2e33 3120   900.91,-797.31 \n+0000a440: 3932 392e 3739 2c2d 3735 302e 3231 2039  929.79,-750.21 9\n+0000a450: 3831 2e36 382c 2d36 3136 2e32 3420 3130  81.68,-616.24 10\n+0000a460: 3234 2e39 312c 2d35 3831 2e38 3320 3130  24.91,-581.83 10\n+0000a470: 3638 2e32 392c 2d35 3437 2e32 3920 3134  68.29,-547.29 14\n+0000a480: 3338 2e32 2c2d 3434 382e 3738 2031 3535  38.2,-448.78 155\n+0000a490: 382e 3337 2c2d 3431 372e 3339 222f 3e0a  8.37,-417.39\"/>.\n+0000a4a0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262  <polygon fill=\"b\n+0000a4b0: 6c61 636b 2220 7374 726f 6b65 3d22 626c  lack\" stroke=\"bl\n+0000a4c0: 6163 6b22 2070 6f69 6e74 733d 2231 3535  ack\" points=\"155\n+0000a4d0: 392e 3433 2c2d 3432 302e 3733 2031 3536  9.43,-420.73 156\n+0000a4e0: 382e 3232 2c2d 3431 342e 3832 2031 3535  8.22,-414.82 155\n+0000a4f0: 372e 3636 2c2d 3431 332e 3935 2031 3535  7.66,-413.95 155\n+0000a500: 392e 3433 2c2d 3432 302e 3733 222f 3e0a  9.43,-420.73\"/>.\n+0000a510: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+0000a520: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n+0000a530: 616e 6126 2334 353b 2667 743b 6d6f 6475  ana&#45;&gt;modu\n+0000a540: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63  le_src_gromacs_c\n+0000a550: 6f6d 6d61 6e64 6c69 6e65 202d 2d3e 0a3c  ommandline -->.<\n+0000a560: 6720 6964 3d22 6564 6765 3430 2220 636c  g id=\"edge40\" cl\n+0000a570: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+0000a580: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+0000a590: 6f6d 6163 735f 676d 7861 6e61 2623 3435  omacs_gmxana&#45\n+0000a5a0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0000a5b0: 6772 6f6d 6163 735f 636f 6d6d 616e 646c  gromacs_commandl\n+0000a5c0: 696e 653c 2f74 6974 6c65 3e0a 3c70 6174  ine</title>.<pat\n+0000a5d0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+0000a5e0: 726f 6b65 3d22 626c 6163 6b22 2073 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points=\"12\n+0000a7b0: 3237 2e37 2c2d 3936 2e38 3620 3132 3337  27.7,-96.86 1237\n+0000a7c0: 2e36 392c 2d39 332e 3334 2031 3232 372e  .69,-93.34 1227.\n+0000a7d0: 3638 2c2d 3839 2e38 3620 3132 3237 2e37  68,-89.86 1227.7\n+0000a7e0: 2c2d 3936 2e38 3622 2f3e 0a3c 2f67 3e0a  ,-96.86\"/>.</g>.\n+0000a7f0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+0000a800: 6772 6f6d 6163 735f 676d 7861 6e61 2623  gromacs_gmxana&#\n+0000a810: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0000a820: 635f 6772 6f6d 6163 735f 6666 7420 2d2d  c_gromacs_fft --\n+0000a830: 3e0a 3c67 2069 643d 2265 6467 6534 3722  >.<g id=\"edge47\"\n+0000a840: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+0000a850: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+0000a860: 5f67 726f 6d61 6373 5f67 6d78 616e 6126  _gromacs_gmxana&\n+0000a870: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0000a880: 7263 5f67 726f 6d61 6373 5f66 6674 3c2f  rc_gromacs_fft</\n+0000a890: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+0000a8a0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+0000a8b0: 2262 6c61 636b 2220 7374 726f 6b65 2d64  \"black\" stroke-d\n+0000a8c0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+0000a8d0: 3d22 4d36 3135 2e34 382c 2d31 3039 382e  =\"M615.48,-1098.\n+0000a8e0: 3037 4335 3338 2e32 312c 2d31 3039 372e  07C538.21,-1097.\n+0000a8f0: 3932 2033 3533 2e33 2c2d 3130 3836 2e33  92 353.3,-1086.3\n+0000a900: 3920 3235 302e 3931 2c2d 3938 352e 3932  9 250.91,-985.92\n+0000a910: 2032 3336 2e37 372c 2d39 3732 2e30 3520   236.77,-972.05 \n+0000a920: 3233 302e 3934 2c2d 3934 392e 3837 2032  230.94,-949.87 2\n+0000a930: 3238 2e35 352c 2d39 3333 2e31 3722 2f3e  28.55,-933.17\"/>\n+0000a940: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+0000a950: 626c 6163 6b22 2073 7472 6f6b 653d 2262  black\" stroke=\"b\n+0000a960: 6c61 636b 2220 706f 696e 7473 3d22 3233  lack\" points=\"23\n+0000a970: 322e 3032 2c2d 3933 322e 3637 2032 3237  2.02,-932.67 227\n+0000a980: 2e34 322c 2d39 3233 2e31 3320 3232 352e  .42,-923.13 225.\n+0000a990: 3036 2c2d 3933 332e 3435 2032 3332 2e30  06,-933.45 232.0\n+0000a9a0: 322c 2d39 3332 2e36 3722 2f3e 0a3c 2f67  2,-932.67\"/>.</g\n+0000a9b0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+0000a9c0: 635f 6772 6f6d 6163 735f 676d 7861 6e61  c_gromacs_gmxana\n+0000a9d0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0000a9e0: 7372 635f 6772 6f6d 6163 735f 6669 6c65  src_gromacs_file\n+0000a9f0: 696f 202d 2d3e 0a3c 6720 6964 3d22 6564  io -->.<g id=\"ed\n+0000aa00: 6765 3431 2220 636c 6173 733d 2265 6467  ge41\" class=\"edg\n+0000aa10: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+0000aa20: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+0000aa30: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64  xana&#45;&gt;mod\n+0000aa40: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000aa50: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c  fileio</title>.<\n+0000aa60: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+0000aa70: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+0000aa80: 2220 643d 224d 3638 362e 3431 2c2d 3130  \" d=\"M686.41,-10\n+0000aa90: 3937 2e35 3143 3736 382e 3031 2c2d 3130  97.51C768.01,-10\n+0000aaa0: 3937 2e34 2039 3635 2e34 352c 2d31 3039  97.4 965.45,-109\n+0000aab0: 322e 3531 2031 3031 312e 3931 2c2d 3130  2.51 1011.91,-10\n+0000aac0: 3438 2e37 3920 3130 3632 2e32 352c 2d31  48.79 1062.25,-1\n+0000aad0: 3030 312e 3432 2031 3031 382e 3534 2c2d  001.42 1018.54,-\n+0000aae0: 3936 312e 3233 2031 3034 312e 3931 2c2d  961.23 1041.91,-\n+0000aaf0: 3839 362e 3138 2031 3035 322e 3635 2c2d  896.18 1052.65,-\n+0000ab00: 3836 362e 3239 2031 3035 332e 3438 2c2d  866.29 1053.48,-\n+0000ab10: 3835 352e 3820 3130 3735 2e39 312c 2d38  855.8 1075.91,-8\n+0000ab20: 3333 2e33 3120 3130 3932 2e34 312c 2d38  33.31 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src_gromacs_traj\n+0000ac10: 6563 746f 7279 202d 2d3e 0a3c 6720 6964  ectory -->.<g id\n+0000ac20: 3d22 6564 6765 3433 2220 636c 6173 733d  =\"edge43\" class=\n+0000ac30: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+0000ac40: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000ac50: 735f 676d 7861 6e61 2623 3435 3b26 6774  s_gmxana&#45;&gt\n+0000ac60: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0000ac70: 6163 735f 7472 616a 6563 746f 7279 3c2f  acs_trajectory</\n+0000ac80: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+0000ac90: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+0000aca0: 2223 6266 6266 6266 2220 643d 224d 3633  \"#bfbfbf\" d=\"M63\n+0000acb0: 322e 3333 2c2d 3130 3836 2e37 3643 3631  2.33,-1086.76C61\n+0000acc0: 392e 3436 2c2d 3130 3738 2e33 3620 3630  9.46,-1078.36 60\n+0000acd0: 332e 3335 2c2d 3130 3635 2e32 3620 3539  3.35,-1065.26 59\n+0000ace0: 352e 3931 2c2d 3130 3438 2e37 3920 3537  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module_src_gr\n+0000add0: 6f6d 6163 735f 676d 7861 6e61 2623 3435  omacs_gmxana&#45\n+0000ade0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0000adf0: 6772 6f6d 6163 735f 6c69 7374 6564 5f66  gromacs_listed_f\n+0000ae00: 6f72 6365 7320 2d2d 3e0a 3c67 2069 643d  orces -->.<g id=\n+0000ae10: 2265 6467 6534 3522 2063 6c61 7373 3d22  \"edge45\" class=\"\n+0000ae20: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+0000ae30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000ae40: 5f67 6d78 616e 6126 2334 353b 2667 743b  _gmxana&#45;&gt;\n+0000ae50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000ae60: 6373 5f6c 6973 7465 645f 666f 7263 6573  cs_listed_forces\n+0000ae70: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+0000ae80: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+0000ae90: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n+0000aea0: 6b65 2d64 6173 6861 7272 6179 3d22 352c  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291.3\n+0000af90: 372c 2d39 3037 2e39 3820 3237 372e 3931  7,-907.98 277.91\n+0000afa0: 2c2d 3839 362e 3138 2032 3539 2e34 322c  ,-896.18 259.42,\n+0000afb0: 2d38 3739 2e39 3820 3234 372e 3336 2c2d  -879.98 247.36,-\n+0000afc0: 3838 312e 3934 2032 3335 2e39 312c 2d38  881.94 235.91,-8\n+0000afd0: 3630 2e31 3820 3136 372e 3838 2c2d 3733  60.18 167.88,-73\n+0000afe0: 302e 3932 2032 3030 2e39 312c 2d36 3739  0.92 200.91,-679\n+0000aff0: 2e34 3620 3230 302e 3931 2c2d 3533 332e  .46 200.91,-533.\n+0000b000: 3420 3230 302e 3931 2c2d 3533 332e 3420  4 200.91,-533.4 \n+0000b010: 3230 302e 3931 2c2d 3533 332e 3420 3230  200.91,-533.4 20\n+0000b020: 302e 3931 2c2d 3430 352e 3636 2032 3030  0.91,-405.66 200\n+0000b030: 2e39 312c 2d33 3638 2e37 3520 3230 372e  .91,-368.75 207.\n+0000b040: 3332 2c2d 3335 332e 3639 2032 3335 2e39  32,-353.69 235.9\n+0000b050: 312c 2d33 3330 2e33 3520 3239 392e 3239  1,-330.35 299.29\n+0000b060: 2c2d 3237 382e 3631 2035 3339 2e37 392c  ,-278.61 539.79,\n+0000b070: 2d32 3430 2e38 3720 3634 392e 3137 2c2d  -240.87 649.17,-\n+0000b080: 3232 362e 3031 222f 3e0a 3c70 6f6c 7967  226.01\"/>.<polyg\n+0000b090: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n+0000b0a0: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+0000b0b0: 6322 2070 6f69 6e74 733d 2236 3439 2e38  c\" points=\"649.8\n+0000b0c0: 392c 2d32 3239 2e34 3420 3635 392e 3333  9,-229.44 659.33\n+0000b0d0: 2c2d 3232 342e 3634 2036 3438 2e39 352c  ,-224.64 648.95,\n+0000b0e0: 2d32 3232 2e35 3120 3634 392e 3839 2c2d  -222.51 649.89,-\n+0000b0f0: 3232 392e 3434 222f 3e0a 3c2f 673e 0a3c  229.44\"/>.</g>.<\n+0000b100: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+0000b110: 726f 6d61 6373 5f67 6d78 616e 6126 2334  romacs_gmxana&#4\n+0000b120: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0000b130: 5f67 726f 6d61 6373 5f6d 646c 6962 202d  _gromacs_mdlib -\n+0000b140: 2d3e 0a3c 6720 6964 3d22 6564 6765 3432  ->.<g id=\"edge42\n+0000b150: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+0000b160: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+0000b170: 635f 6772 6f6d 6163 735f 676d 7861 6e61  c_gromacs_gmxana\n+0000b180: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0000b190: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n+0000b1a0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n+0000b1b0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+0000b1c0: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n+0000b1d0: 4d36 3539 2e34 342c 2d31 3038 342e 3938  M659.44,-1084.98\n+0000b1e0: 4336 3831 2e33 2c2d 3130 3533 2e36 2037  C681.3,-1053.6 7\n+0000b1f0: 3339 2e35 2c2d 3937 302e 3035 2037 3636  39.5,-970.05 766\n+0000b200: 2e36 332c 2d39 3331 2e31 3222 2f3e 0a3c  .63,-931.12\"/>.<\n+0000b210: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n+0000b220: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n+0000b230: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n+0000b240: 3736 392e 3637 2c2d 3933 322e 3837 2037  769.67,-932.87 7\n+0000b250: 3732 2e35 322c 2d39 3232 2e36 3620 3736  72.52,-922.66 76\n+0000b260: 332e 3933 2c2d 3932 382e 3837 2037 3639  3.93,-928.87 769\n+0000b270: 2e36 372c 2d39 3332 2e38 3722 2f3e 0a3c  .67,-932.87\"/>.<\n+0000b280: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+0000b290: 7372 635f 6772 6f6d 6163 735f 636f 7272  src_gromacs_corr\n+0000b2a0: 656c 6174 696f 6e66 756e 6374 696f 6e73  elationfunctions\n+0000b2b0: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465   -->.<g id=\"node\n+0000b2c0: 3437 2220 636c 6173 733d 226e 6f64 6522  47\" class=\"node\"\n+0000b2d0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+0000b2e0: 7372 635f 6772 6f6d 6163 735f 636f 7272  src_gromacs_corr\n+0000b2f0: 656c 6174 696f 6e66 756e 6374 696f 6e73  elationfunctions\n+0000b300: 3c2f 7469 746c 653e 0a3c 6720 6964 3d22  </title>.<g id=\"\n+0000b310: 615f 6e6f 6465 3437 223e 3c61 2078 6c69  a_node47\"><a xli\n+0000b320: 6e6b 3a68 7265 663d 2267 726f 7570 5f5f  nk:href=\"group__\n+0000b330: 6d6f 6475 6c65 5f5f 636f 7272 656c 6174  module__correlat\n+0000b340: 696f 6e66 756e 6374 696f 6e73 2e78 6874  ionfunctions.xht\n+0000b350: 6d6c 2220 7461 7267 6574 3d22 5f74 6f70  ml\" target=\"_top\n+0000b360: 2220 786c 696e 6b3a 7469 746c 653d 2263  \" xlink:title=\"c\n+0000b370: 6f72 7265 6c61 7469 6f6e 6675 6e63 7469  orrelationfuncti\n+0000b380: 6f6e 7322 3e0a 3c65 6c6c 6970 7365 2066  ons\">.<ellipse f\n+0000b390: 696c 6c3d 2223 6666 6363 6363 2220 7374  ill=\"#ffcccc\" st\n+0000b3a0: 726f 6b65 3d22 626c 6163 6b22 2063 783d  roke=\"black\" cx=\n+0000b3b0: 2233 3330 2e39 3122 2063 793d 222d 3937  \"330.91\" cy=\"-97\n+0000b3c0: 322e 3439 2220 7278 3d22 3731 2e33 3422  2.49\" rx=\"71.34\"\n+0000b3d0: 2072 793d 2231 332e 3337 222f 3e0a 3c74   ry=\"13.37\"/>.<t\n+0000b3e0: 6578 7420 7465 7874 2d61 6e63 686f 723d  ext text-anchor=\n+0000b3f0: 226d 6964 646c 6522 2078 3d22 3333 302e  \"middle\" x=\"330.\n+0000b400: 3931 2220 793d 222d 3936 392e 3939 2220  91\" y=\"-969.99\" \n+0000b410: 666f 6e74 2d66 616d 696c 793d 2246 7265  font-family=\"Fre\n+0000b420: 6553 616e 7322 2066 6f6e 742d 7369 7a65  eSans\" font-size\n+0000b430: 3d22 3130 2e30 3022 3e63 6f72 7265 6c61  =\"10.00\">correla\n+0000b440: 7469 6f6e 6675 6e63 7469 6f6e 733c 2f74  tionfunctions</t\n+0000b450: 6578 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c  ext>.</a>.</g>.<\n+0000b460: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+0000b470: 7372 635f 6772 6f6d 6163 735f 676d 7861  src_gromacs_gmxa\n+0000b480: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c  na&#45;&gt;modul\n+0000b490: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n+0000b4a0: 7272 656c 6174 696f 6e66 756e 6374 696f  rrelationfunctio\n+0000b4b0: 6e73 202d 2d3e 0a3c 6720 6964 3d22 6564  ns -->.<g id=\"ed\n+0000b4c0: 6765 3434 2220 636c 6173 733d 2265 6467  ge44\" class=\"edg\n+0000b4d0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+0000b4e0: 655f 7372 635f 6772 6f6d 6163 735f 676d  e_src_gromacs_gm\n+0000b4f0: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64  xana&#45;&gt;mod\n+0000b500: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000b510: 636f 7272 656c 6174 696f 6e66 756e 6374  correlationfunct\n+0000b520: 696f 6e73 3c2f 7469 746c 653e 0a3c 7061  ions</title>.<pa\n+0000b530: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+0000b540: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+0000b550: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n+0000b560: 3d22 352c 3222 2064 3d22 4d36 3238 2c2d  =\"5,2\" d=\"M628,-\n+0000b570: 3130 3837 2e38 3843 3539 322e 3532 2c2d  1087.88C592.52,-\n+0000b580: 3130 3733 2e34 3620 3532 322e 3038 2c2d  1073.46 522.08,-\n+0000b590: 3130 3435 2e30 3320 3436 312e 3931 2c2d  1045.03 461.91,-\n+0000b5a0: 3130 3231 2e39 3220 3433 312e 362c 2d31  1021.92 431.6,-1\n+0000b5b0: 3031 302e 3238 2033 3937 2e31 362c 2d39  010.28 397.16,-9\n+0000b5c0: 3937 2e35 3720 3337 312e 322c 2d39 3838  97.57 371.2,-988\n+0000b5d0: 2e30 3922 2f3e 0a3c 706f 6c79 676f 6e20  .09\"/>.<polygon \n+0000b5e0: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n+0000b5f0: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+0000b600: 706f 696e 7473 3d22 3337 322e 3239 2c2d  points=\"372.29,-\n+0000b610: 3938 342e 3736 2033 3631 2e36 392c 2d39  984.76 361.69,-9\n+0000b620: 3834 2e36 3220 3336 392e 3839 2c2d 3939  84.62 369.89,-99\n+0000b630: 312e 3334 2033 3732 2e32 392c 2d39 3834  1.34 372.29,-984\n+0000b640: 2e37 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .76\"/>.</g>.<!--\n+0000b650: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+0000b660: 6163 735f 676d 7861 6e61 2623 3435 3b26  acs_gmxana&#45;&\n+0000b670: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0000b680: 6f6d 6163 735f 6170 706c 6965 645f 666f  omacs_applied_fo\n+0000b690: 7263 6573 5f61 7768 202d 2d3e 0a3c 6720  rces_awh -->.<g \n+0000b6a0: 6964 3d22 6564 6765 3532 2220 636c 6173  id=\"edge52\" clas\n+0000b6b0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+0000b6c0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+0000b6d0: 6163 735f 676d 7861 6e61 2623 3435 3b26  acs_gmxana&#45;&\n+0000b6e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0000b6f0: 6f6d 6163 735f 6170 706c 6965 645f 666f  omacs_applied_fo\n+0000b700: 7263 6573 5f61 7768 3c2f 7469 746c 653e  rces_awh</title>\n+0000b710: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+0000b720: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n+0000b730: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n+0000b740: 7272 6179 3d22 352c 3222 2064 3d22 4d36  rray=\"5,2\" d=\"M6\n+0000b750: 3835 2e36 312c 2d31 3039 352e 3239 4337  85.61,-1095.29C7\n+0000b760: 3731 2e34 322c 2d31 3039 302e 3137 2039  71.42,-1090.17 9\n+0000b770: 3931 2e35 382c 2d31 3037 342e 3831 2031  91.58,-1074.81 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2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0000b870: 726f 6d61 6373 5f6d 6474 7970 6573 202d  romacs_mdtypes -\n+0000b880: 2d3e 0a3c 6720 6964 3d22 6564 6765 3534  ->.<g id=\"edge54\n+0000b890: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+0000b8a0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+0000b8b0: 635f 6772 6f6d 6163 735f 676d 786c 6962  c_gromacs_gmxlib\n+0000b8c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0000b8d0: 7372 635f 6772 6f6d 6163 735f 6d64 7479  src_gromacs_mdty\n+0000b8e0: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174  pes</title>.<pat\n+0000b8f0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+0000b900: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n+0000b910: 3d22 4d31 3632 372e 3639 2c2d 3135 372e  =\"M1627.69,-157.\n+0000b920: 3036 4331 3733 382e 392c 2d31 3631 2032  06C1738.9,-161 2\n+0000b930: 3130 332e 3931 2c2d 3138 312e 3433 2032  103.91,-181.43 2\n+0000b940: 3130 332e 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dule_src_gromacs\n+0000c750: 5f63 6f6f 7264 696e 6174 6569 6f26 2334  _coordinateio&#4\n+0000c760: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0000c770: 5f67 726f 6d61 6373 5f6f 7074 696f 6e73  _gromacs_options\n+0000c780: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+0000c790: 3538 2220 636c 6173 733d 2265 6467 6522  58\" class=\"edge\"\n+0000c7a0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+0000c7b0: 7372 635f 6772 6f6d 6163 735f 636f 6f72  src_gromacs_coor\n+0000c7c0: 6469 6e61 7465 696f 2623 3435 3b26 6774  dinateio&#45;&gt\n+0000c7d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0000c7e0: 6163 735f 6f70 7469 6f6e 733c 2f74 6974  acs_options</tit\n+0000c7f0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+0000c800: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n+0000c810: 6363 6332 3822 2073 7472 6f6b 652d 6461  ccc28\" stroke-da\n+0000c820: 7368 6172 7261 793d 2235 2c32 2220 643d  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cs_trajectoryana\n+0000c9f0: 6c79 7369 7320 2d2d 3e0a 3c67 2069 643d  lysis -->.<g id=\n+0000ca00: 226e 6f64 6531 3222 2063 6c61 7373 3d22  \"node12\" class=\"\n+0000ca10: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f  node\">.<title>mo\n+0000ca20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000ca30: 5f74 7261 6a65 6374 6f72 7961 6e61 6c79  _trajectoryanaly\n+0000ca40: 7369 733c 2f74 6974 6c65 3e0a 3c67 2069  sis</title>.<g i\n+0000ca50: 643d 2261 5f6e 6f64 6531 3222 3e3c 6120  d=\"a_node12\"><a \n+0000ca60: 786c 696e 6b3a 6872 6566 3d22 6772 6f75  xlink:href=\"grou\n+0000ca70: 705f 5f6d 6f64 756c 655f 5f74 7261 6a65  p__module__traje\n+0000ca80: 6374 6f72 7961 6e61 6c79 7369 732e 7868  ctoryanalysis.xh\n+0000ca90: 746d 6c22 2074 6172 6765 743d 225f 746f  tml\" target=\"_to\n+0000caa0: 7022 2078 6c69 6e6b 3a74 6974 6c65 3d22  p\" xlink:title=\"\n+0000cab0: 7472 616a 6563 746f 7279 616e 616c 7973  trajectoryanalys\n+0000cac0: 6973 223e 0a3c 656c 6c69 7073 6520 6669  is\">.<ellipse fi\n+0000cad0: 6c6c 3d22 2366 6663 6363 6322 2073 7472  ll=\"#ffcccc\" str\n+0000cae0: 6f6b 653d 2262 6c61 636b 2220 6378 3d22  oke=\"black\" cx=\"\n+0000caf0: 3136 3030 2e39 3122 2063 793d 222d 3930  1600.91\" cy=\"-90\n+0000cb00: 392e 3632 2220 7278 3d22 3635 2e31 3122  9.62\" rx=\"65.11\"\n+0000cb10: 2072 793d 2231 332e 3337 222f 3e0a 3c74   ry=\"13.37\"/>.<t\n+0000cb20: 6578 7420 7465 7874 2d61 6e63 686f 723d  ext text-anchor=\n+0000cb30: 226d 6964 646c 6522 2078 3d22 3136 3030  \"middle\" x=\"1600\n+0000cb40: 2e39 3122 2079 3d22 2d39 3037 2e31 3222  .91\" y=\"-907.12\"\n+0000cb50: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672   font-family=\"Fr\n+0000cb60: 6565 5361 6e73 2220 666f 6e74 2d73 697a  eeSans\" font-siz\n+0000cb70: 653d 2231 302e 3030 223e 7472 616a 6563  e=\"10.00\">trajec\n+0000cb80: 746f 7279 616e 616c 7973 6973 3c2f 7465  toryanalysis</te\n+0000cb90: 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f  xt>.</a>.</g>.</\n+0000cba0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0000cbb0: 7263 5f67 726f 6d61 6373 5f74 7261 6a65  rc_gromacs_traje\n+0000cbc0: 6374 6f72 7961 6e61 6c79 7369 7326 2334  ctoryanalysis&#4\n+0000cbd0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0000cbe0: 5f67 726f 6d61 6373 5f67 6d78 7072 6570  _gromacs_gmxprep\n+0000cbf0: 726f 6365 7373 202d 2d3e 0a3c 6720 6964  rocess -->.<g id\n+0000cc00: 3d22 6564 6765 3636 2220 636c 6173 733d  =\"edge66\" class=\n+0000cc10: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+0000cc20: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000cc30: 735f 7472 616a 6563 746f 7279 616e 616c  s_trajectoryanal\n+0000cc40: 7973 6973 2623 3435 3b26 6774 3b6d 6f64  ysis&#45;&gt;mod\n+0000cc50: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000cc60: 676d 7870 7265 7072 6f63 6573 733c 2f74  gmxpreprocess</t\n+0000cc70: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+0000cc80: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" 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\"edge\">.<title>m\n+0000ce50: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000ce60: 735f 7472 616a 6563 746f 7279 616e 616c  s_trajectoryanal\n+0000ce70: 7973 6973 2623 3435 3b26 6774 3b6d 6f64  ysis&#45;&gt;mod\n+0000ce80: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000ce90: 676d 7861 6e61 3c2f 7469 746c 653e 0a3c  gmxana</title>.<\n+0000cea0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+0000ceb0: 2073 7472 6f6b 653d 2223 3263 6363 3238   stroke=\"#2ccc28\n+0000cec0: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+0000ced0: 6179 3d22 352c 3222 2064 3d22 4d31 3538  ay=\"5,2\" d=\"M158\n+0000cee0: 372e 3539 2c2d 3932 332e 3135 4331 3535  7.59,-923.15C155\n+0000cef0: 362e 3335 2c2d 3935 312e 3632 2031 3437  6.35,-951.62 147\n+0000cf00: 342e 3737 2c2d 3130 3230 2e39 2031 3339  4.77,-1020.9 139\n+0000cf10: 312e 3931 2c2d 3130 3438 2e37 3920 3132  1.91,-1048.79 12\n+0000cf20: 3632 2e31 312c 2d31 3039 322e 3438 2038  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ule_src_gromacs_\n+0000d010: 636f 6f72 6469 6e61 7465 696f 202d 2d3e  coordinateio -->\n+0000d020: 0a3c 6720 6964 3d22 6564 6765 3634 2220  .<g id=\"edge64\" \n+0000d030: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+0000d040: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+0000d050: 6772 6f6d 6163 735f 7472 616a 6563 746f  gromacs_trajecto\n+0000d060: 7279 616e 616c 7973 6973 2623 3435 3b26  ryanalysis&#45;&\n+0000d070: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0000d080: 6f6d 6163 735f 636f 6f72 6469 6e61 7465  omacs_coordinate\n+0000d090: 696f 3c2f 7469 746c 653e 0a3c 7061 7468  io</title>.<path\n+0000d0a0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+0000d0b0: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n+0000d0c0: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+0000d0d0: 352c 3222 2064 3d22 4d31 3630 342e 3232  5,2\" d=\"M1604.22\n+0000d0e0: 2c2d 3839 3643 3136 3036 2e31 382c 2d38  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;module_src_grom\n+0000d1d0: 6163 735f 7374 6174 6973 7469 6373 202d  acs_statistics -\n+0000d1e0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3632  ->.<g id=\"edge62\n+0000d1f0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+0000d200: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+0000d210: 635f 6772 6f6d 6163 735f 7472 616a 6563  c_gromacs_trajec\n+0000d220: 746f 7279 616e 616c 7973 6973 2623 3435  toryanalysis&#45\n+0000d230: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0000d240: 6772 6f6d 6163 735f 7374 6174 6973 7469  gromacs_statisti\n+0000d250: 6373 3c2f 7469 746c 653e 0a3c 7061 7468  cs</title>.<path\n+0000d260: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+0000d270: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n+0000d280: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+0000d290: 352c 3222 2064 3d22 4d31 3534 392e 3032  5,2\" d=\"M1549.02\n+0000d2a0: 2c2d 3930 312e 3435 4331 3436 322e 3132  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cs_trajectoryana\n+0000d8d0: 6c79 7369 7326 2334 353b 2667 743b 6d6f  lysis&#45;&gt;mo\n+0000d8e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000d8f0: 5f66 696c 6569 6f20 2d2d 3e0a 3c67 2069  _fileio -->.<g i\n+0000d900: 643d 2265 6467 6535 3922 2063 6c61 7373  d=\"edge59\" class\n+0000d910: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+0000d920: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000d930: 6373 5f74 7261 6a65 6374 6f72 7961 6e61  cs_trajectoryana\n+0000d940: 6c79 7369 7326 2334 353b 2667 743b 6d6f  lysis&#45;&gt;mo\n+0000d950: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0000d960: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a  _fileio</title>.\n+0000d970: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+0000d980: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+0000d990: 6622 2064 3d22 4d31 3537 382e 3938 2c2d  f\" d=\"M1578.98,-\n+0000d9a0: 3839 362e 3836 4331 3536 322e 3938 2c2d  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3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0000e1a0: 6163 735f 676d 786c 6962 202d 2d3e 0a3c  acs_gmxlib -->.<\n+0000e1b0: 6720 6964 3d22 6564 6765 3732 2220 636c  g id=\"edge72\" cl\n+0000e1c0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+0000e1d0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+0000e1e0: 6f6d 6163 735f 6e62 6e78 6d26 2334 353b  omacs_nbnxm&#45;\n+0000e1f0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0000e200: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74  romacs_gmxlib</t\n+0000e210: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+0000e220: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+0000e230: 2362 6662 6662 6622 2064 3d22 4d37 3539  #bfbfbf\" d=\"M759\n+0000e240: 2e39 372c 2d32 3735 2e36 3243 3839 302e  .97,-275.62C890.\n+0000e250: 3532 2c2d 3235 362e 3937 2031 3430 382e  52,-256.97 1408.\n+0000e260: 3333 2c2d 3138 322e 3938 2031 3535 362e  33,-182.98 1556.\n+0000e270: 3235 2c2d 3136 312e 3834 222f 3e0a 3c70  25,-161.84\"/>.<p\n+0000e280: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n+0000e290: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n+0000e2a0: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n+0000e2b0: 3535 362e 3835 2c2d 3136 352e 3239 2031  556.85,-165.29 1\n+0000e2c0: 3536 362e 3236 2c2d 3136 302e 3431 2031  566.26,-160.41 1\n+0000e2d0: 3535 352e 3836 2c2d 3135 382e 3336 2031  555.86,-158.36 1\n+0000e2e0: 3535 362e 3835 2c2d 3136 352e 3239 222f  556.85,-165.29\"/\n+0000e2f0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+0000e300: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e  le_src_gromacs_n\n+0000e310: 626e 786d 2623 3435 3b26 6774 3b6d 6f64  bnxm&#45;&gt;mod\n+0000e320: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0000e330: 6861 7264 7761 7265 202d 2d3e 0a3c 6720  hardware -->.<g \n+0000e340: 6964 3d22 6564 6765 3731 2220 636c 6173  id=\"edge71\" clas\n+0000e350: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+0000e360: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+0000e370: 6163 735f 6e62 6e78 6d26 2334 353b 2667  acs_nbnxm&#45;&g\n+0000e380: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0000e390: 6d61 6373 5f68 6172 6477 6172 653c 2f74  macs_hardware</t\n+0000e3a0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+0000e3b0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+0000e3c0: 7265 6422 2064 3d22 4d37 3537 2e37 362c  red\" d=\"M757.76,\n+0000e3d0: 2d32 3837 2e39 3343 3739 302e 3139 2c2d  -287.93C790.19,-\n+0000e3e0: 3239 352e 3438 2038 3434 2e39 322c 2d33  295.48 844.92,-3\n+0000e3f0: 3039 2e39 3720 3838 382e 3931 2c2d 3333  09.97 888.91,-33\n+0000e400: 302e 3335 2039 3233 2e35 2c2d 3334 362e  0.35 923.5,-346.\n+0000e410: 3338 2039 3539 2e39 322c 2d33 3731 2e32  38 959.92,-371.2\n+0000e420: 3720 3938 322e 3735 2c2d 3338 3822 2f3e  7 982.75,-388\"/>\n+0000e430: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+0000e440: 7265 6422 2073 7472 6f6b 653d 2272 6564  red\" stroke=\"red\n+0000e450: 2220 706f 696e 7473 3d22 3938 302e 3639  \" points=\"980.69\n+0000e460: 2c2d 3339 302e 3833 2039 3930 2e38 312c  ,-390.83 990.81,\n+0000e470: 2d33 3933 2e39 3820 3938 342e 3836 2c2d  -393.98 984.86,-\n+0000e480: 3338 352e 3231 2039 3830 2e36 392c 2d33  385.21 980.69,-3\n+0000e490: 3930 2e38 3322 2f3e 0a3c 2f67 3e0a 3c21  90.83\"/>.</g>.<!\n+0000e4a0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+0000e4b0: 6f6d 6163 735f 6e62 6e78 6d26 2334 353b  omacs_nbnxm&#45;\n+0000e4c0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0000e4d0: 726f 6d61 6373 5f65 7761 6c64 202d 2d3e  romacs_ewald -->\n+0000e4e0: 0a3c 6720 6964 3d22 6564 6765 3734 2220  .<g id=\"edge74\" \n+0000e4f0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+0000e500: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+0000e510: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334  gromacs_nbnxm&#4\n+0000e520: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0000e530: 5f67 726f 6d61 6373 5f65 7761 6c64 3c2f  _gromacs_ewald</\n+0000e540: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+0000e550: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+0000e560: 2223 3263 6363 3238 2220 7374 726f 6b65  \"#2ccc28\" stroke\n+0000e570: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+0000e580: 2064 3d22 4d36 3937 2e37 342c 2d32 3833   d=\"M697.74,-283\n+0000e590: 2e36 3743 3539 332e 3036 2c2d 3238 392e  .67C593.06,-289.\n+0000e5a0: 3939 2032 3639 2e39 312c 2d33 3136 2e31  99 269.91,-316.1\n+0000e5b0: 3820 3236 392e 3931 2c2d 3430 352e 3636  8 269.91,-405.66\n+0000e5c0: 2032 3639 2e39 312c 2d35 3936 2e32 3720   269.91,-596.27 \n+0000e5d0: 3236 392e 3931 2c2d 3539 362e 3237 2032  269.91,-596.27 2\n+0000e5e0: 3639 2e39 312c 2d35 3936 2e32 3720 3236  69.91,-596.27 26\n+0000e5f0: 392e 3931 2c2d 3637 322e 3134 2033 3137  9.91,-672.14 317\n+0000e600: 2e30 332c 2d38 3637 2e36 3820 3336 382e  .03,-867.68 368.\n+0000e610: 3931 2c2d 3932 332e 3035 2033 3735 2e35  91,-923.05 375.5\n+0000e620: 2c2d 3933 302e 3039 2034 3235 2e30 312c  ,-930.09 425.01,\n+0000e630: 2d39 3437 2e34 3920 3435 382e 3437 2c2d  -947.49 458.47,-\n+0000e640: 3935 392e 3422 2f3e 0a3c 706f 6c79 676f  959.4\"/>.<polygo\n+0000e650: 6e20 6669 6c6c 3d22 2332 6363 6332 3822  n fill=\"#2ccc28\"\n+0000e660: 2073 7472 6f6b 653d 2223 3263 6363 3238   stroke=\"#2ccc28\n+0000e670: 2220 706f 696e 7473 3d22 3435 372e 3639  \" points=\"457.69\n+0000e680: 2c2d 3936 322e 3833 2034 3638 2e32 382c  ,-962.83 468.28,\n+0000e690: 2d39 3632 2e39 2034 3630 2e30 342c 2d39  -962.9 460.04,-9\n+0000e6a0: 3536 2e32 3420 3435 372e 3639 2c2d 3936  56.24 457.69,-96\n+0000e6b0: 322e 3833 222f 3e0a 3c2f 673e 0a3c 212d  2.83\"/>.</g>.<!-\n+0000e6c0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+0000e6d0: 6d61 6373 5f6e 626e 786d 2623 3435 3b26  macs_nbnxm&#45;&\n+0000e6e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0000e6f0: 6f6d 6163 735f 646f 6d64 6563 202d 2d3e  omacs_domdec -->\n+0000e700: 0a3c 6720 6964 3d22 6564 6765 3730 2220  .<g id=\"edge70\" \n+0000e710: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+0000e720: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+0000e730: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334  gromacs_nbnxm&#4\n+0000e740: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0000e750: 5f67 726f 6d61 6373 5f64 6f6d 6465 633c  _gromacs_domdec<\n+0000e760: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+0000e770: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+0000e780: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+0000e790: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n+0000e7a0: 2220 643d 224d 3733 312e 3337 2c2d 3239  \" d=\"M731.37,-29\n+0000e7b0: 342e 3539 4337 3239 2e33 2c2d 3332 372e  4.59C729.3,-327.\n+0000e7c0: 3734 2037 3135 2e32 2c2d 3431 382e 3835  74 715.2,-418.85\n+0000e7d0: 2037 3437 2e39 312c 2d34 3832 2e39 3620   747.91,-482.96 \n+0000e7e0: 3736 352e 362c 2d35 3137 2e36 3420 3737  765.6,-517.64 77\n+0000e7f0: 342e 3534 2c2d 3532 372e 3534 2038 3038  4.54,-527.54 808\n+0000e800: 2e39 312c 2d35 3435 2e38 3320 3837 372e  .91,-545.83 877.\n+0000e810: 3833 2c2d 3538 322e 3520 3936 392e 322c  83,-582.5 969.2,\n+0000e820: 2d35 3932 2e30 3720 3130 3233 2e36 342c  -592.07 1023.64,\n+0000e830: 2d35 3934 2e32 3122 2f3e 0a3c 706f 6c79  -594.21\"/>.<poly\n+0000e840: 676f 6e20 6669 6c6c 3d22 2332 3832 6663  gon fill=\"#282fc\n+0000e850: 6322 2073 7472 6f6b 653d 2223 3238 3266  c\" stroke=\"#282f\n+0000e860: 6363 2220 706f 696e 7473 3d22 3130 3233  cc\" points=\"1023\n+0000e870: 2e35 382c 2d35 3937 2e37 3120 3130 3333  .58,-597.71 1033\n+0000e880: 2e36 392c 2d35 3934 2e35 3320 3130 3233  .69,-594.53 1023\n+0000e890: 2e38 312c 2d35 3930 2e37 3120 3130 3233  .81,-590.71 1023\n+0000e8a0: 2e35 382c 2d35 3937 2e37 3122 2f3e 0a3c  .58,-597.71\"/>.<\n+0000e8b0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+0000e8c0: 7372 635f 6772 6f6d 6163 735f 6e62 6e78  src_gromacs_nbnx\n+0000e8d0: 6d26 2334 353b 2667 743b 6d6f 6475 6c65  m&#45;&gt;module\n+0000e8e0: 5f73 7263 5f67 726f 6d61 6373 5f67 7075  _src_gromacs_gpu\n+0000e8f0: 5f75 7469 6c73 202d 2d3e 0a3c 6720 6964  _utils -->.<g id\n+0000e900: 3d22 6564 6765 3637 2220 636c 6173 733d  =\"edge67\" class=\n+0000e910: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+0000e920: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000e930: 735f 6e62 6e78 6d26 2334 353b 2667 743b  s_nbnxm&#45;&gt;\n+0000e940: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0000e950: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469  cs_gpu_utils</ti\n+0000e960: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+0000e970: 226e 6f6e 6522 2073 7472 6f6b 653d 2272  \"none\" stroke=\"r\n+0000e980: 6564 2220 643d 224d 3735 312e 3536 2c2d  ed\" d=\"M751.56,-\n+0000e990: 3239 312e 3133 4337 3730 2e31 342c 2d33  291.13C770.14,-3\n+0000e9a0: 3030 2e33 3720 3739 362e 3633 2c2d 3331  00.37 796.63,-31\n+0000e9b0: 342e 3833 2038 3135 2e38 352c 2d33 3236  4.83 815.85,-326\n+0000e9c0: 2e31 222f 3e0a 3c70 6f6c 7967 6f6e 2066  .1\"/>.<polygon f\n+0000e9d0: 696c 6c3d 2272 6564 2220 7374 726f 6b65  ill=\"red\" stroke\n+0000e9e0: 3d22 7265 6422 2070 6f69 6e74 733d 2238  =\"red\" points=\"8\n+0000e9f0: 3134 2e32 352c 2d33 3239 2e32 3220 3832  14.25,-329.22 82\n+0000ea00: 342e 3633 2c2d 3333 312e 3334 2038 3137  4.63,-331.34 817\n+0000ea10: 2e38 332c 2d33 3233 2e32 3120 3831 342e  .83,-323.21 814.\n+0000ea20: 3235 2c2d 3332 392e 3232 222f 3e0a 3c2f  25,-329.22\"/>.</\n+0000ea30: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0000ea40: 7263 5f67 726f 6d61 6373 5f6e 626e 786d  rc_gromacs_nbnxm\n+0000ea50: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0000ea60: 7372 635f 6772 6f6d 6163 735f 6c69 7374  src_gromacs_list\n+0000ea70: 6564 5f66 6f72 6365 7320 2d2d 3e0a 3c67  ed_forces -->.<g\n+0000ea80: 2069 643d 2265 6467 6537 3322 2063 6c61   id=\"edge73\" cla\n+0000ea90: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+0000eaa0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+0000eab0: 6d61 6373 5f6e 626e 786d 2623 3435 3b26  macs_nbnxm&#45;&\n+0000eac0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0000ead0: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72  omacs_listed_for\n+0000eae0: 6365 733c 2f74 6974 6c65 3e0a 3c70 6174  ces</title>.<pat\n+0000eaf0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+0000eb00: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n+0000eb10: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n+0000eb20: 2235 2c32 2220 643d 224d 3731 392e 3434  \"5,2\" d=\"M719.44\n+0000eb30: 2c2d 3236 382e 3138 4337 3134 2e39 362c  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rx=\n+0000eec0: 2232 3722 2072 793d 2231 332e 3337 222f  \"27\" ry=\"13.37\"/\n+0000eed0: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63  >.<text text-anc\n+0000eee0: 686f 723d 226d 6964 646c 6522 2078 3d22  hor=\"middle\" x=\"\n+0000eef0: 3133 3439 2e39 3122 2079 3d22 2d31 3232  1349.91\" y=\"-122\n+0000ef00: 312e 3437 2220 666f 6e74 2d66 616d 696c  1.47\" font-famil\n+0000ef10: 793d 2246 7265 6553 616e 7322 2066 6f6e  y=\"FreeSans\" fon\n+0000ef20: 742d 7369 7a65 3d22 3130 2e30 3022 3e73  t-size=\"10.00\">s\n+0000ef30: 696d 643c 2f74 6578 743e 0a3c 2f61 3e0a  imd</text>.</a>.\n+0000ef40: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d  </g>.</g>.<!-- m\n+0000ef50: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0000ef60: 735f 6861 7264 7761 7265 2623 3435 3b26  s_hardware&#45;&\n+0000ef70: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0000ef80: 6f6d 6163 735f 6770 755f 7574 696c 7320  omacs_gpu_utils \n+0000ef90: 2d2d 3e0a 3c67 2069 643d 2265 6467 6537  -->.<g 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696.6\n+0000f400: 332c 2d31 3039 352e 3934 222f 3e0a 3c70  3,-1095.94\"/>.<p\n+0000f410: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3263  olygon fill=\"#2c\n+0000f420: 6363 3238 2220 7374 726f 6b65 3d22 2332  cc28\" stroke=\"#2\n+0000f430: 6363 6332 3822 2070 6f69 6e74 733d 2236  ccc28\" points=\"6\n+0000f440: 3936 2e32 322c 2d31 3039 322e 3435 2036  96.22,-1092.45 6\n+0000f450: 3836 2e33 322c 2d31 3039 362e 3234 2036  86.32,-1096.24 6\n+0000f460: 3936 2e34 322c 2d31 3039 392e 3435 2036  96.42,-1099.45 6\n+0000f470: 3936 2e32 322c 2d31 3039 322e 3435 222f  96.22,-1092.45\"/\n+0000f480: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+0000f490: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n+0000f4a0: 6e65 7267 7961 6e61 6c79 7369 7326 2334  nergyanalysis&#4\n+0000f4b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0000f4c0: 5f67 726f 6d61 6373 5f73 7461 7469 7374  _gromacs_statist\n+0000f4d0: 6963 7320 2d2d 3e0a 3c67 2069 643d 2265  ics -->.<g 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class=\"e\n+000102e0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+000102f0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00010300: 746f 706f 6c6f 6779 2623 3435 3b26 6774  topology&#45;&gt\n+00010310: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00010320: 6163 735f 6d64 7479 7065 733c 2f74 6974  acs_mdtypes</tit\n+00010330: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00010340: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n+00010350: 3832 6663 6322 2073 7472 6f6b 652d 6461  82fcc\" stroke-da\n+00010360: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n+00010370: 224d 3231 3133 2e31 382c 2d31 3039 332e  \"M2113.18,-1093.\n+00010380: 3834 4332 3038 352e 3333 2c2d 3130 3931  84C2085.33,-1091\n+00010390: 2e32 3320 3230 3435 2e36 372c 2d31 3038  .23 2045.67,-108\n+000103a0: 372e 3632 2032 3031 302e 3931 2c2d 3130  7.62 2010.91,-10\n+000103b0: 3834 2e37 3920 3137 3738 2e39 322c 2d31  84.79 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dule_src_testuti\n+000104a0: 6c73 202d 2d3e 0a3c 6720 6964 3d22 6564  ls -->.<g id=\"ed\n+000104b0: 6765 3834 2220 636c 6173 733d 2265 6467  ge84\" class=\"edg\n+000104c0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+000104d0: 655f 7372 635f 6772 6f6d 6163 735f 746f  e_src_gromacs_to\n+000104e0: 706f 6c6f 6779 2623 3435 3b26 6774 3b6d  pology&#45;&gt;m\n+000104f0: 6f64 756c 655f 7372 635f 7465 7374 7574  odule_src_testut\n+00010500: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174  ils</title>.<pat\n+00010510: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00010520: 726f 6b65 3d22 7265 6422 2064 3d22 4d32  roke=\"red\" d=\"M2\n+00010530: 3136 382e 382c 2d31 3038 362e 3833 4332  168.8,-1086.83C2\n+00010540: 3231 312e 3635 2c2d 3130 3633 2e34 3320  211.65,-1063.43 \n+00010550: 3233 3133 2e31 362c 2d31 3030 322e 3434  2313.16,-1002.44\n+00010560: 2032 3336 372e 3931 2c2d 3932 332e 3035   2367.91,-923.05\n+00010570: 2032 3337 382e 3836 2c2d 3930 372e 3137   2378.86,-907.17\n+00010580: 2032 3338 352e 3032 2c2d 3838 362e 3033   2385.02,-886.03\n+00010590: 2032 3338 382e 3335 2c2d 3837 302e 3139   2388.35,-870.19\n+000105a0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+000105b0: 6c3d 2272 6564 2220 7374 726f 6b65 3d22  l=\"red\" stroke=\"\n+000105c0: 7265 6422 2070 6f69 6e74 733d 2232 3339  red\" points=\"239\n+000105d0: 312e 3832 2c2d 3837 302e 3637 2032 3339  1.82,-870.67 239\n+000105e0: 302e 3233 2c2d 3836 302e 3220 3233 3834  0.23,-860.2 2384\n+000105f0: 2e39 342c 2d38 3639 2e33 3820 3233 3931  .94,-869.38 2391\n+00010600: 2e38 322c 2d38 3730 2e36 3722 2f3e 0a3c  .82,-870.67\"/>.<\n+00010610: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00010620: 7372 635f 6772 6f6d 6163 735f 6d69 6d69  src_gromacs_mimi\n+00010630: 6320 2d2d 3e0a 3c67 2069 643d 226e 6f64  c -->.<g id=\"nod\n+00010640: 6532 3122 2063 6c61 7373 3d22 6e6f 6465  e21\" class=\"node\n+00010650: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  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3e0a  mic</text>.</g>.\n+00010740: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00010750: 6772 6f6d 6163 735f 6d69 6d69 6326 2334  gromacs_mimic&#4\n+00010760: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00010770: 5f67 726f 6d61 6373 5f6d 646c 6962 202d  _gromacs_mdlib -\n+00010780: 2d3e 0a3c 6720 6964 3d22 6564 6765 3835  ->.<g id=\"edge85\n+00010790: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+000107a0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+000107b0: 635f 6772 6f6d 6163 735f 6d69 6d69 6326  c_gromacs_mimic&\n+000107c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+000107d0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n+000107e0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+000107f0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00010800: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n+00010810: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+00010820: 3222 2064 3d22 4d37 3931 2e37 322c 2d34  2\" d=\"M791.72,-4\n+00010830: 3833 2e31 3643 3739 362e 3933 2c2d 3532  83.16C796.93,-52\n+00010840: 312e 3136 2038 3131 2e32 382c 2d36 3337  1.16 811.28,-637\n+00010850: 2e37 3320 3830 352e 3931 2c2d 3733 342e  .73 805.91,-734.\n+00010860: 3434 2038 3034 2e33 352c 2d37 3632 2e35  44 804.35,-762.5\n+00010870: 3120 3830 322e 3731 2c2d 3736 392e 3435  1 802.71,-769.45\n+00010880: 2037 3938 2e39 312c 2d37 3937 2e33 3120   798.91,-797.31 \n+00010890: 3739 342e 372c 2d38 3238 2e31 3520 3738  794.7,-828.15 78\n+000108a0: 382e 3738 2c2d 3836 332e 3631 2037 3834  8.78,-863.61 784\n+000108b0: 2e38 392c 2d38 3836 2e30 3622 2f3e 0a3c  .89,-886.06\"/>.<\n+000108c0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n+000108d0: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n+000108e0: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n+000108f0: 3738 312e 3434 2c2d 3838 352e 3531 2037  781.44,-885.51 7\n+00010900: 3833 2e31 362c 2d38 3935 2e39 3620 3738  83.16,-895.96 78\n+00010910: 382e 3333 2c2d 3838 362e 3731 2037 3831  8.33,-886.71 781\n+00010920: 2e34 342c 2d38 3835 2e35 3122 2f3e 0a3c  .44,-885.51\"/>.<\n+00010930: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00010940: 7372 635f 6772 6f6d 6163 735f 696d 6426  src_gromacs_imd&\n+00010950: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00010960: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n+00010970: 7574 696c 6974 7920 2d2d 3e0a 3c67 2069  utility -->.<g i\n+00010980: 643d 2265 6467 6539 3122 2063 6c61 7373  d=\"edge91\" class\n+00010990: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+000109a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000109b0: 6373 5f69 6d64 2623 3435 3b26 6774 3b6d  cs_imd&#45;&gt;m\n+000109c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+000109d0: 735f 6d64 7275 6e75 7469 6c69 7479 3c2f  s_mdrunutility</\n+000109e0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+000109f0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00010a00: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+00010a10: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+00010a20: 2064 3d22 4d31 3834 342e 3936 2c2d 3437   d=\"M1844.96,-47\n+00010a30: 302e 3736 4331 3931 302e 3732 2c2d 3437  0.76C1910.72,-47\n+00010a40: 312e 3936 2032 3037 362e 3031 2c2d 3437  1.96 2076.01,-47\n+00010a50: 382e 3938 2032 3130 392e 3931 2c2d 3531  8.98 2109.91,-51\n+00010a60: 382e 3936 2032 3134 382e 3039 2c2d 3536  8.96 2148.09,-56\n+00010a70: 332e 3939 2032 3130 362e 3639 2c2d 3130  3.99 2106.69,-10\n+00010a80: 3032 2e36 3120 3230 3639 2e39 312c 2d31  02.61 2069.91,-1\n+00010a90: 3034 382e 3739 2032 3036 302e 3038 2c2d  048.79 2060.08,-\n+00010aa0: 3130 3631 2e31 3220 3230 3234 2e32 362c  1061.12 2024.26,\n+00010ab0: 2d31 3037 352e 3039 2031 3939 352e 3137  -1075.09 1995.17\n+00010ac0: 2c2d 3130 3834 2e38 3422 2f3e 0a3c 706f  ,-1084.84\"/>.<po\n+00010ad0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n+00010ae0: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n+00010af0: 3266 6363 2220 706f 696e 7473 3d22 3139  2fcc\" points=\"19\n+00010b00: 3934 2e30 322c 2d31 3038 312e 3534 2031  94.02,-1081.54 1\n+00010b10: 3938 352e 3631 2c2d 3130 3837 2e39 3820  985.61,-1087.98 \n+00010b20: 3139 3936 2e32 312c 2d31 3038 382e 3139  1996.21,-1088.19\n+00010b30: 2031 3939 342e 3032 2c2d 3130 3831 2e35   1994.02,-1081.5\n+00010b40: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  4\"/>.</g>.<!-- m\n+00010b50: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00010b60: 735f 696d 6426 2334 353b 2667 743b 6d6f  s_imd&#45;&gt;mo\n+00010b70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00010b80: 5f6d 6474 7970 6573 202d 2d3e 0a3c 6720  _mdtypes -->.<g \n+00010b90: 6964 3d22 6564 6765 3932 2220 636c 6173  id=\"edge92\" clas\n+00010ba0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+00010bb0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00010bc0: 6163 735f 696d 6426 2334 353b 2667 743b  acs_imd&#45;&gt;\n+00010bd0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00010be0: 6373 5f6d 6474 7970 6573 3c2f 7469 746c  cs_mdtypes</titl\n+00010bf0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+00010c00: 6f6e 6522 2073 7472 6f6b 653d 2223 6266  one\" stroke=\"#bf\n+00010c10: 6266 6266 2220 643d 224d 3138 3133 2e31  bfbf\" d=\"M1813.1\n+00010c20: 382c 2d34 3833 2e30 3943 3138 3035 2e35  8,-483.09C1805.5\n+00010c30: 382c 2d35 3033 2e35 3820 3137 3930 2e34  8,-503.58 1790.4\n+00010c40: 312c 2d35 3435 2e35 3420 3137 3739 2e39  1,-545.54 1779.9\n+00010c50: 312c 2d35 3831 2e38 3320 3137 3435 2e31  1,-581.83 1745.1\n+00010c60: 322c 2d37 3032 2e30 3820 3137 3634 2e30  2,-702.08 1764.0\n+00010c70: 362c 2d37 3337 2e39 3820 3137 3336 2e39  6,-737.98 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1\n+00010d60: 3338 332e 3334 2c2d 3130 3334 2e37 3920  383.34,-1034.79 \n+00010d70: 3133 3933 2e34 312c 2d31 3033 382e 3131  1393.41,-1038.11\n+00010d80: 2031 3339 332e 3238 2c2d 3130 3331 2e31   1393.28,-1031.1\n+00010d90: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  1\"/>.</g>.<!-- m\n+00010da0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00010db0: 735f 696d 6426 2334 353b 2667 743b 6d6f  s_imd&#45;&gt;mo\n+00010dc0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00010dd0: 5f67 6d78 6c69 6220 2d2d 3e0a 3c67 2069  _gmxlib -->.<g i\n+00010de0: 643d 2265 6467 6538 3922 2063 6c61 7373  d=\"edge89\" class\n+00010df0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00010e00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00010e10: 6373 5f69 6d64 2623 3435 3b26 6774 3b6d  cs_imd&#45;&gt;m\n+00010e20: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00010e30: 735f 676d 786c 6962 3c2f 7469 746c 653e  s_gmxlib</title>\n+00010e40: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+00010e50: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n+00010e60: 6266 2220 643d 224d 3138 3137 2e32 342c  bf\" d=\"M1817.24,\n+00010e70: 2d34 3535 2e38 3343 3138 3134 2e33 362c  -455.83C1814.36,\n+00010e80: 2d34 3133 2e39 3920 3137 3939 2e36 2c2d  -413.99 1799.6,-\n+00010e90: 3237 382e 3933 2031 3732 362e 3931 2c2d  278.93 1726.91,-\n+00010ea0: 3230 342e 3631 2031 3730 322e 3735 2c2d  204.61 1702.75,-\n+00010eb0: 3137 392e 3931 2031 3636 342e 3839 2c2d  179.91 1664.89,-\n+00010ec0: 3136 372e 3720 3136 3336 2e30 382c 2d31  167.7 1636.08,-1\n+00010ed0: 3631 2e37 3322 2f3e 0a3c 706f 6c79 676f  61.73\"/>.<polygo\n+00010ee0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n+00010ef0: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+00010f00: 2220 706f 696e 7473 3d22 3136 3336 2e33  \" points=\"1636.3\n+00010f10: 392c 2d31 3538 2e32 3320 3136 3235 2e39  9,-158.23 1625.9\n+00010f20: 312c 2d31 3539 2e38 2031 3633 352e 3038  1,-159.8 1635.08\n+00010f30: 2c2d 3136 352e 3120 3136 3336 2e33 392c  ,-165.1 1636.39,\n+00010f40: 2d31 3538 2e32 3322 2f3e 0a3c 2f67 3e0a  -158.23\"/>.</g>.\n+00010f50: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00010f60: 6772 6f6d 6163 735f 696d 6426 2334 353b  gromacs_imd&#45;\n+00010f70: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00010f80: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69  romacs_commandli\n+00010f90: 6e65 202d 2d3e 0a3c 6720 6964 3d22 6564  ne -->.<g id=\"ed\n+00010fa0: 6765 3836 2220 636c 6173 733d 2265 6467  ge86\" class=\"edg\n+00010fb0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00010fc0: 655f 7372 635f 6772 6f6d 6163 735f 696d  e_src_gromacs_im\n+00010fd0: 6426 2334 353b 2667 743b 6d6f 6475 6c65  d&#45;&gt;module\n+00010fe0: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d  _src_gromacs_com\n+00010ff0: 6d61 6e64 6c69 6e65 3c2f 7469 746c 653e  mandline</title>\n+00011000: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+00011010: 6522 2073 7472 6f6b 653d 2262 6c61 636b  e\" stroke=\"black\n+00011020: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+00011030: 6179 3d22 352c 3222 2064 3d22 4d31 3832  ay=\"5,2\" d=\"M182\n+00011040: 352e 3731 2c2d 3435 362e 3434 4331 3833  5.71,-456.44C183\n+00011050: 382e 3834 2c2d 3433 342e 3920 3138 3633  8.84,-434.9 1863\n+00011060: 2e39 312c 2d33 3838 2e31 2031 3836 332e  .91,-388.1 1863.\n+00011070: 3931 2c2d 3334 342e 3739 2031 3836 332e  91,-344.79 1863.\n+00011080: 3931 2c2d 3334 342e 3739 2031 3836 332e  91,-344.79 1863.\n+00011090: 3931 2c2d 3334 342e 3739 2031 3836 332e  91,-344.79 1863.\n+000110a0: 3931 2c2d 3231 372e 3035 2031 3836 332e  91,-217.05 1863.\n+000110b0: 3931 2c2d 3136 352e 3233 2031 3832 322e  91,-165.23 1822.\n+000110c0: 3636 2c2d 3136 312e 3834 2031 3737 342e  66,-161.84 1774.\n+000110d0: 3931 2c2d 3134 312e 3734 2031 3639 362e  91,-141.74 1696.\n+000110e0: 3934 2c2d 3130 382e 3931 2031 3438 302e  94,-108.91 1480.\n+000110f0: 3034 2c2d 3131 342e 3637 2031 3339 352e  04,-114.67 1395.\n+00011100: 3931 2c2d 3130 352e 3734 2031 3337 392e  91,-105.74 1379.\n+00011110: 3734 2c2d 3130 342e 3032 2031 3336 322e  74,-104.02 1362.\n+00011120: 3139 2c2d 3130 322e 3032 2031 3334 362e  19,-102.02 1346.\n+00011130: 3132 2c2d 3130 302e 3133 222f 3e0a 3c70  12,-100.13\"/>.<p\n+00011140: 6f6c 7967 6f6e 2066 696c 6c3d 2262 6c61  olygon fill=\"bla\n+00011150: 636b 2220 7374 726f 6b65 3d22 626c 6163  ck\" stroke=\"blac\n+00011160: 6b22 2070 6f69 6e74 733d 2231 3334 362e  k\" points=\"1346.\n+00011170: 3134 2c2d 3936 2e36 3120 3133 3335 2e38  14,-96.61 1335.8\n+00011180: 2c2d 3938 2e39 3120 3133 3435 2e33 322c  ,-98.91 1345.32,\n+00011190: 2d31 3033 2e35 3620 3133 3436 2e31 342c  -103.56 1346.14,\n+000111a0: 2d39 362e 3631 222f 3e0a 3c2f 673e 0a3c  -96.61\"/>.</g>.<\n+000111b0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+000111c0: 726f 6d61 6373 5f69 6d64 2623 3435 3b26  romacs_imd&#45;&\n+000111d0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+000111e0: 6f6d 6163 735f 646f 6d64 6563 202d 2d3e  omacs_domdec -->\n+000111f0: 0a3c 6720 6964 3d22 6564 6765 3837 2220  .<g id=\"edge87\" \n+00011200: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+00011210: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00011220: 6772 6f6d 6163 735f 696d 6426 2334 353b  gromacs_imd&#45;\n+00011230: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00011240: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74  romacs_domdec</t\n+00011250: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+00011260: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00011270: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n+00011280: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+00011290: 643d 224d 3138 3030 2e36 2c2d 3437 392e  d=\"M1800.6,-479.\n+000112a0: 3937 4331 3739 372e 342c 2d34 3831 2e30  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point\n+00011390: 733d 2231 3131 352e 3332 2c2d 3538 382e  s=\"1115.32,-588.\n+000113a0: 3837 2031 3130 352e 3531 2c2d 3539 322e  87 1105.51,-592.\n+000113b0: 3836 2031 3131 352e 3637 2c2d 3539 352e  86 1115.67,-595.\n+000113c0: 3836 2031 3131 352e 3332 2c2d 3538 382e  86 1115.32,-588.\n+000113d0: 3837 222f 3e0a 3c2f 673e 0a3c 212d 2d20  87\"/>.</g>.<!-- \n+000113e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000113f0: 6373 5f69 6d64 2623 3435 3b26 6774 3b6d  cs_imd&#45;&gt;m\n+00011400: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00011410: 735f 6669 6c65 696f 202d 2d3e 0a3c 6720  s_fileio -->.<g \n+00011420: 6964 3d22 6564 6765 3838 2220 636c 6173  id=\"edge88\" clas\n+00011430: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+00011440: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00011450: 6163 735f 696d 6426 2334 353b 2667 743b  acs_imd&#45;&gt;\n+00011460: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00011470: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65  cs_fileio</title\n+00011480: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+00011490: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n+000114a0: 6662 6622 2064 3d22 4d31 3739 362e 3833  fbf\" d=\"M1796.83\n+000114b0: 2c2d 3437 382e 3133 4331 3736 372e 3634  ,-478.13C1767.64\n+000114c0: 2c2d 3438 382e 3835 2031 3731 362e 362c  ,-488.85 1716.6,\n+000114d0: 2d35 3038 2e32 3720 3136 3939 2e39 312c  -508.27 1699.91,\n+000114e0: 2d35 3138 2e39 3620 3136 3136 2e30 362c  -518.96 1616.06,\n+000114f0: 2d35 3732 2e36 3420 3136 3138 2e35 372c  -572.64 1618.57,\n+00011500: 2d36 3136 2e30 3720 3135 3335 2e39 312c  -616.07 1535.91,\n+00011510: 2d36 3731 2e35 3720 3134 3830 2e36 322c  -671.57 1480.62,\n+00011520: 2d37 3038 2e36 3920 3134 3633 2e31 362c  -708.69 1463.16,\n+00011530: 2d37 3133 2e36 3120 3133 3939 2e39 312c  -713.61 1399.91,\n+00011540: 2d37 3334 2e34 3420 3133 3331 2e31 322c  -734.44 1331.12,\n+00011550: 2d37 3537 2e30 3920 3132 3437 2e33 382c  -757.09 1247.38,\n+00011560: 2d37 3731 2e33 3220 3132 3030 2e37 322c  -771.32 1200.72,\n+00011570: 2d37 3738 2e31 3122 2f3e 0a3c 706f 6c79  -778.11\"/>.<poly\n+00011580: 676f 6e20 6669 6c6c 3d22 2362 6662 6662  gon fill=\"#bfbfb\n+00011590: 6622 2073 7472 6f6b 653d 2223 6266 6266  f\" stroke=\"#bfbf\n+000115a0: 6266 2220 706f 696e 7473 3d22 3132 3030  bf\" points=\"1200\n+000115b0: 2e32 2c2d 3737 342e 3635 2031 3139 302e  .2,-774.65 1190.\n+000115c0: 382c 2d37 3739 2e35 3320 3132 3031 2e31  8,-779.53 1201.1\n+000115d0: 392c 2d37 3831 2e35 3820 3132 3030 2e32  9,-781.58 1200.2\n+000115e0: 2c2d 3737 342e 3635 222f 3e0a 3c2f 673e  ,-774.65\"/>.</g>\n+000115f0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00011600: 5f67 726f 6d61 6373 5f69 6d64 2623 3435  _gromacs_imd&#45\n+00011610: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00011620: 6772 6f6d 6163 735f 6d64 6c69 6220 2d2d  gromacs_mdlib --\n+00011630: 3e0a 3c67 2069 643d 2265 6467 6539 3022  >.<g id=\"edge90\"\n+00011640: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00011650: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00011660: 5f67 726f 6d61 6373 5f69 6d64 2623 3435  _gromacs_imd&#45\n+00011670: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00011680: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74  gromacs_mdlib</t\n+00011690: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+000116a0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+000116b0: 2362 6662 6662 6622 2064 3d22 4d31 3830  #bfbfbf\" d=\"M180\n+000116c0: 302e 3136 2c2d 3437 392e 3839 4331 3739  0.16,-479.89C179\n+000116d0: 372e 3038 2c2d 3438 302e 3935 2031 3739  7.08,-480.95 179\n+000116e0: 332e 3933 2c2d 3438 312e 3939 2031 3739  3.93,-481.99 179\n+000116f0: 302e 3931 2c2d 3438 322e 3936 2031 3733  0.91,-482.96 173\n+00011700: 372e 3439 2c2d 3530 302e 3132 2031 3732  7.49,-500.12 172\n+00011710: 312e 3739 2c2d 3439 372e 3631 2031 3636  1.79,-497.61 166\n+00011720: 392e 3931 2c2d 3531 382e 3936 2031 3533  9.91,-518.96 153\n+00011730: 372e 3034 2c2d 3537 332e 3634 2031 3531  7.04,-573.64 151\n+00011740: 342e 3132 2c2d 3630 382e 3733 2031 3338  4.12,-608.73 138\n+00011750: 342e 3931 2c2d 3637 312e 3537 2031 3334  4.91,-671.57 134\n+00011760: 392e 3131 2c2d 3638 382e 3938 2031 3333  9.11,-688.98 133\n+00011770: 362c 2d36 3835 2e34 3520 3133 3032 2e39  6,-685.45 1302.9\n+00011780: 312c 2d37 3037 2e35 3720 3132 3838 2e35  1,-707.57 1288.5\n+00011790: 372c 2d37 3137 2e31 3620 3132 3930 2e33  7,-717.16 1290.3\n+000117a0: 332c 2d37 3236 2e37 3120 3132 3734 2e39  3,-726.71 1274.9\n+000117b0: 312c 2d37 3334 2e34 3420 3131 3837 2e35  1,-734.44 1187.5\n+000117c0: 312c 2d37 3738 2e32 3520 3131 3435 2e36  1,-778.25 1145.6\n+000117d0: 392c 2d37 3237 2e34 2031 3035 372e 3931  9,-727.4 1057.91\n+000117e0: 2c2d 3737 302e 3434 2031 3034 322e 3133  ,-770.44 1042.13\n+000117f0: 2c2d 3737 382e 3138 2031 3034 332e 3431  ,-778.18 1043.41\n+00011800: 2c2d 3738 372e 3339 2031 3032 382e 3931  ,-787.39 1028.91\n+00011810: 2c2d 3739 372e 3331 2039 3938 2e37 322c  ,-797.31 998.72,\n+00011820: 2d38 3137 2e39 3620 3938 352e 3734 2c2d  -817.96 985.74,-\n+00011830: 3831 332e 3633 2039 3534 2e39 312c 2d38  813.63 954.91,-8\n+00011840: 3333 2e33 3120 3933 382e 3937 2c2d 3834  33.31 938.97,-84\n+00011850: 332e 3439 2039 3338 2e33 362c 2d38 3530  3.49 938.36,-850\n+00011860: 2e38 3520 3932 312e 3931 2c2d 3836 302e  .85 921.91,-860.\n+00011870: 3138 2038 3831 2e31 392c 2d38 3833 2e32  18 881.19,-883.2\n+00011880: 3820 3836 362e 3831 2c2d 3837 392e 3933  8 866.81,-879.93\n+00011890: 2038 3232 2e39 312c 2d38 3936 2e31 3820   822.91,-896.18 \n+000118a0: 3832 302e 3237 2c2d 3839 372e 3136 2038  820.27,-897.16 8\n+000118b0: 3137 2e35 322c 2d38 3938 2e31 3820 3831  17.52,-898.18 81\n+000118c0: 342e 3732 2c2d 3839 392e 3231 222f 3e0a  4.72,-899.21\"/>.\n+000118d0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+000118e0: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" stroke=\"\n+000118f0: 2362 6662 6662 6622 2070 6f69 6e74 733d  #bfbfbf\" points=\n+00011900: 2238 3133 2e34 2c2d 3839 352e 3937 2038  \"813.4,-895.97 8\n+00011910: 3035 2e31 372c 2d39 3032 2e36 3320 3831  05.17,-902.63 81\n+00011920: 352e 3736 2c2d 3930 322e 3536 2038 3133  5.76,-902.56 813\n+00011930: 2e34 2c2d 3839 352e 3937 222f 3e0a 3c2f  .4,-895.97\"/>.</\n+00011940: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00011950: 7263 5f67 726f 6d61 6373 5f65 7761 6c64  rc_gromacs_ewald\n+00011960: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00011970: 7372 635f 6772 6f6d 6163 735f 6d64 7479  src_gromacs_mdty\n+00011980: 7065 7320 2d2d 3e0a 3c67 2069 643d 2265  pes -->.<g id=\"e\n+00011990: 6467 6539 3722 2063 6c61 7373 3d22 6564  dge97\" class=\"ed\n+000119a0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+000119b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65  le_src_gromacs_e\n+000119c0: 7761 6c64 2623 3435 3b26 6774 3b6d 6f64  wald&#45;&gt;mod\n+000119d0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000119e0: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a  mdtypes</title>.\n+000119f0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00011a00: 2220 7374 726f 6b65 3d22 7265 6422 2064  \" stroke=\"red\" d\n+00011a10: 3d22 4d35 3137 2e35 2c2d 3937 352e 3334  =\"M517.5,-975.34\n+00011a20: 4336 3432 2e36 322c 2d39 3833 2e38 3620  C642.62,-983.86 \n+00011a30: 3131 3431 2e35 362c 2d31 3031 392e 3332  1141.56,-1019.32\n+00011a40: 2031 3239 372e 3839 2c2d 3130 3330 2e37   1297.89,-1030.7\n+00011a50: 3722 2f3e 0a3c 706f 6c79 676f 6e20 6669  7\"/>.<polygon fi\n+00011a60: 6c6c 3d22 7265 6422 2073 7472 6f6b 653d  ll=\"red\" stroke=\n+00011a70: 2272 6564 2220 706f 696e 7473 3d22 3132  \"red\" points=\"12\n+00011a80: 3937 2e38 392c 2d31 3033 342e 3238 2031  97.89,-1034.28 1\n+00011a90: 3330 382e 3132 2c2d 3130 3331 2e35 3220  308.12,-1031.52 \n+00011aa0: 3132 3938 2e34 2c2d 3130 3237 2e33 2031  1298.4,-1027.3 1\n+00011ab0: 3239 372e 3839 2c2d 3130 3334 2e32 3822  297.89,-1034.28\"\n+00011ac0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00011ad0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00011ae0: 6577 616c 6426 2334 353b 2667 743b 6d6f  ewald&#45;&gt;mo\n+00011af0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00011b00: 5f67 6d78 6c69 6220 2d2d 3e0a 3c67 2069  _gmxlib -->.<g i\n+00011b10: 643d 2265 6467 6539 3422 2063 6c61 7373  d=\"edge94\" class\n+00011b20: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00011b30: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00011b40: 6373 5f65 7761 6c64 2623 3435 3b26 6774  cs_ewald&#45;&gt\n+00011b50: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00011b60: 6163 735f 676d 786c 6962 3c2f 7469 746c  acs_gmxlib</titl\n+00011b70: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path 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gt;module_src_gr\n+00011fe0: 6f6d 6163 735f 6861 7264 7761 7265 3c2f  omacs_hardware</\n+00011ff0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00012000: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00012010: 2272 6564 2220 643d 224d 3436 362e 3034  \"red\" d=\"M466.04\n+00012020: 2c2d 3936 342e 3131 4334 3436 2e37 312c  ,-964.11C446.71,\n+00012030: 2d39 3536 2e37 3220 3431 392e 3731 2c2d  -956.72 419.71,-\n+00012040: 3934 332e 3437 2034 3033 2e39 312c 2d39  943.47 403.91,-9\n+00012050: 3233 2e30 3520 3336 322e 322c 2d38 3639  23.05 362.2,-869\n+00012060: 2e31 3520 3336 392e 3935 2c2d 3833 352e  .15 369.95,-835.\n+00012070: 3920 3338 382e 3931 2c2d 3737 302e 3434  9 388.91,-770.44\n+00012080: 2033 3937 2e39 332c 2d37 3339 2e33 2034   397.93,-739.3 4\n+00012090: 3037 2e31 392c 2d37 3334 2e30 3420 3432  07.19,-734.04 42\n+000120a0: 352e 3931 2c2d 3730 372e 3537 2034 3830  5.91,-707.57 480\n+000120b0: 2e31 342c 2d36 3330 2e38 3920 3530 312e  .14,-630.89 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cs_ewald&#45;&gt\n+00012360: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00012370: 6163 735f 646f 6d64 6563 202d 2d3e 0a3c  acs_domdec -->.<\n+00012380: 6720 6964 3d22 6564 6765 3933 2220 636c  g id=\"edge93\" cl\n+00012390: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+000123a0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+000123b0: 6f6d 6163 735f 6577 616c 6426 2334 353b  omacs_ewald&#45;\n+000123c0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+000123d0: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74  romacs_domdec</t\n+000123e0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+000123f0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+00012400: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n+00012410: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+00012420: 643d 224d 3438 312e 3835 2c2d 3935 392e  d=\"M481.85,-959.\n+00012430: 3443 3437 342e 3038 2c2d 3933 342e 3538  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3d22 2d34 3036 2e36  8.91\" cy=\"-406.6\n+00012990: 3622 2072 783d 2233 312e 3634 2220 7279  6\" rx=\"31.64\" ry\n+000129a0: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874  =\"13.37\"/>.<text\n+000129b0: 2074 6578 742d 616e 6368 6f72 3d22 6d69   text-anchor=\"mi\n+000129c0: 6464 6c65 2220 783d 2237 3638 2e39 3122  ddle\" x=\"768.91\"\n+000129d0: 2079 3d22 2d34 3034 2e31 3622 2066 6f6e   y=\"-404.16\" fon\n+000129e0: 742d 6661 6d69 6c79 3d22 4672 6565 5361  t-family=\"FreeSa\n+000129f0: 6e73 2220 666f 6e74 2d73 697a 653d 2231  ns\" font-size=\"1\n+00012a00: 302e 3030 223e 7062 6375 7469 6c3c 2f74  0.00\">pbcutil</t\n+00012a10: 6578 743e 0a3c 2f67 3e0a 3c21 2d2d 206d  ext>.</g>.<!-- m\n+00012a20: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00012a30: 735f 7062 6375 7469 6c26 2334 353b 2667  s_pbcutil&#45;&g\n+00012a40: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00012a50: 6d61 6373 5f67 7075 5f75 7469 6c73 202d  macs_gpu_utils -\n+00012a60: 2d3e 0a3c 6720 6964 3d22 6564 6765 3130  ->.<g id=\"edge10\n+00012a70: 3122 2063 6c61 7373 3d22 6564 6765 223e  1\" class=\"edge\">\n+00012a80: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00012a90: 7263 5f67 726f 6d61 6373 5f70 6263 7574  rc_gromacs_pbcut\n+00012aa0: 696c 2623 3435 3b26 6774 3b6d 6f64 756c  il&#45;&gt;modul\n+00012ab0: 655f 7372 635f 6772 6f6d 6163 735f 6770  e_src_gromacs_gp\n+00012ac0: 755f 7574 696c 733c 2f74 6974 6c65 3e0a  u_utils</title>.\n+00012ad0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00012ae0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+00012af0: 6622 2064 3d22 4d37 3832 2e32 362c 2d33  f\" d=\"M782.26,-3\n+00012b00: 3934 2e32 3143 3739 322e 3435 2c2d 3338  94.21C792.45,-38\n+00012b10: 352e 3438 2038 3036 2e36 382c 2d33 3733  5.48 806.68,-373\n+00012b20: 2e32 3820 3831 382e 3435 2c2d 3336 332e  .28 818.45,-363.\n+00012b30: 3138 222f 3e0a 3c70 6f6c 7967 6f6e 2066  18\"/>.<polygon f\n+00012b40: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n+00012b50: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n+00012b60: 6f69 6e74 733d 2238 3230 2e38 322c 2d33  oints=\"820.82,-3\n+00012b70: 3635 2e37 3620 3832 362e 3133 2c2d 3335  65.76 826.13,-35\n+00012b80: 362e 3620 3831 362e 3236 2c2d 3336 302e  6.6 816.26,-360.\n+00012b90: 3435 2038 3230 2e38 322c 2d33 3635 2e37  45 820.82,-365.7\n+00012ba0: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  6\"/>.</g>.<!-- m\n+00012bb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00012bc0: 735f 636f 6d6d 616e 646c 696e 6526 2334  s_commandline&#4\n+00012bd0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00012be0: 5f67 726f 6d61 6373 5f6f 6e6c 696e 6568  _gromacs_onlineh\n+00012bf0: 656c 7020 2d2d 3e0a 3c67 2069 643d 2265  elp -->.<g id=\"e\n+00012c00: 6467 6531 3034 2220 636c 6173 733d 2265  dge104\" class=\"e\n+00012c10: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00012c20: 756c 655f 7372 635f 6772 6f6d 6163 735f  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src_gromacs_comm\n+00012fb0: 616e 646c 696e 6526 2334 353b 2667 743b  andline&#45;&gt;\n+00012fc0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00012fd0: 6373 5f6f 7074 696f 6e73 202d 2d3e 0a3c  cs_options -->.<\n+00012fe0: 6720 6964 3d22 6564 6765 3130 3322 2063  g id=\"edge103\" c\n+00012ff0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00013000: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00013010: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69  romacs_commandli\n+00013020: 6e65 2623 3435 3b26 6774 3b6d 6f64 756c  ne&#45;&gt;modul\n+00013030: 655f 7372 635f 6772 6f6d 6163 735f 6f70  e_src_gromacs_op\n+00013040: 7469 6f6e 733c 2f74 6974 6c65 3e0a 3c70  tions</title>.<p\n+00013050: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00013060: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00013070: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n+00013080: 793d 2235 2c32 2220 643d 224d 3132 3839  y=\"5,2\" 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&gt;module_src_g\n+00013170: 726f 6d61 6373 5f68 6172 6477 6172 6520  romacs_hardware \n+00013180: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+00013190: 3036 2220 636c 6173 733d 2265 6467 6522  06\" class=\"edge\"\n+000131a0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+000131b0: 7372 635f 6772 6f6d 6163 735f 6666 7426  src_gromacs_fft&\n+000131c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+000131d0: 7263 5f67 726f 6d61 6373 5f68 6172 6477  rc_gromacs_hardw\n+000131e0: 6172 653c 2f74 6974 6c65 3e0a 3c70 6174  are</title>.<pat\n+000131f0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00013200: 726f 6b65 3d22 7265 6422 2064 3d22 4d32  roke=\"red\" d=\"M2\n+00013210: 3330 2e34 382c 2d38 3935 2e38 3943 3234  30.48,-895.89C24\n+00013220: 302e 3234 2c2d 3836 322e 3631 2032 3639  0.24,-862.61 269\n+00013230: 2e37 322c 2d37 3731 2e32 3120 3331 352e  .72,-771.21 315.\n+00013240: 3931 2c2d 3730 372e 3537 2034 3138 2e31  91,-707.57 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967.95\n+00013330: 2c2d 3432 312e 3633 222f 3e0a 3c2f 673e  ,-421.63\"/>.</g>\n+00013340: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00013350: 5f67 726f 6d61 6373 5f66 6674 2623 3435  _gromacs_fft&#45\n+00013360: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00013370: 6772 6f6d 6163 735f 6770 755f 7574 696c  gromacs_gpu_util\n+00013380: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467  s -->.<g id=\"edg\n+00013390: 6531 3035 2220 636c 6173 733d 2265 6467  e105\" class=\"edg\n+000133a0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+000133b0: 655f 7372 635f 6772 6f6d 6163 735f 6666  e_src_gromacs_ff\n+000133c0: 7426 2334 353b 2667 743b 6d6f 6475 6c65  t&#45;&gt;module\n+000133d0: 5f73 7263 5f67 726f 6d61 6373 5f67 7075  _src_gromacs_gpu\n+000133e0: 5f75 7469 6c73 3c2f 7469 746c 653e 0a3c  _utils</title>.<\n+000133f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00013400: 2073 7472 6f6b 653d 2223 3238 3266 6363   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\n+000134f0: 3630 372e 3132 2c2d 3335 332e 3838 2037  607.12,-353.88 7\n+00013500: 3234 2e36 382c 2d33 3435 2e36 3720 3739  24.68,-345.67 79\n+00013510: 302e 3139 2c2d 3334 342e 3433 222f 3e0a  0.19,-344.43\"/>.\n+00013520: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+00013530: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n+00013540: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n+00013550: 2237 3930 2e32 392c 2d33 3437 2e39 3320  \"790.29,-347.93 \n+00013560: 3830 302e 3234 2c2d 3334 342e 3239 2037  800.24,-344.29 7\n+00013570: 3930 2e31 392c 2d33 3430 2e39 3320 3739  90.19,-340.93 79\n+00013580: 302e 3239 2c2d 3334 372e 3933 222f 3e0a  0.29,-347.93\"/>.\n+00013590: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+000135a0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6174  _src_gromacs_mat\n+000135b0: 6820 2d2d 3e0a 3c67 2069 643d 226e 6f64  h -->.<g id=\"nod\n+000135c0: 6532 3822 2063 6c61 7373 3d22 6e6f 6465  e28\" class=\"node\n+000135d0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+000135e0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6174  _src_gromacs_mat\n+000135f0: 683c 2f74 6974 6c65 3e0a 3c65 6c6c 6970  h</title>.<ellip\n+00013600: 7365 2066 696c 6c3d 2223 6266 6266 6266  se fill=\"#bfbfbf\n+00013610: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n+00013620: 2063 783d 2236 362e 3931 2220 6379 3d22   cx=\"66.91\" cy=\"\n+00013630: 2d31 3535 2e31 3822 2072 783d 2232 3722  -155.18\" rx=\"27\"\n+00013640: 2072 793d 2231 332e 3337 222f 3e0a 3c74   ry=\"13.37\"/>.<t\n+00013650: 6578 7420 7465 7874 2d61 6e63 686f 723d  ext text-anchor=\n+00013660: 226d 6964 646c 6522 2078 3d22 3636 2e39  \"middle\" x=\"66.9\n+00013670: 3122 2079 3d22 2d31 3532 2e36 3822 2066  1\" y=\"-152.68\" f\n+00013680: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565  ont-family=\"Free\n+00013690: 5361 6e73 2220 666f 6e74 2d73 697a 653d  Sans\" font-size=\n+000136a0: 2231 302e 3030 223e 6d61 7468 3c2f 7465  \"10.00\">math</te\n+000136b0: 7874 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  xt>.</g>.<!-- mo\n+000136c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000136d0: 5f6d 6174 6826 2334 353b 2667 743b 6d6f  _math&#45;&gt;mo\n+000136e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000136f0: 5f6d 6473 7061 6e20 2d2d 3e0a 3c67 2069  _mdspan -->.<g i\n+00013700: 643d 2265 6467 6531 3037 2220 636c 6173  d=\"edge107\" clas\n+00013710: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+00013720: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00013730: 6163 735f 6d61 7468 2623 3435 3b26 6774  acs_math&#45;&gt\n+00013740: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00013750: 6163 735f 6d64 7370 616e 3c2f 7469 746c  acs_mdspan</titl\n+00013760: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+00013770: 6f6e 6522 2073 7472 6f6b 653d 2272 6564  one\" stroke=\"red\n+00013780: 2220 643d 224d 3838 2e39 312c 2d31 3436  \" d=\"M88.91,-146\n+00013790: 2e39 3943 3935 2e30 322c 2d31 3435 2e31  .99C95.02,-145.1\n+000137a0: 3420 3130 312e 3639 2c2d 3134 332e 3234  4 101.69,-143.24\n+000137b0: 2031 3037 2e39 312c 2d31 3431 2e37 3420   107.91,-141.74 \n+000137c0: 3138 362e 3236 2c2d 3132 322e 3832 2032  186.26,-122.82 2\n+000137d0: 3739 2e31 342c 2d31 3037 2e35 3520 3333  79.14,-107.55 33\n+000137e0: 322e 3134 2c2d 3939 2e35 3122 2f3e 0a3c  2.14,-99.51\"/>.<\n+000137f0: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265  polygon fill=\"re\n+00013800: 6422 2073 7472 6f6b 653d 2272 6564 2220  d\" stroke=\"red\" \n+00013810: 706f 696e 7473 3d22 3333 322e 3832 2c2d  points=\"332.82,-\n+00013820: 3130 322e 3935 2033 3432 2e31 392c 2d39  102.95 342.19,-9\n+00013830: 3820 3333 312e 3738 2c2d 3936 2e30 3320  8 331.78,-96.03 \n+00013840: 3333 322e 3832 2c2d 3130 322e 3935 222f  332.82,-102.95\"/\n+00013850: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00013860: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64  le_src_gromacs_d\n+00013870: 6f6d 6465 6326 2334 353b 2667 743b 6d6f  omdec&#45;&gt;mo\n+00013880: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00013890: 5f6d 6472 756e 7574 696c 6974 7920 2d2d  _mdrunutility --\n+000138a0: 3e0a 3c67 2069 643d 2265 6467 6531 3132  >.<g id=\"edge112\n+000138b0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+000138c0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+000138d0: 635f 6772 6f6d 6163 735f 646f 6d64 6563  c_gromacs_domdec\n+000138e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+000138f0: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n+00013900: 6e75 7469 6c69 7479 3c2f 7469 746c 653e  nutility</title>\n+00013910: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+00013920: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n+00013930: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n+00013940: 7272 6179 3d22 352c 3222 2064 3d22 4d31  rray=\"5,2\" d=\"M1\n+00013950: 3130 352e 382c 2d35 3936 2e37 3643 3132  105.8,-596.76C12\n+00013960: 3131 2e32 362c 2d35 3939 2e32 3820 3135  11.26,-599.28 15\n+00013970: 3237 2e38 332c 2d36 3134 2e36 3620 3137  27.83,-614.66 17\n+00013980: 3638 2e39 312c 2d37 3037 2e35 3720 3138  68.91,-707.57 18\n+00013990: 3233 2e39 392c 2d37 3238 2e38 2031 3833  23.99,-728.8 183\n+000139a0: 382e 3131 2c2d 3733 352e 3820 3138 3835  8.11,-735.8 1885\n+000139b0: 2e39 312c 2d37 3730 2e34 3420 3139 3434  .91,-770.44 1944\n+000139c0: 2e31 382c 2d38 3132 2e36 3720 3139 3635  .18,-812.67 1965\n+000139d0: 2e35 382c 2d38 3237 2e37 3720 3139 3837  .58,-827.77 1987\n+000139e0: 2e39 312c 2d38 3936 2e31 3820 3139 3936  .91,-896.18 1996\n+000139f0: 2e36 332c 2d39 3232 2e39 3120 3139 3933  .63,-922.91 1993\n+00013a00: 2e33 352c 2d39 3330 2e39 3820 3139 3934  .35,-930.98 1994\n+00013a10: 2e39 312c 2d39 3539 2e30 3520 3139 3937  .91,-959.05 1997\n+00013a20: 2e31 342c 2d39 3939 2e32 3320 3139 3936  .14,-999.23 1996\n+00013a30: 2e39 352c 2d31 3031 312e 3038 2031 3938  .95,-1011.08 198\n+00013a40: 322e 3931 2c2d 3130 3438 2e37 3920 3139  2.91,-1048.79 19\n+00013a50: 3739 2e34 312c 2d31 3035 382e 3138 2031  79.41,-1058.18 1\n+00013a60: 3937 342e 3139 2c2d 3130 3637 2e38 3720  974.19,-1067.87 \n+00013a70: 3139 3639 2e31 392c 2d31 3037 362e 3039  1969.19,-1076.09\n+00013a80: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+00013a90: 6c3d 2223 3238 3266 6363 2220 7374 726f  l=\"#282fcc\" stro\n+00013aa0: 6b65 3d22 2332 3832 6663 6322 2070 6f69  ke=\"#282fcc\" poi\n+00013ab0: 6e74 733d 2231 3936 362e 3136 2c2d 3130  nts=\"1966.16,-10\n+00013ac0: 3734 2e33 3420 3139 3633 2e37 362c 2d31  74.34 1963.76,-1\n+00013ad0: 3038 342e 3636 2031 3937 322e 3037 2c2d  084.66 1972.07,-\n+00013ae0: 3130 3738 2e30 3920 3139 3636 2e31 362c  1078.09 1966.16,\n+00013af0: 2d31 3037 342e 3334 222f 3e0a 3c2f 673e  -1074.34\"/>.</g>\n+00013b00: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00013b10: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326  _gromacs_domdec&\n+00013b20: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00013b30: 7263 5f67 726f 6d61 6373 5f6d 6474 7970  rc_gromacs_mdtyp\n+00013b40: 6573 202d 2d3e 0a3c 6720 6964 3d22 6564  es -->.<g id=\"ed\n+00013b50: 6765 3131 3322 2063 6c61 7373 3d22 6564  ge113\" class=\"ed\n+00013b60: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+00013b70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64  le_src_gromacs_d\n+00013b80: 6f6d 6465 6326 2334 353b 2667 743b 6d6f  omdec&#45;&gt;mo\n+00013b90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00013ba0: 5f6d 6474 7970 6573 3c2f 7469 746c 653e  _mdtypes</title>\n+00013bb0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+00013bc0: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n+00013bd0: 6266 2220 643d 224d 3130 3732 2e30 372c  bf\" d=\"M1072.07,\n+00013be0: 2d36 3038 2e38 3743 3130 3730 2e39 372c  -608.87C1070.97,\n+00013bf0: 2d36 3334 2e31 3520 3130 3632 2e37 322c  -634.15 1062.72,\n+00013c00: 2d36 3932 2e32 3220 3130 3832 2e39 312c  -692.22 1082.91,\n+00013c10: 2d37 3334 2e34 3420 3130 3938 2e39 322c  -734.44 1098.92,\n+00013c20: 2d37 3637 2e39 3420 3131 3038 2e30 372c  -767.94 1108.07,\n+00013c30: 2d37 3735 2e32 3220 3131 3337 2e39 312c  -775.22 1137.91,\n+00013c40: 2d37 3937 2e33 3120 3131 3639 2e32 342c  -797.31 1169.24,\n+00013c50: 2d38 3230 2e35 3220 3131 3932 2e30 312c  -820.52 1192.01,\n+00013c60: 2d38 3034 2e31 3620 3132 3137 2e39 312c  -804.16 1217.91,\n+00013c70: 2d38 3333 2e33 3120 3132 3635 2e31 332c  -833.31 1265.13,\n+00013c80: 2d38 3836 2e34 3720 3132 3230 2e38 362c  -886.47 1220.86,\n+00013c90: 2d39 3330 2e39 3120 3132 3635 2e39 312c  -930.91 1265.91,\n+00013ca0: 2d39 3835 2e39 3220 3132 3738 2e33 382c  -985.92 1278.38,\n+00013cb0: 2d31 3030 312e 3135 2031 3239 362e 3935  -1001.15 1296.95\n+00013cc0: 2c2d 3130 3132 2e33 3620 3133 3133 2e30  ,-1012.36 1313.0\n+00013cd0: 362c 2d31 3032 302e 3134 222f 3e0a 3c70  6,-1020.14\"/>.<p\n+00013ce0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n+00013cf0: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n+00013d00: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n+00013d10: 3331 312e 3634 2c2d 3130 3233 2e33 3420  311.64,-1023.34 \n+00013d20: 3133 3232 2e31 392c 2d31 3032 342e 3333  1322.19,-1024.33\n+00013d30: 2031 3331 342e 3536 2c2d 3130 3136 2e39   1314.56,-1016.9\n+00013d40: 3820 3133 3131 2e36 342c 2d31 3032 332e  8 1311.64,-1023.\n+00013d50: 3334 222f 3e0a 3c2f 673e 0a3c 212d 2d20  34\"/>.</g>.<!-- \n+00013d60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00013d70: 6373 5f64 6f6d 6465 6326 2334 353b 2667  cs_domdec&#45;&g\n+00013d80: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00013d90: 6d61 6373 5f67 6d78 6c69 6220 2d2d 3e0a  macs_gmxlib -->.\n+00013da0: 3c67 2069 643d 2265 6467 6531 3039 2220  <g id=\"edge109\" \n+00013db0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+00013dc0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00013dd0: 6772 6f6d 6163 735f 646f 6d64 6563 2623  gromacs_domdec&#\n+00013de0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00013df0: 635f 6772 6f6d 6163 735f 676d 786c 6962  c_gromacs_gmxlib\n+00013e00: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00013e10: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00013e20: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n+00013e30: 3130 3837 2e35 372c 2d35 3833 2e33 3243  1087.57,-583.32C\n+00013e40: 3131 3033 2e33 392c 2d35 3733 2e35 3120  1103.39,-573.51 \n+00013e50: 3131 3237 2e32 312c 2d35 3538 2e37 3320  1127.21,-558.73 \n+00013e60: 3131 3437 2e39 312c 2d35 3435 2e38 3320  1147.91,-545.83 \n+00013e70: 3131 3637 2e30 342c 2d35 3333 2e39 3220  1167.04,-533.92 \n+00013e80: 3131 3730 2e35 362c 2d35 3238 2e36 3520  1170.56,-528.65 \n+00013e90: 3131 3930 2e39 312c 2d35 3138 2e39 3620  1190.91,-518.96 \n+00013ea0: 3132 3335 2e34 352c 2d34 3937 2e37 3520  1235.45,-497.75 \n+00013eb0: 3132 3630 2e31 382c 2d35 3136 2e39 3820  1260.18,-516.98 \n+00013ec0: 3132 3935 2e39 312c 2d34 3832 2e39 3620  1295.91,-482.96 \n+00013ed0: 3133 3232 2c2d 3435 382e 3131 2031 3332  1322,-458.11 132\n+00013ee0: 352e 3931 2c2d 3434 332e 3638 2031 3332  5.91,-443.68 132\n+00013ef0: 352e 3931 2c2d 3430 372e 3636 2031 3332  5.91,-407.66 132\n+00013f00: 352e 3931 2c2d 3430 372e 3636 2031 3332  5.91,-407.66 132\n+00013f10: 352e 3931 2c2d 3430 372e 3636 2031 3332  5.91,-407.66 132\n+00013f20: 352e 3931 2c2d 3334 322e 3739 2031 3332  5.91,-342.79 132\n+00013f30: 352e 3931 2c2d 3233 312e 3336 2031 3438  5.91,-231.36 148\n+00013f40: 332e 3436 2c2d 3138 312e 3238 2031 3535  3.46,-181.28 155\n+00013f50: 372e 3836 2c2d 3136 332e 3834 222f 3e0a  7.86,-163.84\"/>.\n+00013f60: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+00013f70: 6266 6266 6266 2220 7374 726f 6b65 3d22  bfbfbf\" 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cs_domdec&#45;&g\n+00014060: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00014070: 6d61 6373 5f6e 626e 786d 3c2f 7469 746c  macs_nbnxm</titl\n+00014080: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n+00014090: 6f6e 6522 2073 7472 6f6b 653d 2272 6564  one\" stroke=\"red\n+000140a0: 2220 643d 224d 3130 3333 2e37 332c 2d35  \" d=\"M1033.73,-5\n+000140b0: 3934 2e37 3343 3937 372e 3933 2c2d 3539  94.73C977.93,-59\n+000140c0: 342e 3236 2038 3639 2e37 342c 2d35 3837  4.26 869.74,-587\n+000140d0: 2e37 3820 3739 302e 3931 2c2d 3534 352e  .78 790.91,-545.\n+000140e0: 3833 2037 3536 2e35 342c 2d35 3237 2e35  83 756.54,-527.5\n+000140f0: 3420 3734 372e 362c 2d35 3137 2e36 3420  4 747.6,-517.64 \n+00014100: 3732 392e 3931 2c2d 3438 322e 3936 2036  729.91,-482.96 6\n+00014110: 3939 2e38 372c 2d34 3234 2e30 3720 3730  99.87,-424.07 70\n+00014120: 392e 3332 2c2d 3334 322e 3431 2037 3139  9.32,-342.41 719\n+00014130: 2e39 332c 2d33 3033 2e38 222f 3e0a 3c70  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itle>module_src_\n+00014220: 6772 6f6d 6163 735f 646f 6d64 6563 2623  gromacs_domdec&#\n+00014230: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00014240: 635f 6772 6f6d 6163 735f 6861 7264 7761  c_gromacs_hardwa\n+00014250: 7265 3c2f 7469 746c 653e 0a3c 7061 7468  re</title>.<path\n+00014260: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00014270: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n+00014280: 224d 3130 3537 2e33 362c 2d35 3832 2e33  \"M1057.36,-582.3\n+00014290: 3943 3130 3338 2e34 2c2d 3536 332e 3438  9C1038.4,-563.48\n+000142a0: 2031 3030 332e 3236 2c2d 3532 342e 3431   1003.26,-524.41\n+000142b0: 2039 3839 2e39 312c 2d34 3832 2e39 3620   989.91,-482.96 \n+000142c0: 3938 342e 3235 2c2d 3436 352e 3339 2039  984.25,-465.39 9\n+000142d0: 3839 2e33 352c 2d34 3434 2e38 3620 3939  89.35,-444.86 99\n+000142e0: 352e 3236 2c2d 3432 392e 3637 222f 3e0a  5.26,-429.67\"/>.\n+000142f0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon 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module_\n+000145a0: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n+000145b0: 6563 2623 3435 3b26 6774 3b6d 6f64 756c  ec&#45;&gt;modul\n+000145c0: 655f 7372 635f 6772 6f6d 6163 735f 6577  e_src_gromacs_ew\n+000145d0: 616c 6420 2d2d 3e0a 3c67 2069 643d 2265  ald -->.<g id=\"e\n+000145e0: 6467 6531 3038 2220 636c 6173 733d 2265  dge108\" class=\"e\n+000145f0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+00014600: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00014610: 646f 6d64 6563 2623 3435 3b26 6774 3b6d  domdec&#45;&gt;m\n+00014620: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00014630: 735f 6577 616c 643c 2f74 6974 6c65 3e0a  s_ewald</title>.\n+00014640: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+00014650: 2220 7374 726f 6b65 3d22 7265 6422 2064  \" stroke=\"red\" d\n+00014660: 3d22 4d31 3034 302e 3131 2c2d 3630 322e  =\"M1040.11,-602.\n+00014670: 3938 4339 3535 2e35 342c 2d36 3230 2e39  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840.64,-35\n+00014ae0: 372e 3336 2038 3337 2e30 312c 2d33 3637  7.36 837.01,-367\n+00014af0: 2e33 3220 3834 342e 3031 2c2d 3336 372e  .32 844.01,-367.\n+00014b00: 3431 222f 3e0a 3c2f 673e 0a3c 212d 2d20  41\"/>.</g>.<!-- \n+00014b10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00014b20: 6373 5f64 6f6d 6465 6326 2334 353b 2667  cs_domdec&#45;&g\n+00014b30: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00014b40: 6d61 6373 5f6c 6973 7465 645f 666f 7263  macs_listed_forc\n+00014b50: 6573 202d 2d3e 0a3c 6720 6964 3d22 6564  es -->.<g id=\"ed\n+00014b60: 6765 3131 3822 2063 6c61 7373 3d22 6564  ge118\" class=\"ed\n+00014b70: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+00014b80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64  le_src_gromacs_d\n+00014b90: 6f6d 6465 6326 2334 353b 2667 743b 6d6f  omdec&#45;&gt;mo\n+00014ba0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00014bb0: 5f6c 6973 7465 645f 666f 7263 6573 3c2f  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680.3\n+00014ca0: 382c 2d32 3538 2e33 3120 3638 332e 3334  8,-258.31 683.34\n+00014cb0: 2c2d 3234 382e 3531 2036 3836 2e39 332c  ,-248.51 686.93,\n+00014cc0: 2d32 3430 2e31 3522 2f3e 0a3c 706f 6c79  -240.15\"/>.<poly\n+00014cd0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663  gon fill=\"#282fc\n+00014ce0: 6322 2073 7472 6f6b 653d 2223 3238 3266  c\" stroke=\"#282f\n+00014cf0: 6363 2220 706f 696e 7473 3d22 3639 302e  cc\" points=\"690.\n+00014d00: 312c 2d32 3431 2e36 3320 3639 312e 3339  1,-241.63 691.39\n+00014d10: 2c2d 3233 312e 3132 2036 3833 2e38 332c  ,-231.12 683.83,\n+00014d20: 2d32 3338 2e35 3420 3639 302e 312c 2d32  -238.54 690.1,-2\n+00014d30: 3431 2e36 3322 2f3e 0a3c 2f67 3e0a 3c21  41.63\"/>.</g>.<!\n+00014d40: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00014d50: 6f6d 6163 735f 646f 6d64 6563 2623 3435  omacs_domdec&#45\n+00014d60: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00014d70: 6772 6f6d 6163 735f 6d64 7275 6e20 2d2d  gromacs_mdrun --\n+00014d80: 3e0a 3c67 2069 643d 2265 6467 6531 3137  >.<g id=\"edge117\n+00014d90: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+00014da0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+00014db0: 635f 6772 6f6d 6163 735f 646f 6d64 6563  c_gromacs_domdec\n+00014dc0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00014dd0: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n+00014de0: 6e3c 2f74 6974 6c65 3e0a 3c70 6174 6820  n</title>.<path \n+00014df0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00014e00: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n+00014e10: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n+00014e20: 2c32 2220 643d 224d 3130 3934 2e38 312c  ,2\" d=\"M1094.81,\n+00014e30: 2d35 3835 2e34 4331 3130 302e 312c 2d35  -585.4C1100.1,-5\n+00014e40: 3834 2e31 3120 3131 3035 2e36 342c 2d35  84.11 1105.64,-5\n+00014e50: 3832 2e38 3820 3131 3130 2e39 312c 2d35  82.88 1110.91,-5\n+00014e60: 3831 2e38 3320 3132 3135 2e33 322c 2d35  81.83 1215.32,-5\n+00014e70: 3631 2e30 3920 3133 3430 2e32 352c 2d35  61.09 1340.25,-5\n+00014e80: 3434 2e37 3920 3134 3033 2e34 2c2d 3533  44.79 1403.4,-53\n+00014e90: 372e 3532 222f 3e0a 3c70 6f6c 7967 6f6e  7.52\"/>.<polygon\n+00014ea0: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n+00014eb0: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00014ec0: 2070 6f69 6e74 733d 2231 3430 342e 3138   points=\"1404.18\n+00014ed0: 2c2d 3534 302e 3935 2031 3431 332e 3732  ,-540.95 1413.72\n+00014ee0: 2c2d 3533 362e 3335 2031 3430 332e 3339  ,-536.35 1403.39\n+00014ef0: 2c2d 3533 3420 3134 3034 2e31 382c 2d35  ,-534 1404.18,-5\n+00014f00: 3430 2e39 3522 2f3e 0a3c 2f67 3e0a 3c21  40.95\"/>.</g>.<!\n+00014f10: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00014f20: 6f6d 6163 735f 646f 6d64 6563 2623 3435  omacs_domdec&#45\n+00014f30: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00014f40: 6772 6f6d 6163 735f 6d64 6c69 6220 2d2d  gromacs_mdlib --\n+00014f50: 3e0a 3c67 2069 643d 2265 6467 6531 3131  >.<g id=\"edge111\n+00014f60: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+00014f70: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+00014f80: 635f 6772 6f6d 6163 735f 646f 6d64 6563  c_gromacs_domdec\n+00014f90: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00014fa0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n+00014fb0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n+00014fc0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00014fd0: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n+00014fe0: 4d31 3036 322e 3832 2c2d 3630 382e 3732  M1062.82,-608.72\n+00014ff0: 4331 3035 332e 3339 2c2d 3631 382e 3333  C1053.39,-618.33\n+00015000: 2031 3033 372e 3933 2c2d 3633 322e 3038   1037.93,-632.08\n+00015010: 2031 3032 342e 3931 2c2d 3634 342e 3720   1024.91,-644.7 \n+00015020: 3939 372e 3138 2c2d 3637 312e 3539 2039  997.18,-671.59 9\n+00015030: 3930 2e31 352c 2d36 3738 2e33 3420 3936  90.15,-678.34 96\n+00015040: 342e 3931 2c2d 3730 372e 3537 2039 3331  4.91,-707.57 931\n+00015050: 2e38 352c 2d37 3435 2e38 3620 3932 372e  .85,-745.86 927.\n+00015060: 3836 2c2d 3735 382e 3933 2038 3934 2e39  86,-758.93 894.9\n+00015070: 312c 2d37 3937 2e33 3120 3836 352e 3232  1,-797.31 865.22\n+00015080: 2c2d 3833 312e 3920 3832 382e 3135 2c2d  ,-831.9 828.15,-\n+00015090: 3837 302e 3133 2038 3034 2e32 332c 2d38  870.13 804.23,-8\n+000150a0: 3931 2e35 3822 2f3e 0a3c 706f 6c79 676f  91.58\"/>.<polygo\n+000150b0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n+000150c0: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+000150d0: 2220 706f 696e 7473 3d22 3830 312e 3839  \" points=\"801.89\n+000150e0: 2c2d 3838 382e 3937 2037 3936 2e36 352c  ,-888.97 796.65,\n+000150f0: 2d38 3938 2e31 3820 3830 362e 3439 2c2d  -898.18 806.49,-\n+00015100: 3839 342e 3235 2038 3031 2e38 392c 2d38  894.25 801.89,-8\n+00015110: 3838 2e39 3722 2f3e 0a3c 2f67 3e0a 3c21  88.97\"/>.</g>.<!\n+00015120: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+00015130: 6f6d 6163 735f 6669 6c65 696f 2623 3435  omacs_fileio&#45\n+00015140: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+00015150: 6772 6f6d 6163 735f 6d64 7275 6e75 7469  gromacs_mdrunuti\n+00015160: 6c69 7479 202d 2d3e 0a3c 6720 6964 3d22  lity -->.<g id=\"\n+00015170: 6564 6765 3132 3622 2063 6c61 7373 3d22  edge126\" class=\"\n+00015180: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00015190: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000151a0: 5f66 696c 6569 6f26 2334 353b 2667 743b  _fileio&#45;&gt;\n+000151b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000151c0: 6373 5f6d 6472 756e 7574 696c 6974 793c  cs_mdrunutility<\n+000151d0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+000151e0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+000151f0: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+00015200: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n+00015210: 2220 643d 224d 3131 3931 2e39 322c 2d37  \" d=\"M1191.92,-7\n+00015220: 3835 2e31 4331 3238 352e 3734 2c2d 3738  85.1C1285.74,-78\n+00015230: 362e 3237 2031 3539 352e 3239 2c2d 3739  6.27 1595.29,-79\n+00015240: 332e 3138 2031 3638 332e 3931 2c2d 3833  3.18 1683.91,-83\n+00015250: 332e 3331 2031 3734 372e 3538 2c2d 3836  3.31 1747.58,-86\n+00015260: 322e 3135 2031 3839 342e 3234 2c2d 3130  2.15 1894.24,-10\n+00015270: 3230 2e31 3820 3139 3430 2e37 372c 2d31  20.18 1940.77,-1\n+00015280: 3037 362e 3933 222f 3e0a 3c70 6f6c 7967  076.93\"/>.<polyg\n+00015290: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n+000152a0: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+000152b0: 6322 2070 6f69 6e74 733d 2231 3933 382e  c\" points=\"1938.\n+000152c0: 3132 2c2d 3130 3739 2e32 3320 3139 3437  12,-1079.23 1947\n+000152d0: 2e31 312c 2d31 3038 342e 3834 2031 3934  .11,-1084.84 194\n+000152e0: 332e 3538 2c2d 3130 3734 2e38 3520 3139  3.58,-1074.85 19\n+000152f0: 3338 2e31 322c 2d31 3037 392e 3233 222f  38.12,-1079.23\"/\n+00015300: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+00015310: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66  le_src_gromacs_f\n+00015320: 696c 6569 6f26 2334 353b 2667 743b 6d6f  ileio&#45;&gt;mo\n+00015330: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00015340: 5f6d 6474 7970 6573 202d 2d3e 0a3c 6720  _mdtypes -->.<g \n+00015350: 6964 3d22 6564 6765 3132 3122 2063 6c61  id=\"edge121\" cla\n+00015360: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+00015370: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+00015380: 6d61 6373 5f66 696c 6569 6f26 2334 353b  macs_fileio&#45;\n+00015390: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+000153a0: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f  romacs_mdtypes</\n+000153b0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+000153c0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+000153d0: 2272 6564 2220 643d 224d 3131 3833 2e32  \"red\" d=\"M1183.2\n+000153e0: 342c 2d37 3933 2e39 3743 3131 3935 2e35  4,-793.97C1195.5\n+000153f0: 352c 2d38 3032 2e38 3620 3132 3130 2e32  5,-802.86 1210.2\n+00015400: 2c2d 3831 372e 3335 2031 3231 372e 3931  ,-817.35 1217.91\n+00015410: 2c2d 3833 332e 3331 2031 3234 372e 382c  ,-833.31 1247.8,\n+00015420: 2d38 3935 2e32 2031 3230 302e 3732 2c2d  -895.2 1200.72,-\n+00015430: 3933 312e 3636 2031 3234 322e 3931 2c2d  931.66 1242.91,-\n+00015440: 3938 352e 3932 2031 3235 382e 3132 2c2d  985.92 1258.12,-\n+00015450: 3130 3035 2e34 3820 3132 3832 2e38 342c  1005.48 1282.84,\n+00015460: 2d31 3031 372e 3320 3133 3034 2e32 322c  -1017.3 1304.22,\n+00015470: 2d31 3032 342e 3335 222f 3e0a 3c70 6f6c  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e\">.<title>modul\n+00015560: 655f 7372 635f 6772 6f6d 6163 735f 6669  e_src_gromacs_fi\n+00015570: 6c65 696f 2623 3435 3b26 6774 3b6d 6f64  leio&#45;&gt;mod\n+00015580: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00015590: 6d64 7370 616e 3c2f 7469 746c 653e 0a3c  mdspan</title>.<\n+000155a0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+000155b0: 2073 7472 6f6b 653d 2272 6564 2220 643d   stroke=\"red\" d=\n+000155c0: 224d 3131 3339 2e30 352c 2d37 3739 2e37  \"M1139.05,-779.7\n+000155d0: 3943 3130 3739 2e30 362c 2d37 3732 2e34  9C1079.06,-772.4\n+000155e0: 2039 3331 2e39 392c 2d37 3532 2e39 3420   931.99,-752.94 \n+000155f0: 3838 352e 3931 2c2d 3733 342e 3434 2038  885.91,-734.44 8\n+00015600: 3636 2e30 332c 2d37 3236 2e34 3620 3836  66.03,-726.46 86\n+00015610: 352e 382c 2d37 3135 2e35 2038 3435 2e39  5.8,-715.5 845.9\n+00015620: 312c 2d37 3037 2e35 3720 3735 362e 3733  1,-707.57 756.73\n+00015630: 2c2d 3637 322e 3031 2037 3230 2e39 332c  ,-672.01 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369.14,-105.\n+00015720: 3634 2033 3631 2e39 392c 2d31 3133 2e34  64 361.99,-113.4\n+00015730: 3620 3336 382e 3433 2c2d 3131 362e 3231  6 368.43,-116.21\n+00015740: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+00015750: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00015760: 5f66 696c 6569 6f26 2334 353b 2667 743b  _fileio&#45;&gt;\n+00015770: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00015780: 6373 5f67 6d78 6c69 6220 2d2d 3e0a 3c67  cs_gmxlib -->.<g\n+00015790: 2069 643d 2265 6467 6531 3235 2220 636c   id=\"edge125\" cl\n+000157a0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+000157b0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+000157c0: 6f6d 6163 735f 6669 6c65 696f 2623 3435  omacs_fileio&#45\n+000157d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+000157e0: 6772 6f6d 6163 735f 676d 786c 6962 3c2f  gromacs_gmxlib</\n+000157f0: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00015800: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00015810: 2223 6266 6266 6266 2220 643d 224d 3131  \"#bfbfbf\" d=\"M11\n+00015820: 3932 2e30 392c 2d37 3832 2e32 3143 3132  92.09,-782.21C12\n+00015830: 3437 2e33 392c 2d37 3830 2e31 2031 3337  47.39,-780.1 137\n+00015840: 362e 3238 2c2d 3737 312e 3239 2031 3437  6.28,-771.29 147\n+00015850: 362e 3931 2c2d 3733 342e 3434 2031 3530  6.91,-734.44 150\n+00015860: 322e 3235 2c2d 3732 352e 3136 2031 3836  2.25,-725.16 186\n+00015870: 392e 342c 2d35 3039 2e30 3420 3138 3833  9.4,-509.04 1883\n+00015880: 2e39 312c 2d34 3832 2e39 3620 3139 3531  .91,-482.96 1951\n+00015890: 2e34 332c 2d33 3631 2e36 2031 3836 302e  .43,-361.6 1860.\n+000158a0: 3134 2c2d 3237 372e 3438 2031 3734 312e  14,-277.48 1741.\n+000158b0: 3931 2c2d 3230 342e 3631 2031 3730 382e  91,-204.61 1708.\n+000158c0: 3331 2c2d 3138 332e 3920 3136 3634 2e38  31,-183.9 1664.8\n+000158d0: 342c 2d31 3730 2e39 3620 3136 3334 2e31  4,-170.96 1634.1\n+000158e0: 2c2d 3136 332e 3732 222f 3e0a 3c70 6f6c  ,-163.72\"/>.<pol\n+000158f0: 7967 6f6e 2066 696c 6c3d 2223 6266 6266  ygon fill=\"#bfbf\n+00015900: 6266 2220 7374 726f 6b65 3d22 2362 6662  bf\" stroke=\"#bfb\n+00015910: 6662 6622 2070 6f69 6e74 733d 2231 3633  fbf\" points=\"163\n+00015920: 342e 3732 2c2d 3136 302e 3237 2031 3632  4.72,-160.27 162\n+00015930: 342e 322c 2d31 3631 2e34 3820 3136 3333  4.2,-161.48 1633\n+00015940: 2e31 382c 2d31 3637 2e31 2031 3633 342e  .18,-167.1 1634.\n+00015950: 3732 2c2d 3136 302e 3237 222f 3e0a 3c2f  72,-160.27\"/>.</\n+00015960: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00015970: 7263 5f67 726f 6d61 6373 5f66 696c 6569  rc_gromacs_filei\n+00015980: 6f26 2334 353b 2667 743b 6d6f 6475 6c65  o&#45;&gt;module\n+00015990: 5f73 7263 5f67 726f 6d61 6373 5f74 7261  _src_gromacs_tra\n+000159a0: 6a65 6374 6f72 7920 2d2d 3e0a 3c67 2069  jectory -->.<g i\n+000159b0: 643d 2265 6467 6531 3234 2220 636c 6173  d=\"edge124\" clas\n+000159c0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+000159d0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+000159e0: 6163 735f 6669 6c65 696f 2623 3435 3b26  acs_fileio&#45;&\n+000159f0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00015a00: 6f6d 6163 735f 7472 616a 6563 746f 7279  omacs_trajectory\n+00015a10: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00015a20: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00015a30: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n+00015a40: 3131 3339 2e33 2c2d 3737 392e 3532 4331  1139.3,-779.52C1\n+00015a50: 3036 342e 3432 2c2d 3736 392e 3639 2038  064.42,-769.69 8\n+00015a60: 3435 2e30 342c 2d37 3430 2e39 3120 3734  45.04,-740.91 74\n+00015a70: 382c 2d37 3238 2e31 3822 2f3e 0a3c 706f  8,-728.18\"/>.<po\n+00015a80: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n+00015a90: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n+00015aa0: 6266 6266 2220 706f 696e 7473 3d22 3734  bfbf\" points=\"74\n+00015ab0: 382e 3236 2c2d 3732 342e 3639 2037 3337  8.26,-724.69 737\n+00015ac0: 2e38 392c 2d37 3236 2e38 3620 3734 372e  .89,-726.86 747.\n+00015ad0: 3335 2c2d 3733 312e 3633 2037 3438 2e32  35,-731.63 748.2\n+00015ae0: 362c 2d37 3234 2e36 3922 2f3e 0a3c 2f67  6,-724.69\"/>.</g\n+00015af0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00015b00: 635f 6772 6f6d 6163 735f 636f 6d70 6174  c_gromacs_compat\n+00015b10: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465   -->.<g id=\"node\n+00015b20: 3337 2220 636c 6173 733d 226e 6f64 6522  37\" class=\"node\"\n+00015b30: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00015b40: 7372 635f 6772 6f6d 6163 735f 636f 6d70  src_gromacs_comp\n+00015b50: 6174 3c2f 7469 746c 653e 0a3c 656c 6c69  at</title>.<elli\n+00015b60: 7073 6520 6669 6c6c 3d22 2362 6662 6662  pse fill=\"#bfbfb\n+00015b70: 6622 2073 7472 6f6b 653d 2262 6c61 636b  f\" stroke=\"black\n+00015b80: 2220 6378 3d22 3931 332e 3931 2220 6379  \" cx=\"913.91\" cy\n+00015b90: 3d22 2d34 3036 2e36 3622 2072 783d 2233  =\"-406.66\" rx=\"3\n+00015ba0: 342e 3822 2072 793d 2231 332e 3337 222f  4.8\" ry=\"13.37\"/\n+00015bb0: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63  >.<text text-anc\n+00015bc0: 686f 723d 226d 6964 646c 6522 2078 3d22  hor=\"middle\" x=\"\n+00015bd0: 3931 332e 3931 2220 793d 222d 3430 342e  913.91\" y=\"-404.\n+00015be0: 3136 2220 666f 6e74 2d66 616d 696c 793d  16\" font-family=\n+00015bf0: 2246 7265 6553 616e 7322 2066 6f6e 742d  \"FreeSans\" font-\n+00015c00: 7369 7a65 3d22 3130 2e30 3022 3e63 6f6d  size=\"10.00\">com\n+00015c10: 7061 743c 2f74 6578 743e 0a3c 2f67 3e0a  pat</text>.</g>.\n+00015c20: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+00015c30: 6772 6f6d 6163 735f 6669 6c65 696f 2623  gromacs_fileio&#\n+00015c40: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00015c50: 635f 6772 6f6d 6163 735f 636f 6d70 6174  c_gromacs_compat\n+00015c60: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+00015c70: 3132 3222 2063 6c61 7373 3d22 6564 6765  122\" class=\"edge\n+00015c80: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00015c90: 5f73 7263 5f67 726f 6d61 6373 5f66 696c  _src_gromacs_fil\n+00015ca0: 6569 6f26 2334 353b 2667 743b 6d6f 6475  eio&#45;&gt;modu\n+00015cb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63  le_src_gromacs_c\n+00015cc0: 6f6d 7061 743c 2f74 6974 6c65 3e0a 3c70  ompat</title>.<p\n+00015cd0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00015ce0: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00015cf0: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n+00015d00: 793d 2235 2c32 2220 643d 224d 3131 3430  y=\"5,2\" d=\"M1140\n+00015d10: 2e32 392c 2d37 3738 2e30 3743 3131 3134  .29,-778.07C1114\n+00015d20: 2e36 332c 2d37 3731 2e39 3220 3130 3734  .63,-771.92 1074\n+00015d30: 2e36 342c 2d37 3539 2031 3034 382e 3931  .64,-759 1048.91\n+00015d40: 2c2d 3733 342e 3434 2039 3537 2e35 362c 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class=\n+00015e30: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d  \"node\">.<title>m\n+00015e40: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00015e50: 735f 6d6f 6475 6c61 7273 696d 756c 6174  s_modularsimulat\n+00015e60: 6f72 3c2f 7469 746c 653e 0a3c 6720 6964  or</title>.<g id\n+00015e70: 3d22 615f 6e6f 6465 3430 223e 3c61 2078  =\"a_node40\"><a x\n+00015e80: 6c69 6e6b 3a68 7265 663d 2267 726f 7570  link:href=\"group\n+00015e90: 5f5f 6d6f 6475 6c65 5f5f 6d6f 6475 6c61  __module__modula\n+00015ea0: 7273 696d 756c 6174 6f72 2e78 6874 6d6c  rsimulator.xhtml\n+00015eb0: 2220 7461 7267 6574 3d22 5f74 6f70 2220  \" target=\"_top\" \n+00015ec0: 786c 696e 6b3a 7469 746c 653d 226d 6f64  xlink:title=\"mod\n+00015ed0: 756c 6172 7369 6d75 6c61 746f 7222 3e0a  ularsimulator\">.\n+00015ee0: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223  <ellipse fill=\"#\n+00015ef0: 6535 6363 6666 2220 7374 726f 6b65 3d22  e5ccff\" stroke=\"\n+00015f00: 626c 6163 6b22 2063 783d 2231 3136 342e  black\" cx=\"1164.\n+00015f10: 3931 2220 6379 3d22 2d37 3231 2e30 3122  91\" cy=\"-721.01\"\n+00015f20: 2072 783d 2236 352e 3131 2220 7279 3d22   rx=\"65.11\" ry=\"\n+00015f30: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074  13.37\"/>.<text t\n+00015f40: 6578 742d 616e 6368 6f72 3d22 6d69 6464  ext-anchor=\"midd\n+00015f50: 6c65 2220 783d 2231 3136 342e 3931 2220  le\" x=\"1164.91\" \n+00015f60: 793d 222d 3731 382e 3531 2220 666f 6e74  y=\"-718.51\" font\n+00015f70: 2d66 616d 696c 793d 2246 7265 6553 616e  -family=\"FreeSan\n+00015f80: 7322 2066 6f6e 742d 7369 7a65 3d22 3130  s\" font-size=\"10\n+00015f90: 2e30 3022 3e6d 6f64 756c 6172 7369 6d75  .00\">modularsimu\n+00015fa0: 6c61 746f 723c 2f74 6578 743e 0a3c 2f61  lator</text>.</a\n+00015fb0: 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d  >.</g>.</g>.<!--\n+00015fc0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00015fd0: 6163 735f 6669 6c65 696f 2623 3435 3b26  acs_fileio&#45;&\n+00015fe0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00015ff0: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d  omacs_modularsim\n+00016000: 756c 6174 6f72 202d 2d3e 0a3c 6720 6964  ulator -->.<g id\n+00016010: 3d22 6564 6765 3132 3722 2063 6c61 7373  =\"edge127\" class\n+00016020: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00016030: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00016040: 6373 5f66 696c 6569 6f26 2334 353b 2667  cs_fileio&#45;&g\n+00016050: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00016060: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75  macs_modularsimu\n+00016070: 6c61 746f 723c 2f74 6974 6c65 3e0a 3c70  lator</title>.<p\n+00016080: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00016090: 7374 726f 6b65 3d22 7265 6422 2064 3d22  stroke=\"red\" d=\"\n+000160a0: 4d31 3135 392e 3336 2c2d 3737 302e 3536  M1159.36,-770.56\n+000160b0: 4331 3135 382e 3234 2c2d 3736 332e 3135  C1158.24,-763.15\n+000160c0: 2031 3135 372e 392c 2d37 3533 2e34 3920   1157.9,-753.49 \n+000160d0: 3131 3538 2e33 352c 2d37 3434 2e37 3422  1158.35,-744.74\"\n+000160e0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+000160f0: 3d22 7265 6422 2073 7472 6f6b 653d 2272  =\"red\" stroke=\"r\n+00016100: 6564 2220 706f 696e 7473 3d22 3131 3631  ed\" points=\"1161\n+00016110: 2e38 342c 2d37 3435 2e30 3120 3131 3539  .84,-745.01 1159\n+00016120: 2e33 2c2d 3733 342e 3732 2031 3135 342e  .3,-734.72 1154.\n+00016130: 3837 2c2d 3734 342e 3335 2031 3136 312e  87,-744.35 1161.\n+00016140: 3834 2c2d 3734 352e 3031 222f 3e0a 3c2f  84,-745.01\"/>.</\n+00016150: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00016160: 7263 5f67 726f 6d61 6373 5f66 696c 6569  rc_gromacs_filei\n+00016170: 6f26 2334 353b 2667 743b 6d6f 6475 6c65  o&#45;&gt;module\n+00016180: 5f73 7263 5f67 726f 6d61 6373 5f61 7070  _src_gromacs_app\n+00016190: 6c69 6564 5f66 6f72 6365 735f 6177 6820  lied_forces_awh \n+000161a0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+000161b0: 3230 2220 636c 6173 733d 2265 6467 6522  20\" class=\"edge\"\n+000161c0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+000161d0: 7372 635f 6772 6f6d 6163 735f 6669 6c65  src_gromacs_file\n+000161e0: 696f 2623 3435 3b26 6774 3b6d 6f64 756c  io&#45;&gt;modul\n+000161f0: 655f 7372 635f 6772 6f6d 6163 735f 6170  e_src_gromacs_ap\n+00016200: 706c 6965 645f 666f 7263 6573 5f61 7768  plied_forces_awh\n+00016210: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00016220: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00016230: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n+00016240: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+00016250: 3222 2064 3d22 4d31 3138 372e 3833 2c2d  2\" d=\"M1187.83,-\n+00016260: 3739 312e 3137 4331 3232 302e 3439 2c2d  791.17C1220.49,-\n+00016270: 3830 312e 3236 2031 3237 392e 3931 2c2d  801.26 1279.91,-\n+00016280: 3832 312e 3233 2031 3331 352e 3636 2c2d  821.23 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omacs_gpu_utils&\n+00016ee0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00016ef0: 7263 5f67 726f 6d61 6373 5f75 7469 6c69  rc_gromacs_utili\n+00016f00: 7479 3c2f 7469 746c 653e 0a3c 7061 7468  ty</title>.<path\n+00016f10: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00016f20: 6f6b 653d 2223 3263 6363 3238 2220 7374  oke=\"#2ccc28\" st\n+00016f30: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+00016f40: 352c 3222 2064 3d22 4d38 3436 2e39 312c  5,2\" d=\"M846.91,\n+00016f50: 2d33 3537 2e33 3143 3835 342e 3331 2c2d  -357.31C854.31,-\n+00016f60: 3337 372e 3939 2038 3633 2e37 352c 2d34  377.99 863.75,-4\n+00016f70: 3139 2e36 2038 3637 2e33 2c2d 3434 352e  19.6 867.3,-445.\n+00016f80: 3635 222f 3e0a 3c70 6f6c 7967 6f6e 2066  65\"/>.<polygon f\n+00016f90: 696c 6c3d 2223 3263 6363 3238 2220 7374  ill=\"#2ccc28\" st\n+00016fa0: 726f 6b65 3d22 2332 6363 6332 3822 2070  roke=\"#2ccc28\" p\n+00016fb0: 6f69 6e74 733d 2238 3633 2e38 342c 2d34  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&#45;&gt;module_\n+000170a0: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n+000170b0: 6e75 7469 6c69 7479 3c2f 7469 746c 653e  nutility</title>\n+000170c0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+000170d0: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n+000170e0: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n+000170f0: 7272 6179 3d22 352c 3222 2064 3d22 4d37  rray=\"5,2\" d=\"M7\n+00017100: 3534 2e37 312c 2d32 3139 2e30 3443 3938  54.71,-219.04C98\n+00017110: 312e 392c 2d32 3230 2e32 3720 3139 3030  1.9,-220.27 1900\n+00017120: 2e33 322c 2d32 3338 2e37 3520 3230 3534  .32,-238.75 2054\n+00017130: 2e39 312c 2d34 3536 2e30 3920 3230 3631  .91,-456.09 2061\n+00017140: 2e38 332c 2d34 3635 2e38 3220 3230 3631  .83,-465.82 2061\n+00017150: 2e32 372c 2d34 3732 2e38 3520 3230 3534  .27,-472.85 2054\n+00017160: 2e39 312c 2d34 3832 2e39 3620 3230 3335  .91,-482.96 2035\n+00017170: 2e32 322c 2d35 3134 2e32 3620 3230 3037  .22,-514.26 2007\n+00017180: 2e35 362c 2d34 3934 2e34 3220 3139 3739  .56,-494.42 1979\n+00017190: 2e39 312c 2d35 3138 2e39 3620 3139 3535  .91,-518.96 1955\n+000171a0: 2e31 342c 2d35 3430 2e39 3420 3139 3537  .14,-540.94 1957\n+000171b0: 2e33 362c 2d35 3533 2e36 3920 3139 3339  .36,-553.69 1939\n+000171c0: 2e39 312c 2d35 3831 2e38 3320 3139 3232  .91,-581.83 1922\n+000171d0: 2e37 2c2d 3630 392e 3538 2031 3931 332e  .7,-609.58 1913.\n+000171e0: 3336 2c2d 3631 342e 3133 2031 3930 312e  36,-614.13 1901.\n+000171f0: 3931 2c2d 3634 342e 3720 3138 3832 2e30  91,-644.7 1882.0\n+00017200: 312c 2d36 3937 2e38 3320 3138 3837 2e35  1,-697.83 1887.5\n+00017210: 382c 2d37 3134 2e32 3320 3138 3739 2e39  8,-714.23 1879.9\n+00017220: 312c 2d37 3730 2e34 3420 3138 3730 2e37  1,-770.44 1870.7\n+00017230: 2c2d 3833 372e 3937 2031 3930 322e 3334  ,-837.97 1902.34\n+00017240: 2c2d 3836 362e 3120 3138 3634 2e39 312c  ,-866.1 1864.91,\n+00017250: 2d39 3233 2e30 3520 3138 3436 2e37 372c  -923.05 1846.77,\n+00017260: 2d39 3530 2e36 3520 3138 3136 2e36 372c  -950.65 1816.67,\n+00017270: 2d39 3330 2e36 2031 3739 392e 3931 2c2d  -930.6 1799.91,-\n+00017280: 3935 392e 3035 2031 3737 392e 3636 2c2d  959.05 1779.66,-\n+00017290: 3939 332e 3431 2031 3737 362e 3238 2c2d  993.41 1776.28,-\n+000172a0: 3130 3136 2e36 3620 3137 3939 2e39 312c  1016.66 1799.91,\n+000172b0: 2d31 3034 382e 3739 2031 3832 322e 3235  -1048.79 1822.25\n+000172c0: 2c2d 3130 3739 2e31 3820 3138 3633 2e35  ,-1079.18 1863.5\n+000172d0: 382c 2d31 3039 312e 3034 2031 3839 372e  8,-1091.04 1897.\n+000172e0: 3934 2c2d 3130 3935 2e34 3322 2f3e 0a3c  94,-1095.43\"/>.<\n+000172f0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon fill=\"#2\n+00017300: 3832 6663 6322 2073 7472 6f6b 653d 2223  82fcc\" stroke=\"#\n+00017310: 3238 3266 6363 2220 706f 696e 7473 3d22  282fcc\" points=\"\n+00017320: 3138 3937 2e35 372c 2d31 3039 382e 3931  1897.57,-1098.91\n+00017330: 2031 3930 372e 3839 2c2d 3130 3936 2e35   1907.89,-1096.5\n+00017340: 3220 3138 3938 2e33 332c 2d31 3039 312e  2 1898.33,-1091.\n+00017350: 3935 2031 3839 372e 3537 2c2d 3130 3938  95 1897.57,-1098\n+00017360: 2e39 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .91\"/>.</g>.<!--\n+00017370: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+00017380: 6163 735f 6c69 7374 6564 5f66 6f72 6365  acs_listed_force\n+00017390: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+000173a0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474  _src_gromacs_mdt\n+000173b0: 7970 6573 202d 2d3e 0a3c 6720 6964 3d22  ypes -->.<g id=\"\n+000173c0: 6564 6765 3133 3622 2063 6c61 7373 3d22  edge136\" class=\"\n+000173d0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+000173e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000173f0: 5f6c 6973 7465 645f 666f 7263 6573 2623  _listed_forces&#\n+00017400: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00017410: 635f 6772 6f6d 6163 735f 6d64 7479 7065  c_gromacs_mdtype\n+00017420: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820  s</title>.<path \n+00017430: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00017440: 6b65 3d22 7265 6422 2064 3d22 4d37 3533  ke=\"red\" d=\"M753\n+00017450: 2e37 342c 2d32 3230 2e38 3943 3935 382e  .74,-220.89C958.\n+00017460: 3333 2c2d 3232 392e 3631 2031 3732 392e  33,-229.61 1729.\n+00017470: 3435 2c2d 3237 342e 3238 2031 3836 372e  45,-274.28 1867.\n+00017480: 3931 2c2d 3435 362e 3039 2031 3838 352e  91,-456.09 1885.\n+00017490: 3834 2c2d 3437 392e 3634 2031 3833 342e  84,-479.64 1834.\n+000174a0: 3033 2c2d 3535 342e 3031 2031 3832 332e  03,-554.01 1823.\n+000174b0: 3931 2c2d 3538 312e 3833 2031 3737 302e  91,-581.83 1770.\n+000174c0: 3037 2c2d 3732 392e 3839 2031 3830 392e  07,-729.89 1809.\n+000174d0: 3239 2c2d 3738 382e 3136 2031 3732 372e  29,-788.16 1727.\n+000174e0: 3931 2c2d 3932 332e 3035 2031 3731 352e  91,-923.05 1715.\n+000174f0: 3839 2c2d 3934 322e 3937 2031 3730 362e  89,-942.97 1706.\n+00017500: 3132 2c2d 3934 322e 3336 2031 3638 392e  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81,-1027.68\"/>.<\n+000175f0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00017600: 7372 635f 6772 6f6d 6163 735f 6c69 7374  src_gromacs_list\n+00017610: 6564 5f66 6f72 6365 7326 2334 353b 2667  ed_forces&#45;&g\n+00017620: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00017630: 6d61 6373 5f67 6d78 6c69 6220 2d2d 3e0a  macs_gmxlib -->.\n+00017640: 3c67 2069 643d 2265 6467 6531 3339 2220  <g id=\"edge139\" \n+00017650: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+00017660: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00017670: 6772 6f6d 6163 735f 6c69 7374 6564 5f66  gromacs_listed_f\n+00017680: 6f72 6365 7326 2334 353b 2667 743b 6d6f  orces&#45;&gt;mo\n+00017690: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+000176a0: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a  _gmxlib</title>.\n+000176b0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+000176c0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" 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1554.94,-161.\n+000177b0: 3937 222f 3e0a 3c2f 673e 0a3c 212d 2d20  97\"/>.</g>.<!-- \n+000177c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+000177d0: 6373 5f6c 6973 7465 645f 666f 7263 6573  cs_listed_forces\n+000177e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+000177f0: 7372 635f 6772 6f6d 6163 735f 6e62 6e78  src_gromacs_nbnx\n+00017800: 6d20 2d2d 3e0a 3c67 2069 643d 2265 6467  m -->.<g id=\"edg\n+00017810: 6531 3432 2220 636c 6173 733d 2265 6467  e142\" class=\"edg\n+00017820: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00017830: 655f 7372 635f 6772 6f6d 6163 735f 6c69  e_src_gromacs_li\n+00017840: 7374 6564 5f66 6f72 6365 7326 2334 353b  sted_forces&#45;\n+00017850: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00017860: 726f 6d61 6373 5f6e 626e 786d 3c2f 7469  romacs_nbnxm</ti\n+00017870: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+00017880: 226e 6f6e 6522 2073 7472 6f6b 653d 2272  \"none\" 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ule_src_gromacs_\n+00017f90: 6770 755f 7574 696c 733c 2f74 6974 6c65  gpu_utils</title\n+00017fa0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+00017fb0: 6e65 2220 7374 726f 6b65 3d22 7265 6422  ne\" stroke=\"red\"\n+00017fc0: 2064 3d22 4d37 3232 2e33 322c 2d32 3330   d=\"M722.32,-230\n+00017fd0: 2e35 3843 3733 362e 3438 2c2d 3233 392e  .58C736.48,-239.\n+00017fe0: 3832 2037 3536 2e32 312c 2d32 3533 2e35  82 756.21,-253.5\n+00017ff0: 2037 3731 2e39 312c 2d32 3637 2e34 3820   771.91,-267.48 \n+00018000: 3739 312e 3131 2c2d 3238 342e 3538 2038  791.11,-284.58 8\n+00018010: 3130 2e35 322c 2d33 3036 2e36 3620 3832  10.52,-306.66 82\n+00018020: 332e 3636 2c2d 3332 322e 3439 222f 3e0a  3.66,-322.49\"/>.\n+00018030: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272  <polygon fill=\"r\n+00018040: 6564 2220 7374 726f 6b65 3d22 7265 6422  ed\" stroke=\"red\"\n+00018050: 2070 6f69 6e74 733d 2238 3231 2e32 332c   points=\"821.23,\n+00018060: 2d33 3235 2e30 3420 3833 302e 3238 2c2d  -325.04 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<title>module_sr\n+00018310: 635f 6772 6f6d 6163 735f 7461 736b 6173  c_gromacs_taskas\n+00018320: 7369 676e 6d65 6e74 3c2f 7469 746c 653e  signment</title>\n+00018330: 0a3c 6720 6964 3d22 615f 6e6f 6465 3334  .<g id=\"a_node34\n+00018340: 223e 3c61 2078 6c69 6e6b 3a68 7265 663d  \"><a xlink:href=\n+00018350: 2267 726f 7570 5f5f 6d6f 6475 6c65 5f5f  \"group__module__\n+00018360: 7461 736b 6173 7369 676e 6d65 6e74 2e78  taskassignment.x\n+00018370: 6874 6d6c 2220 7461 7267 6574 3d22 5f74  html\" target=\"_t\n+00018380: 6f70 2220 786c 696e 6b3a 7469 746c 653d  op\" xlink:title=\n+00018390: 2274 6173 6b61 7373 6967 6e6d 656e 7422  \"taskassignment\"\n+000183a0: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d  >.<ellipse fill=\n+000183b0: 2223 6535 6363 6666 2220 7374 726f 6b65  \"#e5ccff\" stroke\n+000183c0: 3d22 626c 6163 6b22 2063 783d 2231 3232  =\"black\" cx=\"122\n+000183d0: 352e 3931 2220 6379 3d22 2d34 3639 2e35  5.91\" cy=\"-469.5\n+000183e0: 3322 2072 783d 2236 302e 3632 2220 7279  3\" 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id=\"edge14\n+00018930: 3922 2063 6c61 7373 3d22 6564 6765 223e  9\" class=\"edge\">\n+00018940: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00018950: 7263 5f67 726f 6d61 6373 5f74 6173 6b61  rc_gromacs_taska\n+00018960: 7373 6967 6e6d 656e 7426 2334 353b 2667  ssignment&#45;&g\n+00018970: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00018980: 6d61 6373 5f67 6d78 6c69 623c 2f74 6974  macs_gmxlib</tit\n+00018990: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+000189a0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n+000189b0: 6662 6662 6622 2064 3d22 4d31 3232 382e  fbfbf\" d=\"M1228.\n+000189c0: 3632 2c2d 3435 352e 3937 4331 3233 382e  62,-455.97C1238.\n+000189d0: 3936 2c2d 3431 312e 3535 2031 3238 302e  96,-411.55 1280.\n+000189e0: 3537 2c2d 3236 312e 3432 2031 3338 302e  57,-261.42 1380.\n+000189f0: 3931 2c2d 3230 342e 3631 2031 3433 352e  91,-204.61 1435.\n+00018a00: 3734 2c2d 3137 332e 3537 2031 3530 382e  74,-173.57 1508.\n+00018a10: 3939 2c2d 3136 322e 3432 2031 3535 342e  99,-162.42 1554.\n+00018a20: 3238 2c2d 3135 382e 3432 222f 3e0a 3c70  28,-158.42\"/>.<p\n+00018a30: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n+00018a40: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n+00018a50: 6662 6662 6622 2070 6f69 6e74 733d 2231  fbfbf\" points=\"1\n+00018a60: 3535 342e 3634 2c2d 3136 312e 3920 3135  554.64,-161.9 15\n+00018a70: 3634 2e33 332c 2d31 3537 2e36 3120 3135  64.33,-157.61 15\n+00018a80: 3534 2e30 382c 2d31 3534 2e39 3220 3135  54.08,-154.92 15\n+00018a90: 3534 2e36 342c 2d31 3631 2e39 222f 3e0a  54.64,-161.9\"/>.\n+00018aa0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+00018ab0: 5f73 7263 5f67 726f 6d61 6373 5f74 6173  _src_gromacs_tas\n+00018ac0: 6b61 7373 6967 6e6d 656e 7426 2334 353b  kassignment&#45;\n+00018ad0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00018ae0: 726f 6d61 6373 5f68 6172 6477 6172 6520  romacs_hardware 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45.06,-418.49\"/>\n+00018bd0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00018be0: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n+00018bf0: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n+00018c00: 3d22 3130 3435 2e39 362c 2d34 3135 2e31  =\"1045.96,-415.1\n+00018c10: 2031 3033 352e 3338 2c2d 3431 352e 3831   1035.38,-415.81\n+00018c20: 2031 3034 342e 3039 2c2d 3432 312e 3835   1044.09,-421.85\n+00018c30: 2031 3034 352e 3936 2c2d 3431 352e 3122   1045.96,-415.1\"\n+00018c40: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00018c50: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00018c60: 7461 736b 6173 7369 676e 6d65 6e74 2623  taskassignment&#\n+00018c70: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00018c80: 635f 6772 6f6d 6163 735f 6577 616c 6420  c_gromacs_ewald \n+00018c90: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+00018ca0: 3434 2220 636c 6173 733d 2265 6467 6522  44\" class=\"edge\"\n+00018cb0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00018cc0: 7372 635f 6772 6f6d 6163 735f 7461 736b  src_gromacs_task\n+00018cd0: 6173 7369 676e 6d65 6e74 2623 3435 3b26  assignment&#45;&\n+00018ce0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00018cf0: 6f6d 6163 735f 6577 616c 643c 2f74 6974  omacs_ewald</tit\n+00018d00: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00018d10: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n+00018d20: 3832 6663 6322 2064 3d22 4d31 3137 382e  82fcc\" d=\"M1178.\n+00018d30: 3731 2c2d 3437 382e 3143 3131 3134 2e31  71,-478.1C1114.1\n+00018d40: 382c 2d34 3838 2e36 3320 3130 3031 2e38  8,-488.63 1001.8\n+00018d50: 382c 2d35 3037 2e36 3920 3936 312e 3931  8,-507.69 961.91\n+00018d60: 2c2d 3531 382e 3936 2037 3632 2e36 322c  ,-518.96 762.62,\n+00018d70: 2d35 3735 2e31 3420 3639 302e 3539 2c2d  -575.14 690.59,-\n+00018d80: 3536 392e 3931 2035 3335 2e39 312c 2d37  569.91 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4,-575.93\"/>.<po\n+00019030: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n+00019040: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n+00019050: 3266 6363 2220 706f 696e 7473 3d22 3130  2fcc\" points=\"10\n+00019060: 3838 2e37 2c2d 3537 332e 3333 2031 3038  88.7,-573.33 108\n+00019070: 332e 3431 2c2d 3538 322e 3531 2031 3039  3.41,-582.51 109\n+00019080: 332e 3237 2c2d 3537 382e 3633 2031 3038  3.27,-578.63 108\n+00019090: 382e 372c 2d35 3733 2e33 3322 2f3e 0a3c  8.7,-573.33\"/>.<\n+000190a0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+000190b0: 7372 635f 6772 6f6d 6163 735f 7461 736b  src_gromacs_task\n+000190c0: 6173 7369 676e 6d65 6e74 2623 3435 3b26  assignment&#45;&\n+000190d0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+000190e0: 6f6d 6163 735f 6770 755f 7574 696c 7320  omacs_gpu_utils \n+000190f0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+00019100: 3532 2220 636c 6173 733d 2265 6467 6522  52\" class=\"edge\"\n+00019110: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00019120: 7372 635f 6772 6f6d 6163 735f 7461 736b  src_gromacs_task\n+00019130: 6173 7369 676e 6d65 6e74 2623 3435 3b26  assignment&#45;&\n+00019140: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00019150: 6f6d 6163 735f 6770 755f 7574 696c 733c  omacs_gpu_utils<\n+00019160: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00019170: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00019180: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+00019190: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n+000191a0: 2220 643d 224d 3132 3033 2e35 2c2d 3435  \" d=\"M1203.5,-45\n+000191b0: 362e 3938 4331 3137 312e 3334 2c2d 3434  6.98C1171.34,-44\n+000191c0: 302e 3820 3131 3039 2e39 2c2d 3431 312e  0.8 1109.9,-411.\n+000191d0: 3334 2031 3035 342e 3931 2c2d 3339 332e  34 1054.91,-393.\n+000191e0: 3232 2039 3937 2e32 312c 2d33 3734 2e32  22 997.21,-374.2\n+000191f0: 3120 3932 382e 3338 2c2d 3336 302e 3135  1 928.38,-360.15\n+00019200: 2038 3834 2e34 322c 2d33 3532 2e32 3122   884.42,-352.21\"\n+00019210: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00019220: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+00019230: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n+00019240: 7473 3d22 3838 342e 3831 2c2d 3334 382e  ts=\"884.81,-348.\n+00019250: 3733 2038 3734 2e33 352c 2d33 3530 2e34  73 874.35,-350.4\n+00019260: 3220 3838 332e 3538 2c2d 3335 352e 3632  2 883.58,-355.62\n+00019270: 2038 3834 2e38 312c 2d33 3438 2e37 3322   884.81,-348.73\"\n+00019280: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00019290: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000192a0: 7461 736b 6173 7369 676e 6d65 6e74 2623  taskassignment&#\n+000192b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+000192c0: 635f 6772 6f6d 6163 735f 6c69 7374 6564  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9C1186.8,-429.28\n+000193b0: 2031 3132 302e 3031 2c2d 3336 362e 3236   1120.01,-366.26\n+000193c0: 2031 3035 322e 3931 2c2d 3333 302e 3335   1052.91,-330.35\n+000193d0: 2039 3532 2e38 332c 2d32 3736 2e38 2038   952.83,-276.8 8\n+000193e0: 3232 2e36 372c 2d32 3433 2e38 3220 3735  22.67,-243.82 75\n+000193f0: 332e 3031 2c2d 3232 382e 3735 222f 3e0a  3.01,-228.75\"/>.\n+00019400: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+00019410: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n+00019420: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n+00019430: 2237 3533 2e36 392c 2d32 3235 2e33 3220  \"753.69,-225.32 \n+00019440: 3734 332e 3138 2c2d 3232 362e 3636 2037  743.18,-226.66 7\n+00019450: 3532 2e32 332c 2d32 3332 2e31 3720 3735  52.23,-232.17 75\n+00019460: 332e 3639 2c2d 3232 352e 3332 222f 3e0a  3.69,-225.32\"/>.\n+00019470: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65  </g>.<!-- module\n+00019480: 5f73 7263 5f67 726f 6d61 6373 5f74 6173  _src_gromacs_tas\n+00019490: 6b61 7373 6967 6e6d 656e 7426 2334 353b  kassignment&#45;\n+000194a0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+000194b0: 726f 6d61 6373 5f6d 646c 6962 202d 2d3e  romacs_mdlib -->\n+000194c0: 0a3c 6720 6964 3d22 6564 6765 3134 3622  .<g id=\"edge146\"\n+000194d0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+000194e0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+000194f0: 5f67 726f 6d61 6373 5f74 6173 6b61 7373  _gromacs_taskass\n+00019500: 6967 6e6d 656e 7426 2334 353b 2667 743b  ignment&#45;&gt;\n+00019510: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00019520: 6373 5f6d 646c 6962 3c2f 7469 746c 653e  cs_mdlib</title>\n+00019530: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+00019540: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n+00019550: 6266 2220 643d 224d 3131 3838 2e30 332c  bf\" d=\"M1188.03,\n+00019560: 2d34 3830 2e32 3143 3130 3730 2e31 382c  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dule_src_gromacs\n+00019650: 5f65 7373 656e 7469 616c 6479 6e61 6d69  _essentialdynami\n+00019660: 6373 202d 2d3e 0a3c 6720 6964 3d22 6e6f  cs -->.<g id=\"no\n+00019670: 6465 3435 2220 636c 6173 733d 226e 6f64  de45\" class=\"nod\n+00019680: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+00019690: 655f 7372 635f 6772 6f6d 6163 735f 6573  e_src_gromacs_es\n+000196a0: 7365 6e74 6961 6c64 796e 616d 6963 733c  sentialdynamics<\n+000196b0: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365  /title>.<ellipse\n+000196c0: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n+000196d0: 7374 726f 6b65 3d22 626c 6163 6b22 2063  stroke=\"black\" c\n+000196e0: 783d 2231 3435 332e 3931 2220 6379 3d22  x=\"1453.91\" cy=\"\n+000196f0: 2d34 3036 2e36 3622 2072 783d 2236 392e  -406.66\" rx=\"69.\n+00019700: 3039 2220 7279 3d22 3133 2e33 3722 2f3e  09\" ry=\"13.37\"/>\n+00019710: 0a3c 7465 7874 2074 6578 742d 616e 6368  .<text text-anch\n+00019720: 6f72 3d22 6d69 6464 6c65 2220 783d 2231  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.<title>module_s\n+00019810: 7263 5f67 726f 6d61 6373 5f74 6173 6b61  rc_gromacs_taska\n+00019820: 7373 6967 6e6d 656e 7426 2334 353b 2667  ssignment&#45;&g\n+00019830: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00019840: 6d61 6373 5f65 7373 656e 7469 616c 6479  macs_essentialdy\n+00019850: 6e61 6d69 6373 3c2f 7469 746c 653e 0a3c  namics</title>.<\n+00019860: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00019870: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+00019880: 2220 7374 726f 6b65 2d64 6173 6861 7272  \" stroke-dasharr\n+00019890: 6179 3d22 352c 3222 2064 3d22 4d31 3236  ay=\"5,2\" d=\"M126\n+000198a0: 322e 3534 2c2d 3435 382e 3735 4331 3330  2.54,-458.75C130\n+000198b0: 312e 3335 2c2d 3434 382e 3339 2031 3336  1.35,-448.39 136\n+000198c0: 322e 382c 2d34 3331 2e39 3820 3134 3035  2.8,-431.98 1405\n+000198d0: 2e35 362c 2d34 3230 2e35 3622 2f3e 0a3c  .56,-420.56\"/>.<\n+000198e0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332  polygon 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itle>module_src_\n+000199d0: 6772 6f6d 6163 735f 746f 6f6c 7326 2334  gromacs_tools&#4\n+000199e0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+000199f0: 5f67 726f 6d61 6373 5f67 6d78 7072 6570  _gromacs_gmxprep\n+00019a00: 726f 6365 7373 3c2f 7469 746c 653e 0a3c  rocess</title>.<\n+00019a10: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00019a20: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+00019a30: 2220 643d 224d 3335 302e 3237 2c2d 3132  \" d=\"M350.27,-12\n+00019a40: 3230 2e38 3443 3435 362e 3631 2c2d 3132  20.84C456.61,-12\n+00019a50: 3132 2e32 3420 3835 352e 3837 2c2d 3131  12.24 855.87,-11\n+00019a60: 3739 2e39 3620 3130 3132 2e39 2c2d 3131  79.96 1012.9,-11\n+00019a70: 3637 2e32 3722 2f3e 0a3c 706f 6c79 676f  67.27\"/>.<polygo\n+00019a80: 6e20 6669 6c6c 3d22 2362 6662 6662 6622  n fill=\"#bfbfbf\"\n+00019a90: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+00019aa0: 2220 706f 696e 7473 3d22 3130 3133 2e32  \" points=\"1013.2\n+00019ab0: 312c 2d31 3137 302e 3736 2031 3032 322e  1,-1170.76 1022.\n+00019ac0: 3839 2c2d 3131 3636 2e34 3620 3130 3132  89,-1166.46 1012\n+00019ad0: 2e36 342c 2d31 3136 332e 3738 2031 3031  .64,-1163.78 101\n+00019ae0: 332e 3231 2c2d 3131 3730 2e37 3622 2f3e  3.21,-1170.76\"/>\n+00019af0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+00019b00: 655f 7372 635f 6772 6f6d 6163 735f 746f  e_src_gromacs_to\n+00019b10: 6f6c 7326 2334 353b 2667 743b 6d6f 6475  ols&#45;&gt;modu\n+00019b20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+00019b30: 6474 7970 6573 202d 2d3e 0a3c 6720 6964  dtypes -->.<g id\n+00019b40: 3d22 6564 6765 3135 3922 2063 6c61 7373  =\"edge159\" class\n+00019b50: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00019b60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00019b70: 6373 5f74 6f6f 6c73 2623 3435 3b26 6774  cs_tools&#45;&gt\n+00019b80: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+00019b90: 6163 735f 6d64 7479 7065 733c 2f74 6974  acs_mdtypes</tit\n+00019ba0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+00019bb0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n+00019bc0: 6662 6662 6622 2064 3d22 4d33 3530 2e39  fbfbf\" d=\"M350.9\n+00019bd0: 392c 2d31 3232 322e 3332 4334 3734 2e37  9,-1222.32C474.7\n+00019be0: 382c 2d31 3231 392e 3220 3938 372e 352c  8,-1219.2 987.5,\n+00019bf0: 2d31 3230 342e 3638 2031 3134 342e 3931  -1204.68 1144.91\n+00019c00: 2c2d 3131 3734 2e35 3320 3132 3332 2e32  ,-1174.53 1232.2\n+00019c10: 372c 2d31 3135 372e 3820 3132 3738 2e31  7,-1157.8 1278.1\n+00019c20: 382c 2d31 3138 302e 3137 2031 3333 342e  8,-1180.17 1334.\n+00019c30: 3931 2c2d 3131 3131 2e36 3620 3133 3436  91,-1111.66 1346\n+00019c40: 2e38 372c 2d31 3039 372e 3232 2031 3334  .87,-1097.22 134\n+00019c50: 382e 3633 2c2d 3130 3735 2e35 3920 3133  8.63,-1075.59 13\n+00019c60: 3437 2e38 332c 2d31 3035 392e 3231 222f  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class=\"edge\">\n+00019d50: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+00019d60: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73  rc_gromacs_tools\n+00019d70: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00019d80: 7372 635f 6772 6f6d 6163 735f 676d 786c  src_gromacs_gmxl\n+00019d90: 6962 3c2f 7469 746c 653e 0a3c 7061 7468  ib</title>.<path\n+00019da0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00019db0: 6f6b 653d 2223 6266 6266 6266 2220 643d  oke=\"#bfbfbf\" d=\n+00019dc0: 224d 3335 312e 3037 2c2d 3132 3232 2e35  \"M351.07,-1222.5\n+00019dd0: 3243 3535 362e 342c 2d31 3231 392e 3132  2C556.4,-1219.12\n+00019de0: 2031 3836 312e 3138 2c2d 3131 3936 2e37   1861.18,-1196.7\n+00019df0: 3720 3230 3334 2e39 312c 2d31 3137 342e  7 2034.91,-1174.\n+00019e00: 3533 2032 3136 362e 3939 2c2d 3131 3537  53 2166.99,-1157\n+00019e10: 2e36 3220 3233 3234 2e39 312c 2d31 3233  .62 2324.91,-123\n+00019e20: 322e 3339 2032 3332 342e 3931 2c2d 3130  2.39 2324.91,-10\n+00019e30: 3939 2e32 3320 3233 3234 2e39 312c 2d31  99.23 2324.91,-1\n+00019e40: 3039 392e 3233 2032 3332 342e 3931 2c2d  099.23 2324.91,-\n+00019e50: 3130 3939 2e32 3320 3233 3234 2e39 312c  1099.23 2324.91,\n+00019e60: 2d32 3739 2e39 3220 3233 3234 2e39 312c  -279.92 2324.91,\n+00019e70: 2d31 3938 2e30 3920 3232 3336 2e31 312c  -198.09 2236.11,\n+00019e80: 2d32 3235 2e31 3520 3231 3536 2e39 312c  -225.15 2156.91,\n+00019e90: 2d32 3034 2e36 3120 3230 3538 2e35 392c  -204.61 2058.59,\n+00019ea0: 2d31 3739 2e31 3120 3137 3530 2e32 362c  -179.11 1750.26,\n+00019eb0: 2d31 3633 2e31 2031 3633 372e 3633 2c2d  -163.1 1637.63,-\n+00019ec0: 3135 372e 3937 222f 3e0a 3c70 6f6c 7967  157.97\"/>.<polyg\n+00019ed0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n+00019ee0: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+00019ef0: 6622 2070 6f69 6e74 733d 2231 3633 372e  f\" points=\"1637.\n+00019f00: 352c 2d31 3534 2e34 3620 3136 3237 2e33  5,-154.46 1627.3\n+00019f10: 362c 2d31 3537 2e35 3120 3136 3337 2e31  6,-157.51 1637.1\n+00019f20: 392c 2d31 3631 2e34 3520 3136 3337 2e35  9,-161.45 1637.5\n+00019f30: 2c2d 3135 342e 3436 222f 3e0a 3c2f 673e  ,-154.46\"/>.</g>\n+00019f40: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+00019f50: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623  _gromacs_tools&#\n+00019f60: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00019f70: 635f 6772 6f6d 6163 735f 6577 616c 6420  c_gromacs_ewald \n+00019f80: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531  -->.<g id=\"edge1\n+00019f90: 3534 2220 636c 6173 733d 2265 6467 6522  54\" class=\"edge\"\n+00019fa0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00019fb0: 7372 635f 6772 6f6d 6163 735f 746f 6f6c  src_gromacs_tool\n+00019fc0: 7326 2334 353b 2667 743b 6d6f 6475 6c65  s&#45;&gt;module\n+00019fd0: 5f73 7263 5f67 726f 6d61 6373 5f65 7761  _src_gromacs_ewa\n+00019fe0: 6c64 3c2f 7469 746c 653e 0a3c 7061 7468  ld</title>.<path\n+00019ff0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+0001a000: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n+0001a010: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+0001a020: 352c 3222 2064 3d22 4d33 3331 2e38 372c  5,2\" d=\"M331.87,\n+0001a030: 2d31 3231 302e 3933 4333 3538 2e31 312c  -1210.93C358.11,\n+0001a040: 2d31 3137 312e 3236 2034 3432 2e31 312c  -1171.26 442.11,\n+0001a050: 2d31 3034 342e 3235 2034 3735 2e32 362c  -1044.25 475.26,\n+0001a060: 2d39 3934 2e31 3222 2f3e 0a3c 706f 6c79  -994.12\"/>.<poly\n+0001a070: 676f 6e20 6669 6c6c 3d22 2332 3832 6663  gon fill=\"#282fc\n+0001a080: 6322 2073 7472 6f6b 653d 2223 3238 3266  c\" stroke=\"#282f\n+0001a090: 6363 2220 706f 696e 7473 3d22 3437 382e  cc\" points=\"478.\n+0001a0a0: 3234 2c2d 3939 352e 3936 2034 3830 2e38  24,-995.96 480.8\n+0001a0b0: 342c 2d39 3835 2e36 3920 3437 322e 342c  4,-985.69 472.4,\n+0001a0c0: 2d39 3932 2e31 2034 3738 2e32 342c 2d39  -992.1 478.24,-9\n+0001a0d0: 3935 2e39 3622 2f3e 0a3c 2f67 3e0a 3c21  95.96\"/>.</g>.<!\n+0001a0e0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+0001a0f0: 6f6d 6163 735f 746f 6f6c 7326 2334 353b  omacs_tools&#45;\n+0001a100: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0001a110: 726f 6d61 6373 5f72 616e 646f 6d20 2d2d  romacs_random --\n+0001a120: 3e0a 3c67 2069 643d 2265 6467 6531 3630  >.<g id=\"edge160\n+0001a130: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+0001a140: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+0001a150: 635f 6772 6f6d 6163 735f 746f 6f6c 7326  c_gromacs_tools&\n+0001a160: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001a170: 7263 5f67 726f 6d61 6373 5f72 616e 646f  rc_gromacs_rando\n+0001a180: 6d3c 2f74 6974 6c65 3e0a 3c70 6174 6820  m</title>.<path \n+0001a190: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+0001a1a0: 6b65 3d22 626c 6163 6b22 2073 7472 6f6b  ke=\"black\" strok\n+0001a1b0: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n+0001a1c0: 2220 643d 224d 3335 312e 3136 2c2d 3132  \" d=\"M351.16,-12\n+0001a1d0: 3232 2e37 3443 3538 392e 3039 2c2d 3132  22.74C589.09,-12\n+0001a1e0: 3230 2e36 3320 3233 3034 2e39 312c 2d31  20.63 2304.91,-1\n+0001a1f0: 3230 312e 3835 2032 3330 342e 3931 2c2d  201.85 2304.91,-\n+0001a200: 3130 3939 2e32 3320 3233 3034 2e39 312c  1099.23 2304.91,\n+0001a210: 2d31 3039 392e 3233 2032 3330 342e 3931  -1099.23 2304.91\n+0001a220: 2c2d 3130 3939 2e32 3320 3233 3034 2e39  ,-1099.23 2304.9\n+0001a230: 312c 2d39 3731 2e34 3920 3233 3034 2e39  1,-971.49 2304.9\n+0001a240: 312c 2d38 3838 2e30 3720 3232 3834 2e39  1,-888.07 2284.9\n+0001a250: 312c 2d38 3638 2e32 3920 3232 3834 2e39  1,-868.29 2284.9\n+0001a260: 312c 2d37 3834 2e38 3820 3232 3834 2e39  1,-784.88 2284.9\n+0001a270: 312c 2d37 3834 2e38 3820 3232 3834 2e39  1,-784.88 2284.9\n+0001a280: 312c 2d37 3834 2e38 3820 3232 3834 2e39  1,-784.88 2284.9\n+0001a290: 312c 2d35 3934 2e32 3720 3232 3834 2e39  1,-594.27 2284.9\n+0001a2a0: 312c 2d35 3433 2e31 3320 3232 3430 2e39  1,-543.13 2240.9\n+0001a2b0: 352c 2d35 3436 2e35 3820 3231 3937 2e39  5,-546.58 2197.9\n+0001a2c0: 312c 2d35 3138 2e39 3620 3231 3431 2e31  1,-518.96 2141.1\n+0001a2d0: 382c 2d34 3832 2e35 3620 3231 3234 2e39  8,-482.56 2124.9\n+0001a2e0: 342c 2d34 3733 2e37 3920 3230 3539 2e39  4,-473.79 2059.9\n+0001a2f0: 312c 2d34 3536 2e30 3920 3139 3130 2e32  1,-456.09 1910.2\n+0001a300: 312c 2d34 3135 2e33 3420 3137 3234 2e37  1,-415.34 1724.7\n+0001a310: 342c 2d34 3038 2e34 3620 3136 3430 2e38  4,-408.46 1640.8\n+0001a320: 352c 2d34 3037 2e35 3722 2f3e 0a3c 706f  5,-407.57\"/>.<po\n+0001a330: 6c79 676f 6e20 6669 6c6c 3d22 626c 6163  lygon fill=\"blac\n+0001a340: 6b22 2073 7472 6f6b 653d 2262 6c61 636b  k\" stroke=\"black\n+0001a350: 2220 706f 696e 7473 3d22 3136 3430 2e36  \" points=\"1640.6\n+0001a360: 392c 2d34 3034 2e30 3720 3136 3330 2e36  9,-404.07 1630.6\n+0001a370: 362c 2d34 3037 2e34 3920 3136 3430 2e36  6,-407.49 1640.6\n+0001a380: 332c 2d34 3131 2e30 3720 3136 3430 2e36  3,-411.07 1640.6\n+0001a390: 392c 2d34 3034 2e30 3722 2f3e 0a3c 2f67  9,-404.07\"/>.</g\n+0001a3a0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+0001a3b0: 635f 6772 6f6d 6163 735f 746f 6f6c 7326  c_gromacs_tools&\n+0001a3c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001a3d0: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61  rc_gromacs_comma\n+0001a3e0: 6e64 6c69 6e65 202d 2d3e 0a3c 6720 6964  ndline -->.<g id\n+0001a3f0: 3d22 6564 6765 3135 3322 2063 6c61 7373  =\"edge153\" class\n+0001a400: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+0001a410: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001a420: 6373 5f74 6f6f 6c73 2623 3435 3b26 6774  cs_tools&#45;&gt\n+0001a430: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0001a440: 6163 735f 636f 6d6d 616e 646c 696e 653c  acs_commandline<\n+0001a450: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+0001a460: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+0001a470: 3d22 626c 6163 6b22 2073 7472 6f6b 652d  =\"black\" stroke-\n+0001a480: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+0001a490: 643d 224d 3239 362e 3936 2c2d 3132 3231  d=\"M296.96,-1221\n+0001a4a0: 2e33 3743 3233 362e 3131 2c2d 3132 3137  .37C236.11,-1217\n+0001a4b0: 2e32 3520 3930 2e34 372c 2d31 3230 342e  .25 90.47,-1204.\n+0001a4c0: 3437 2035 322e 3931 2c2d 3131 3734 2e35  47 52.91,-1174.5\n+0001a4d0: 3320 3234 2e34 372c 2d31 3135 312e 3837  3 24.47,-1151.87\n+0001a4e0: 2032 302e 3931 2c2d 3131 3335 2e35 3920   20.91,-1135.59 \n+0001a4f0: 3230 2e39 312c 2d31 3039 392e 3233 2032  20.91,-1099.23 2\n+0001a500: 302e 3931 2c2d 3130 3939 2e32 3320 3230  0.91,-1099.23 20\n+0001a510: 2e39 312c 2d31 3039 392e 3233 2032 302e  .91,-1099.23 20.\n+0001a520: 3931 2c2d 3334 322e 3739 2032 302e 3931  91,-342.79 20.91\n+0001a530: 2c2d 3231 322e 3631 2031 3038 2e39 372c  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ools&#45;&gt;mod\n+0001a620: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001a630: 6666 7420 2d2d 3e0a 3c67 2069 643d 2265  fft -->.<g id=\"e\n+0001a640: 6467 6531 3535 2220 636c 6173 733d 2265  dge155\" class=\"e\n+0001a650: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+0001a660: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001a670: 746f 6f6c 7326 2334 353b 2667 743b 6d6f  tools&#45;&gt;mo\n+0001a680: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001a690: 5f66 6674 3c2f 7469 746c 653e 0a3c 7061  _fft</title>.<pa\n+0001a6a0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+0001a6b0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+0001a6c0: 643d 224d 3330 332e 3537 2c2d 3132 3134  d=\"M303.57,-1214\n+0001a6d0: 2e39 3143 3236 392e 3731 2c2d 3132 3030  .91C269.71,-1200\n+0001a6e0: 2e32 3320 3230 322e 3833 2c2d 3131 3635  .23 202.83,-1165\n+0001a6f0: 2e36 2031 3735 2e39 312c 2d31 3131 312e  .6 175.91,-1111.\n+0001a700: 3636 2031 3435 2e32 322c 2d31 3035 302e  66 145.22,-1050.\n+0001a710: 3138 2031 3838 2e36 322c 2d39 3638 2e36  18 188.62,-968.6\n+0001a720: 3520 3231 322e 3731 2c2d 3933 312e 3132  5 212.71,-931.12\n+0001a730: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c  \"/>.<polygon fil\n+0001a740: 6c3d 2223 6266 6266 6266 2220 7374 726f  l=\"#bfbfbf\" stro\n+0001a750: 6b65 3d22 2362 6662 6662 6622 2070 6f69  ke=\"#bfbfbf\" poi\n+0001a760: 6e74 733d 2232 3135 2e37 372c 2d39 3332  nts=\"215.77,-932\n+0001a770: 2e38 3420 3231 382e 3336 2c2d 3932 322e  .84 218.36,-922.\n+0001a780: 3536 2032 3039 2e39 332c 2d39 3238 2e39  56 209.93,-928.9\n+0001a790: 3820 3231 352e 3737 2c2d 3933 322e 3834  8 215.77,-932.84\n+0001a7a0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+0001a7b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001a7c0: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d  _tools&#45;&gt;m\n+0001a7d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001a7e0: 735f 6669 6c65 696f 202d 2d3e 0a3c 6720  s_fileio -->.<g \n+0001a7f0: 6964 3d22 6564 6765 3135 3622 2063 6c61  id=\"edge156\" cla\n+0001a800: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+0001a810: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+0001a820: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26  macs_tools&#45;&\n+0001a830: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0001a840: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469  omacs_fileio</ti\n+0001a850: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+0001a860: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+0001a870: 6266 6266 6266 2220 643d 224d 3239 372e  bfbfbf\" d=\"M297.\n+0001a880: 3435 2c2d 3132 3230 2e36 3143 3233 382e  45,-1220.61C238.\n+0001a890: 3338 2c2d 3132 3133 2e37 3520 3130 302e  38,-1213.75 100.\n+0001a8a0: 3931 2c2d 3131 3838 2e32 3220 3130 302e  91,-1188.22 100.\n+0001a8b0: 3931 2c2d 3130 3939 2e32 3320 3130 302e  91,-1099.23 100.\n+0001a8c0: 3931 2c2d 3130 3939 2e32 3320 3130 302e  91,-1099.23 100.\n+0001a8d0: 3931 2c2d 3130 3939 2e32 3320 3130 302e  91,-1099.23 100.\n+0001a8e0: 3931 2c2d 3130 3334 2e33 3620 3130 302e  91,-1034.36 100.\n+0001a8f0: 3931 2c2d 3936 312e 3037 2031 3238 2e35  91,-961.07 128.5\n+0001a900: 372c 2d39 3334 2e37 3120 3139 302e 3931  7,-934.71 190.91\n+0001a910: 2c2d 3839 362e 3138 2032 3732 2e32 332c  ,-896.18 272.23,\n+0001a920: 2d38 3435 2e39 3220 3936 312e 3037 2c2d  -845.92 961.07,-\n+0001a930: 3739 382e 3135 2031 3132 382e 3339 2c2d  798.15 1128.39,-\n+0001a940: 3738 372e 3231 222f 3e0a 3c70 6f6c 7967  787.21\"/>.<polyg\n+0001a950: 6f6e 2066 696c 6c3d 2223 6266 6266 6266  on fill=\"#bfbfbf\n+0001a960: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+0001a970: 6622 2070 6f69 6e74 733d 2231 3132 382e  f\" points=\"1128.\n+0001a980: 3638 2c2d 3739 302e 3720 3131 3338 2e34  68,-790.7 1138.4\n+0001a990: 332c 2d37 3836 2e35 3620 3131 3238 2e32  3,-786.56 1128.2\n+0001a9a0: 322c 2d37 3833 2e37 3120 3131 3238 2e36  2,-783.71 1128.6\n+0001a9b0: 382c 2d37 3930 2e37 222f 3e0a 3c2f 673e  8,-790.7\"/>.</g>\n+0001a9c0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+0001a9d0: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623  _gromacs_tools&#\n+0001a9e0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0001a9f0: 635f 6772 6f6d 6163 735f 7472 616a 6563  c_gromacs_trajec\n+0001aa00: 746f 7279 202d 2d3e 0a3c 6720 6964 3d22  tory -->.<g id=\"\n+0001aa10: 6564 6765 3136 3222 2063 6c61 7373 3d22  edge162\" class=\"\n+0001aa20: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+0001aa30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001aa40: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d  _tools&#45;&gt;m\n+0001aa50: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001aa60: 735f 7472 616a 6563 746f 7279 3c2f 7469  s_trajectory</ti\n+0001aa70: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path 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50.04,-724\"/>.<p\n+0001ab60: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n+0001ab70: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n+0001ab80: 6662 6662 6622 2070 6f69 6e74 733d 2236  fbfbf\" points=\"6\n+0001ab90: 3530 2e34 342c 2d37 3237 2e34 3820 3636  50.44,-727.48 66\n+0001aba0: 302e 3233 2c2d 3732 332e 3433 2036 3530  0.23,-723.43 650\n+0001abb0: 2e30 352c 2d37 3230 2e34 3920 3635 302e  .05,-720.49 650.\n+0001abc0: 3434 2c2d 3732 372e 3438 222f 3e0a 3c2f  44,-727.48\"/>.</\n+0001abd0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0001abe0: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73  rc_gromacs_tools\n+0001abf0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0001ac00: 7372 635f 6772 6f6d 6163 735f 6c69 7374  src_gromacs_list\n+0001ac10: 6564 5f66 6f72 6365 7320 2d2d 3e0a 3c67  ed_forces -->.<g\n+0001ac20: 2069 643d 2265 6467 6531 3634 2220 636c   id=\"edge164\" cl\n+0001ac30: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+0001ac40: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+0001ac50: 6f6d 6163 735f 746f 6f6c 7326 2334 353b  omacs_tools&#45;\n+0001ac60: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0001ac70: 726f 6d61 6373 5f6c 6973 7465 645f 666f  romacs_listed_fo\n+0001ac80: 7263 6573 3c2f 7469 746c 653e 0a3c 7061  rces</title>.<pa\n+0001ac90: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+0001aca0: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+0001acb0: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n+0001acc0: 3d22 352c 3222 2064 3d22 4d32 3936 2e37  =\"5,2\" d=\"M296.7\n+0001acd0: 372c 2d31 3232 332e 3343 3232 352e 3934  7,-1223.3C225.94\n+0001ace0: 2c2d 3132 3232 2e36 3220 3430 2e39 312c  ,-1222.62 40.91,\n+0001acf0: 2d31 3231 302e 3233 2034 302e 3931 2c2d  -1210.23 40.91,-\n+0001ad00: 3130 3939 2e32 3320 3430 2e39 312c 2d31  1099.23 40.91,-1\n+0001ad10: 3039 392e 3233 2034 302e 3931 2c2d 3130  099.23 40.91,-10\n+0001ad20: 3939 2e32 3320 3430 2e39 312c 2d39 3038  99.23 40.91,-908\n+0001ad30: 2e36 3220 3430 2e39 312c 2d37 3737 2e31  .62 40.91,-777.1\n+0001ad40: 2038 382e 3832 2c2d 3433 362e 3138 2031   88.82,-436.18 1\n+0001ad50: 3636 2e39 312c 2d33 3330 2e33 3520 3139  66.91,-330.35 19\n+0001ad60: 332e 3134 2c2d 3239 342e 3820 3230 332e  3.14,-294.8 203.\n+0001ad70: 3133 2c2d 3238 342e 3437 2032 3433 2e39  13,-284.47 243.9\n+0001ad80: 312c 2d32 3637 2e34 3820 3331 342e 3733  1,-267.48 314.73\n+0001ad90: 2c2d 3233 372e 3937 2035 3336 2e31 322c  ,-237.97 536.12,\n+0001ada0: 2d32 3235 2e35 3320 3634 332e 3834 2c2d  -225.53 643.84,-\n+0001adb0: 3232 312e 3132 222f 3e0a 3c70 6f6c 7967  221.12\"/>.<polyg\n+0001adc0: 6f6e 2066 696c 6c3d 2223 3238 3266 6363  on fill=\"#282fcc\n+0001add0: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+0001ade0: 6322 2070 6f69 6e74 733d 2236 3434 2e30  c\" points=\"644.0\n+0001adf0: 352c 2d32 3234 2e36 3120 3635 332e 392c  5,-224.61 653.9,\n+0001ae00: 2d32 3230 2e37 3120 3634 332e 3737 2c2d  -220.71 643.77,-\n+0001ae10: 3231 372e 3632 2036 3434 2e30 352c 2d32  217.62 644.05,-2\n+0001ae20: 3234 2e36 3122 2f3e 0a3c 2f67 3e0a 3c21  24.61\"/>.</g>.<!\n+0001ae30: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+0001ae40: 6f6d 6163 735f 746f 6f6c 7326 2334 353b  omacs_tools&#45;\n+0001ae50: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0001ae60: 726f 6d61 6373 5f6d 6472 756e 202d 2d3e  romacs_mdrun -->\n+0001ae70: 0a3c 6720 6964 3d22 6564 6765 3136 3122  .<g id=\"edge161\"\n+0001ae80: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+0001ae90: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+0001aea0: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623  _gromacs_tools&#\n+0001aeb0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0001aec0: 635f 6772 6f6d 6163 735f 6d64 7275 6e3c  c_gromacs_mdrun<\n+0001aed0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+0001aee0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+0001aef0: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+0001af00: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n+0001af10: 2220 643d 224d 3335 312e 3034 2c2d 3132  \" d=\"M351.04,-12\n+0001af20: 3232 2e33 3843 3537 392e 322c 2d31 3231  22.38C579.2,-121\n+0001af30: 372e 3337 2032 3137 312e 3131 2c2d 3131  7.37 2171.11,-11\n+0001af40: 3830 2032 3234 322e 3931 2c2d 3131 3131  80 2242.91,-1111\n+0001af50: 2e36 3620 3232 3639 2e39 342c 2d31 3038  .66 2269.94,-108\n+0001af60: 352e 3933 2032 3234 342e 3931 2c2d 3939  5.93 2244.91,-99\n+0001af70: 332e 3934 2032 3234 342e 3931 2c2d 3738  3.94 2244.91,-78\n+0001af80: 342e 3838 2032 3234 342e 3931 2c2d 3738  4.88 2244.91,-78\n+0001af90: 342e 3838 2032 3234 342e 3931 2c2d 3738  4.88 2244.91,-78\n+0001afa0: 342e 3838 2032 3234 342e 3931 2c2d 3635  4.88 2244.91,-65\n+0001afb0: 372e 3134 2032 3234 342e 3931 2c2d 3537  7.14 2244.91,-57\n+0001afc0: 392e 3433 2031 3634 382e 352c 2d35 3433  9.43 1648.5,-543\n+0001afd0: 2e36 3920 3134 3834 2e39 352c 2d35 3335  .69 1484.95,-535\n+0001afe0: 2e33 3522 2f3e 0a3c 706f 6c79 676f 6e20  .35\"/>.<polygon \n+0001aff0: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n+0001b000: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+0001b010: 706f 696e 7473 3d22 3134 3834 2e39 382c  points=\"1484.98,\n+0001b020: 2d35 3331 2e38 3520 3134 3734 2e38 322c  -531.85 1474.82,\n+0001b030: 2d35 3334 2e38 3420 3134 3834 2e36 332c  -534.84 1484.63,\n+0001b040: 2d35 3338 2e38 3420 3134 3834 2e39 382c  -538.84 1484.98,\n+0001b050: 2d35 3331 2e38 3522 2f3e 0a3c 2f67 3e0a  -531.85\"/>.</g>.\n+0001b060: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+0001b070: 6772 6f6d 6163 735f 746f 6f6c 7326 2334  gromacs_tools&#4\n+0001b080: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0001b090: 5f67 726f 6d61 6373 5f6d 646c 6962 202d  _gromacs_mdlib -\n+0001b0a0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3135  ->.<g id=\"edge15\n+0001b0b0: 3822 2063 6c61 7373 3d22 6564 6765 223e  8\" class=\"edge\">\n+0001b0c0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73  .<title>module_s\n+0001b0d0: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73  rc_gromacs_tools\n+0001b0e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0001b0f0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n+0001b100: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n+0001b110: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+0001b120: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n+0001b130: 4d33 3337 2e38 352c 2d31 3231 322e 3238  M337.85,-1212.28\n+0001b140: 4333 3638 2e37 372c 2d31 3138 382e 3638  C368.77,-1188.68\n+0001b150: 2034 3435 2e35 372c 2d31 3133 302e 3539   445.57,-1130.59\n+0001b160: 2035 3131 2e39 312c 2d31 3038 342e 3739   511.91,-1084.79\n+0001b170: 2036 3030 2e31 322c 2d31 3032 332e 3920   600.12,-1023.9 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6964 3d22 6564 6765 3137 3722 2063 6c61  id=\"edge177\" cla\n+0001b270: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+0001b280: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+0001b290: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n+0001b2a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0001b2b0: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69  omacs_mdrunutili\n+0001b2c0: 7479 3c2f 7469 746c 653e 0a3c 7061 7468  ty</title>.<path\n+0001b2d0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+0001b2e0: 6f6b 653d 2223 3238 3266 6363 2220 643d  oke=\"#282fcc\" d=\n+0001b2f0: 224d 3134 3732 2e33 2c2d 3533 382e 3131  \"M1472.3,-538.11\n+0001b300: 4331 3539 322e 3734 2c2d 3536 302e 3032  C1592.74,-560.02\n+0001b310: 2032 3035 332e 3931 2c2d 3635 362e 3220   2053.91,-656.2 \n+0001b320: 3230 3533 2e39 312c 2d37 3832 2e38 3820  2053.91,-782.88 \n+0001b330: 3230 3533 2e39 312c 2d38 3437 2e37 3520  2053.91,-847.75 \n+0001b340: 3230 3533 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322c 2d31 3037  .09 1977.62,-107\n+0001b430: 362e 3139 222f 3e0a 3c2f 673e 0a3c 212d  6.19\"/>.</g>.<!-\n+0001b440: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+0001b450: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n+0001b460: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0001b470: 6f6d 6163 735f 7377 6170 202d 2d3e 0a3c  omacs_swap -->.<\n+0001b480: 6720 6964 3d22 6564 6765 3138 3222 2063  g id=\"edge182\" c\n+0001b490: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+0001b4a0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+0001b4b0: 726f 6d61 6373 5f6d 6472 756e 2623 3435  romacs_mdrun&#45\n+0001b4c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0001b4d0: 6772 6f6d 6163 735f 7377 6170 3c2f 7469  gromacs_swap</ti\n+0001b4e0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+0001b4f0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+0001b500: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n+0001b510: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+0001b520: 3d22 4d31 3437 312e 3036 2c2d 3532 352e  =\"M1471.06,-525.\n+0001b530: 3632 4331 3438 312e 3334 2c2d 3532 332e  62C1481.34,-523.\n+0001b540: 3437 2031 3439 332e 3135 2c2d 3532 312e  47 1493.15,-521.\n+0001b550: 3035 2031 3530 332e 3931 2c2d 3531 382e  05 1503.91,-518.\n+0001b560: 3936 2031 3539 322e 3134 2c2d 3530 312e  96 1592.14,-501.\n+0001b570: 3834 2031 3631 352e 3437 2c2d 3530 332e  84 1615.47,-503.\n+0001b580: 3735 2031 3730 322e 3931 2c2d 3438 322e  75 1702.91,-482.\n+0001b590: 3936 2031 3730 362e 3136 2c2d 3438 322e  96 1706.16,-482.\n+0001b5a0: 3139 2031 3730 392e 3534 2c2d 3438 312e  19 1709.54,-481.\n+0001b5b0: 3331 2031 3731 322e 392c 2d34 3830 2e33  31 1712.9,-480.3\n+0001b5c0: 3922 2f3e 0a3c 706f 6c79 676f 6e20 6669  9\"/>.<polygon fi\n+0001b5d0: 6c6c 3d22 2332 3832 6663 6322 2073 7472  ll=\"#282fcc\" str\n+0001b5e0: 6f6b 653d 2223 3238 3266 6363 2220 706f  oke=\"#282fcc\" po\n+0001b5f0: 696e 7473 3d22 3137 3134 2e31 342c 2d34  ints=\"1714.14,-4\n+0001b600: 3833 2e36 3820 3137 3232 2e38 2c2d 3437  83.68 1722.8,-47\n+0001b610: 372e 3536 2031 3731 322e 3232 2c2d 3437  7.56 1712.22,-47\n+0001b620: 362e 3935 2031 3731 342e 3134 2c2d 3438  6.95 1714.14,-48\n+0001b630: 332e 3638 222f 3e0a 3c2f 673e 0a3c 212d  3.68\"/>.</g>.<!-\n+0001b640: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f  - module_src_gro\n+0001b650: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n+0001b660: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0001b670: 6f6d 6163 735f 6d64 7479 7065 7320 2d2d  omacs_mdtypes --\n+0001b680: 3e0a 3c67 2069 643d 2265 6467 6531 3738  >.<g id=\"edge178\n+0001b690: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+0001b6a0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+0001b6b0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26  c_gromacs_mdrun&\n+0001b6c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  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16\n+0001b7b0: 3831 2e37 2c2d 3932 392e 3437 2031 3537  81.7,-929.47 157\n+0001b7c0: 302e 3133 2c2d 3938 332e 3332 2031 3536  0.13,-983.32 156\n+0001b7d0: 322e 3931 2c2d 3938 352e 3932 2031 3530  2.91,-985.92 150\n+0001b7e0: 342e 3533 2c2d 3130 3036 2e39 3420 3134  4.53,-1006.94 14\n+0001b7f0: 3333 2e39 352c 2d31 3032 302e 3631 2031  33.95,-1020.61 1\n+0001b800: 3338 392e 3233 2c2d 3130 3237 2e39 222f  389.23,-1027.9\"/\n+0001b810: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+0001b820: 2272 6564 2220 7374 726f 6b65 3d22 7265  \"red\" stroke=\"re\n+0001b830: 6422 2070 6f69 6e74 733d 2231 3338 382e  d\" points=\"1388.\n+0001b840: 362c 2d31 3032 342e 3436 2031 3337 392e  6,-1024.46 1379.\n+0001b850: 3237 2c2d 3130 3239 2e34 3920 3133 3839  27,-1029.49 1389\n+0001b860: 2e37 2c2d 3130 3331 2e33 3720 3133 3838  .7,-1031.37 1388\n+0001b870: 2e36 2c2d 3130 3234 2e34 3622 2f3e 0a3c  .6,-1024.46\"/>.<\n+0001b880: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+0001b890: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n+0001b8a0: 6e26 2334 353b 2667 743b 6d6f 6475 6c65  n&#45;&gt;module\n+0001b8b0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78  _src_gromacs_gmx\n+0001b8c0: 6c69 6220 2d2d 3e0a 3c67 2069 643d 2265  lib -->.<g id=\"e\n+0001b8d0: 6467 6531 3732 2220 636c 6173 733d 2265  dge172\" class=\"e\n+0001b8e0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+0001b8f0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001b900: 6d64 7275 6e26 2334 353b 2667 743b 6d6f  mdrun&#45;&gt;mo\n+0001b910: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001b920: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a  _gmxlib</title>.\n+0001b930: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+0001b940: 2220 7374 726f 6b65 3d22 2362 6662 6662  \" stroke=\"#bfbfb\n+0001b950: 6622 2064 3d22 4d31 3436 372e 3236 2c2d  f\" d=\"M1467.26,-\n+0001b960: 3532 332e 3334 4331 3438 392e 342c 2d35  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1649.91,-279.\n+0001ba50: 3932 2031 3634 392e 3931 2c2d 3234 302e  92 1649.91,-240.\n+0001ba60: 3831 2031 3632 362e 3937 2c2d 3230 302e  81 1626.97,-200.\n+0001ba70: 3131 2031 3631 302e 3939 2c2d 3137 362e  11 1610.99,-176.\n+0001ba80: 3531 222f 3e0a 3c70 6f6c 7967 6f6e 2066  51\"/>.<polygon f\n+0001ba90: 696c 6c3d 2223 6266 6266 6266 2220 7374  ill=\"#bfbfbf\" st\n+0001baa0: 726f 6b65 3d22 2362 6662 6662 6622 2070  roke=\"#bfbfbf\" p\n+0001bab0: 6f69 6e74 733d 2231 3631 332e 3637 2c2d  oints=\"1613.67,-\n+0001bac0: 3137 342e 3234 2031 3630 352e 3037 2c2d  174.24 1605.07,-\n+0001bad0: 3136 382e 3036 2031 3630 372e 3934 2c2d  168.06 1607.94,-\n+0001bae0: 3137 382e 3236 2031 3631 332e 3637 2c2d  178.26 1613.67,-\n+0001baf0: 3137 342e 3234 222f 3e0a 3c2f 673e 0a3c  174.24\"/>.</g>.<\n+0001bb00: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+0001bb10: 726f 6d61 6373 5f6d 6472 756e 2623 3435  romacs_mdrun&#45\n+0001bb20: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0001bb30: 6772 6f6d 6163 735f 6e62 6e78 6d20 2d2d  gromacs_nbnxm --\n+0001bb40: 3e0a 3c67 2069 643d 2265 6467 6531 3830  >.<g id=\"edge180\n+0001bb50: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+0001bb60: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+0001bb70: 635f 6772 6f6d 6163 735f 6d64 7275 6e26  c_gromacs_mdrun&\n+0001bb80: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001bb90: 7263 5f67 726f 6d61 6373 5f6e 626e 786d  rc_gromacs_nbnxm\n+0001bba0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+0001bbb0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+0001bbc0: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n+0001bbd0: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+0001bbe0: 3222 2064 3d22 4d31 3432 382e 3735 2c2d  2\" d=\"M1428.75,-\n+0001bbf0: 3532 302e 3339 4331 3430 372e 3138 2c2d  520.39C1407.18,-\n+0001bc00: 3530 342e 3939 2031 3336 362e 3131 2c2d  504.99 1366.11,-\n+0001bc10: 3437 362e 3539 2031 3332 382e 3931 2c2d  476.59 1328.91,-\n+0001bc20: 3435 362e 3039 2031 3231 302e 3835 2c2d  456.09 1210.85,-\n+0001bc30: 3339 312e 3034 2031 3138 322e 3135 2c2d  391.04 1182.15,-\n+0001bc40: 3336 382e 3636 2031 3035 322e 3931 2c2d  368.66 1052.91,-\n+0001bc50: 3333 302e 3335 2039 3534 2e37 352c 2d33  330.35 954.75,-3\n+0001bc60: 3031 2e32 3520 3833 342e 3338 2c2d 3238  01.25 834.38,-28\n+0001bc70: 392e 3131 2037 3731 2e39 362c 2d32 3834  9.11 771.96,-284\n+0001bc80: 2e34 3722 2f3e 0a3c 706f 6c79 676f 6e20  .47\"/>.<polygon \n+0001bc90: 6669 6c6c 3d22 2332 3832 6663 6322 2073  fill=\"#282fcc\" s\n+0001bca0: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+0001bcb0: 706f 696e 7473 3d22 3737 312e 3934 2c2d  points=\"771.94,-\n+0001bcc0: 3238 302e 3937 2037 3631 2e37 322c 2d32  280.97 761.72,-2\n+0001bcd0: 3833 2e37 3420 3737 312e 3435 2c2d 3238  83.74 771.45,-28\n+0001bce0: 372e 3935 2037 3731 2e39 342c 2d32 3830  7.95 771.94,-280\n+0001bcf0: 2e39 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .97\"/>.</g>.<!--\n+0001bd00: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n+0001bd10: 6163 735f 6d64 7275 6e26 2334 353b 2667  acs_mdrun&#45;&g\n+0001bd20: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0001bd30: 6d61 6373 5f68 6172 6477 6172 6520 2d2d  macs_hardware --\n+0001bd40: 3e0a 3c67 2069 643d 2265 6467 6531 3834  >.<g id=\"edge184\n+0001bd50: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+0001bd60: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+0001bd70: 635f 6772 6f6d 6163 735f 6d64 7275 6e26  c_gromacs_mdrun&\n+0001bd80: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001bd90: 7263 5f67 726f 6d61 6373 5f68 6172 6477  rc_gromacs_hardw\n+0001bda0: 6172 653c 2f74 6974 6c65 3e0a 3c70 6174  are</title>.<pat\n+0001bdb0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+0001bdc0: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n+0001bdd0: 3d22 4d31 3431 332e 3135 2c2d 3533 302e  =\"M1413.15,-530.\n+0001bde0: 3333 4331 3331 372e 3638 2c2d 3532 362e  33C1317.68,-526.\n+0001bdf0: 3733 2031 3033 312e 3232 2c2d 3531 332e  73 1031.22,-513.\n+0001be00: 3434 2031 3030 332e 3931 2c2d 3438 322e  44 1003.91,-482.\n+0001be10: 3936 2039 3931 2e33 312c 2d34 3638 2e39  96 991.31,-468.9\n+0001be20: 2039 3933 2e35 362c 2d34 3436 2e37 3520   993.56,-446.75 \n+0001be30: 3939 372e 3931 2c2d 3433 302e 3122 2f3e  997.91,-430.1\"/>\n+0001be40: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+0001be50: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n+0001be60: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n+0001be70: 3d22 3130 3031 2e33 392c 2d34 3330 2e36  =\"1001.39,-430.6\n+0001be80: 3820 3130 3030 2e39 342c 2d34 3230 2e31  8 1000.94,-420.1\n+0001be90: 2039 3934 2e36 392c 2d34 3238 2e36 3520   994.69,-428.65 \n+0001bea0: 3130 3031 2e33 392c 2d34 3330 2e36 3822  1001.39,-430.68\"\n+0001beb0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+0001bec0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001bed0: 6d64 7275 6e26 2334 353b 2667 743b 6d6f  mdrun&#45;&gt;mo\n+0001bee0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001bef0: 5f6d 696d 6963 202d 2d3e 0a3c 6720 6964  _mimic -->.<g id\n+0001bf00: 3d22 6564 6765 3138 3722 2063 6c61 7373  =\"edge187\" class\n+0001bf10: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+0001bf20: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001bf30: 6373 5f6d 6472 756e 2623 3435 3b26 6774  cs_mdrun&#45;&gt\n+0001bf40: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0001bf50: 6163 735f 6d69 6d69 633c 2f74 6974 6c65  acs_mimic</title\n+0001bf60: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+0001bf70: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" stroke=\"#bfb\n+0001bf80: 6662 6622 2064 3d22 4d31 3431 322e 3539  fbf\" d=\"M1412.59\n+0001bf90: 2c2d 3533 312e 3337 4331 3332 312e 3637  ,-531.37C1321.67\n+0001bfa0: 2c2d 3533 302e 3739 2031 3035 302e 3135  ,-530.79 1050.15\n+0001bfb0: 2c2d 3532 352e 3333 2038 3239 2e39 312c  ,-525.33 829.91,\n+0001bfc0: 2d34 3832 2e39 3620 3832 372e 3431 2c2d  -482.96 827.41,-\n+0001bfd0: 3438 322e 3438 2038 3234 2e38 352c 2d34  482.48 824.85,-4\n+0001bfe0: 3831 2e39 2038 3232 2e32 382c 2d34 3831  81.9 822.28,-481\n+0001bff0: 2e32 3522 2f3e 0a3c 706f 6c79 676f 6e20  .25\"/>.<polygon \n+0001c000: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n+0001c010: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+0001c020: 706f 696e 7473 3d22 3832 332e 312c 2d34  points=\"823.1,-4\n+0001c030: 3737 2e38 3520 3831 322e 3533 2c2d 3437  77.85 812.53,-47\n+0001c040: 382e 3532 2038 3231 2e32 312c 2d34 3834  8.52 821.21,-484\n+0001c050: 2e35 3920 3832 332e 312c 2d34 3737 2e38  .59 823.1,-477.8\n+0001c060: 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  5\"/>.</g>.<!-- m\n+0001c070: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001c080: 735f 6d64 7275 6e26 2334 353b 2667 743b  s_mdrun&#45;&gt;\n+0001c090: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001c0a0: 6373 5f69 6d64 202d 2d3e 0a3c 6720 6964  cs_imd -->.<g id\n+0001c0b0: 3d22 6564 6765 3137 3422 2063 6c61 7373  =\"edge174\" class\n+0001c0c0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+0001c0d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001c0e0: 6373 5f6d 6472 756e 2623 3435 3b26 6774  cs_mdrun&#45;&gt\n+0001c0f0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0001c100: 6163 735f 696d 643c 2f74 6974 6c65 3e0a  acs_imd</title>.\n+0001c110: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+0001c120: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+0001c130: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n+0001c140: 7261 793d 2235 2c32 2220 643d 224d 3134  ray=\"5,2\" d=\"M14\n+0001c150: 3733 2e33 332c 2d35 3237 2e39 3143 3135  73.33,-527.91C15\n+0001c160: 3434 2e32 382c 2d35 3139 2e33 3920 3137  44.28,-519.39 17\n+0001c170: 3233 2e32 382c 2d34 3937 2e31 3520 3137  23.28,-497.15 17\n+0001c180: 3831 2e39 312c 2d34 3832 2e39 3620 3137  81.91,-482.96 17\n+0001c190: 3833 2e36 332c 2d34 3832 2e35 3420 3137  83.63,-482.54 17\n+0001c1a0: 3835 2e33 392c 2d34 3832 2e30 3820 3137  85.39,-482.08 17\n+0001c1b0: 3837 2e31 352c 2d34 3831 2e35 3822 2f3e  87.15,-481.58\"/>\n+0001c1c0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+0001c1d0: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n+0001c1e0: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n+0001c1f0: 3d22 3137 3838 2e36 372c 2d34 3834 2e37  =\"1788.67,-484.7\n+0001c200: 3720 3137 3937 2e31 372c 2d34 3738 2e34  7 1797.17,-478.4\n+0001c210: 3420 3137 3836 2e35 382c 2d34 3738 2e30  4 1786.58,-478.0\n+0001c220: 3920 3137 3838 2e36 372c 2d34 3834 2e37  9 1788.67,-484.7\n+0001c230: 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  7\"/>.</g>.<!-- m\n+0001c240: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001c250: 735f 6d64 7275 6e26 2334 353b 2667 743b  s_mdrun&#45;&gt;\n+0001c260: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001c270: 6373 5f65 7761 6c64 202d 2d3e 0a3c 6720  cs_ewald -->.<g \n+0001c280: 6964 3d22 6564 6765 3137 3022 2063 6c61  id=\"edge170\" cla\n+0001c290: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+0001c2a0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+0001c2b0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n+0001c2c0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0001c2d0: 6f6d 6163 735f 6577 616c 643c 2f74 6974  omacs_ewald</tit\n+0001c2e0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+0001c2f0: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265  none\" stroke=\"re\n+0001c300: 6422 2064 3d22 4d31 3431 332e 3334 2c2d  d\" d=\"M1413.34,-\n+0001c310: 3533 352e 3137 4331 3331 342e 3032 2c2d  535.17C1314.02,-\n+0001c320: 3534 312e 3536 2039 3932 2e32 322c 2d35  541.56 992.22,-5\n+0001c330: 3637 2e33 3220 3733 382e 3931 2c2d 3634  67.32 738.91,-64\n+0001c340: 342e 3720 3636 362e 3233 2c2d 3636 362e  4.7 666.23,-666.\n+0001c350: 3920 3634 342e 3533 2c2d 3636 372e 3538  9 644.53,-667.58\n+0001c360: 2035 3739 2e39 312c 2d37 3037 2e35 3720   579.91,-707.57 \n+0001c370: 3531 392e 3839 2c2d 3734 342e 3731 2034  519.89,-744.71 4\n+0001c380: 3939 2e33 312c 2d37 3634 2e36 3620 3438  99.31,-764.66 48\n+0001c390: 322e 3931 2c2d 3833 332e 3331 2034 3733  2.91,-833.31 473\n+0001c3a0: 2e36 332c 2d38 3732 2e31 3420 3437 342e  .63,-872.14 474.\n+0001c3b0: 3835 2c2d 3838 332e 3333 2034 3738 2e39  85,-883.33 478.9\n+0001c3c0: 312c 2d39 3233 2e30 3520 3437 392e 3738  1,-923.05 479.78\n+0001c3d0: 2c2d 3933 312e 3620 3438 312e 352c 2d39  ,-931.6 481.5,-9\n+0001c3e0: 3430 2e38 3720 3438 332e 3237 2c2d 3934  40.87 483.27,-94\n+0001c3f0: 382e 3939 222f 3e0a 3c70 6f6c 7967 6f6e  8.99\"/>.<polygon\n+0001c400: 2066 696c 6c3d 2272 6564 2220 7374 726f   fill=\"red\" stro\n+0001c410: 6b65 3d22 7265 6422 2070 6f69 6e74 733d  ke=\"red\" points=\n+0001c420: 2234 3739 2e38 392c 2d39 3439 2e39 2034  \"479.89,-949.9 4\n+0001c430: 3835 2e35 362c 2d39 3538 2e38 3520 3438  85.56,-958.85 48\n+0001c440: 362e 3731 2c2d 3934 382e 3332 2034 3739  6.71,-948.32 479\n+0001c450: 2e38 392c 2d39 3439 2e39 222f 3e0a 3c2f  .89,-949.9\"/>.</\n+0001c460: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0001c470: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n+0001c480: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0001c490: 7372 635f 6772 6f6d 6163 735f 7261 6e64  src_gromacs_rand\n+0001c4a0: 6f6d 202d 2d3e 0a3c 6720 6964 3d22 6564  om -->.<g id=\"ed\n+0001c4b0: 6765 3138 3622 2063 6c61 7373 3d22 6564  ge186\" class=\"ed\n+0001c4c0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+0001c4d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+0001c4e0: 6472 756e 2623 3435 3b26 6774 3b6d 6f64  drun&#45;&gt;mod\n+0001c4f0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001c500: 7261 6e64 6f6d 3c2f 7469 746c 653e 0a3c  random</title>.<\n+0001c510: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+0001c520: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n+0001c530: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n+0001c540: 3d22 352c 3222 2064 3d22 4d31 3436 342e  =\"5,2\" d=\"M1464.\n+0001c550: 3837 2c2d 3532 322e 3239 4331 3438 332e  87,-522.29C1483.\n+0001c560: 3333 2c2d 3531 332e 3720 3135 3130 2e34  33,-513.7 1510.4\n+0001c570: 2c2d 3439 392e 3636 2031 3533 302e 3931  ,-499.66 1530.91\n+0001c580: 2c2d 3438 322e 3936 2031 3535 302e 3638  ,-482.96 1550.68\n+0001c590: 2c2d 3436 362e 3836 2031 3536 392e 3237  ,-466.86 1569.27\n+0001c5a0: 2c2d 3434 342e 3238 2031 3538 312e 3436  ,-444.28 1581.46\n+0001c5b0: 2c2d 3432 382e 3035 222f 3e0a 3c70 6f6c  ,-428.05\"/>.<pol\n+0001c5c0: 7967 6f6e 2066 696c 6c3d 2262 6c61 636b  ygon fill=\"black\n+0001c5d0: 2220 7374 726f 6b65 3d22 626c 6163 6b22  \" stroke=\"black\"\n+0001c5e0: 2070 6f69 6e74 733d 2231 3538 342e 3434   points=\"1584.44\n+0001c5f0: 2c2d 3432 392e 3920 3135 3837 2e35 342c  ,-429.9 1587.54,\n+0001c600: 2d34 3139 2e37 3720 3135 3738 2e38 2c2d  -419.77 1578.8,-\n+0001c610: 3432 352e 3736 2031 3538 342e 3434 2c2d  425.76 1584.44,-\n+0001c620: 3432 392e 3922 2f3e 0a3c 2f67 3e0a 3c21  429.9\"/>.</g>.<!\n+0001c630: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+0001c640: 6f6d 6163 735f 6d64 7275 6e26 2334 353b  omacs_mdrun&#45;\n+0001c650: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0001c660: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69  romacs_commandli\n+0001c670: 6e65 202d 2d3e 0a3c 6720 6964 3d22 6564  ne -->.<g id=\"ed\n+0001c680: 6765 3136 3622 2063 6c61 7373 3d22 6564  ge166\" class=\"ed\n+0001c690: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+0001c6a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+0001c6b0: 6472 756e 2623 3435 3b26 6774 3b6d 6f64  drun&#45;&gt;mod\n+0001c6c0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001c6d0: 636f 6d6d 616e 646c 696e 653c 2f74 6974  commandline</tit\n+0001c6e0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+0001c6f0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n+0001c700: 3832 6663 6322 2064 3d22 4d31 3436 362e  82fcc\" d=\"M1466.\n+0001c710: 3631 2c2d 3532 3343 3134 3730 2e39 392c  61,-523C1470.99,\n+0001c720: 2d35 3231 2e35 3420 3134 3735 2e35 362c  -521.54 1475.56,\n+0001c730: 2d35 3230 2e31 3220 3134 3739 2e39 312c  -520.12 1479.91,\n+0001c740: 2d35 3138 2e39 3620 3135 3632 2e31 2c2d  -518.96 1562.1,-\n+0001c750: 3439 372e 3032 2031 3539 392e 3934 2c2d  497.02 1599.94,-\n+0001c760: 3533 342e 3132 2031 3636 372e 3931 2c2d  534.12 1667.91,-\n+0001c770: 3438 322e 3936 2031 3734 372e 3936 2c2d  482.96 1747.96,-\n+0001c780: 3432 322e 3720 3137 3639 2e39 312c 2d33  422.7 1769.91,-3\n+0001c790: 3832 2e31 3120 3137 3639 2e39 312c 2d32  82.11 1769.91,-2\n+0001c7a0: 3831 2e39 3220 3137 3639 2e39 312c 2d32  81.92 1769.91,-2\n+0001c7b0: 3831 2e39 3220 3137 3639 2e39 312c 2d32  81.92 1769.91,-2\n+0001c7c0: 3831 2e39 3220 3137 3639 2e39 312c 2d32  81.92 1769.91,-2\n+0001c7d0: 3137 2e30 3520 3137 3639 2e39 312c 2d31  17.05 1769.91,-1\n+0001c7e0: 3439 2e31 3220 3137 3031 2e32 342c 2d31  49.12 1701.24,-1\n+0001c7f0: 3633 2e35 3620 3136 3336 2e39 312c 2d31  63.56 1636.91,-1\n+0001c800: 3431 2e37 3420 3136 3333 2e34 362c 2d31  41.74 1633.46,-1\n+0001c810: 3430 2e35 3720 3134 3431 2e34 342c 2d31  40.57 1441.44,-1\n+0001c820: 3134 2e31 3120 3133 3434 2e35 372c 2d31  14.11 1344.57,-1\n+0001c830: 3030 2e38 222f 3e0a 3c70 6f6c 7967 6f6e  00.8\"/>.<polygon\n+0001c840: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" 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2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0001c940: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74  romacs_domdec</t\n+0001c950: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+0001c960: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+0001c970: 2332 3832 6663 6322 2064 3d22 4d31 3431  #282fcc\" d=\"M141\n+0001c980: 342e 3636 2c2d 3533 372e 3438 4331 3335  4.66,-537.48C135\n+0001c990: 382e 3639 2c2d 3534 342e 3733 2031 3233  8.69,-544.73 123\n+0001c9a0: 332e 3531 2c2d 3536 312e 3035 2031 3132  3.51,-561.05 112\n+0001c9b0: 382e 3931 2c2d 3538 312e 3833 2031 3132  8.91,-581.83 112\n+0001c9c0: 332e 3132 2c2d 3538 322e 3938 2031 3131  3.12,-582.98 111\n+0001c9d0: 362e 3939 2c2d 3538 342e 3336 2031 3131  6.99,-584.36 111\n+0001c9e0: 302e 3933 2c2d 3538 352e 3738 222f 3e0a  0.93,-585.78\"/>.\n+0001c9f0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223  <polygon fill=\"#\n+0001ca00: 3238 3266 6363 2220 7374 726f 6b65 3d22  282fcc\" stroke=\"\n+0001ca10: 2332 3832 6663 6322 2070 6f69 6e74 733d  #282fcc\" points=\n+0001ca20: 2231 3130 392e 3739 2c2d 3538 322e 3436  \"1109.79,-582.46\n+0001ca30: 2031 3130 302e 3837 2c2d 3538 382e 3137   1100.87,-588.17\n+0001ca40: 2031 3131 312e 3431 2c2d 3538 392e 3237   1111.41,-589.27\n+0001ca50: 2031 3130 392e 3739 2c2d 3538 322e 3436   1109.79,-582.46\n+0001ca60: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+0001ca70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001ca80: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d  _mdrun&#45;&gt;m\n+0001ca90: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001caa0: 735f 6669 6c65 696f 202d 2d3e 0a3c 6720  s_fileio -->.<g \n+0001cab0: 6964 3d22 6564 6765 3137 3122 2063 6c61  id=\"edge171\" cla\n+0001cac0: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n+0001cad0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+0001cae0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26  macs_mdrun&#45;&\n+0001caf0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+0001cb00: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469  omacs_fileio</ti\n+0001cb10: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+0001cb20: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+0001cb30: 6266 6266 6266 2220 643d 224d 3134 3336  bfbfbf\" d=\"M1436\n+0001cb40: 2e33 2c2d 3534 352e 3533 4331 3432 362e  .3,-545.53C1426.\n+0001cb50: 3833 2c2d 3536 302e 3533 2031 3431 302e  83,-560.53 1410.\n+0001cb60: 3036 2c2d 3538 362e 3735 2031 3339 342e  06,-586.75 1394.\n+0001cb70: 3931 2c2d 3630 382e 3720 3133 3735 2e32  91,-608.7 1375.2\n+0001cb80: 342c 2d36 3337 2e31 3920 3133 3734 2e34  4,-637.19 1374.4\n+0001cb90: 342c 2d36 3438 2e31 3820 3133 3438 2e39  4,-648.18 1348.9\n+0001cba0: 312c 2d36 3731 2e35 3720 3133 3030 2e36  1,-671.57 1300.6\n+0001cbb0: 342c 2d37 3135 2e37 3920 3132 3332 2e31  4,-715.79 1232.1\n+0001cbc0: 382c 2d37 3531 2e36 3520 3131 3933 2e38  8,-751.65 1193.8\n+0001cbd0: 332c 2d37 3639 2e38 3622 2f3e 0a3c 706f  3,-769.86\"/>.<po\n+0001cbe0: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662  lygon fill=\"#bfb\n+0001cbf0: 6662 6622 2073 7472 6f6b 653d 2223 6266  fbf\" stroke=\"#bf\n+0001cc00: 6266 6266 2220 706f 696e 7473 3d22 3131  bfbf\" points=\"11\n+0001cc10: 3931 2e38 382c 2d37 3636 2e39 2031 3138  91.88,-766.9 118\n+0001cc20: 342e 332c 2d37 3734 2e33 3120 3131 3934  4.3,-774.31 1194\n+0001cc30: 2e38 342c 2d37 3733 2e32 3420 3131 3931  .84,-773.24 1191\n+0001cc40: 2e38 382c 2d37 3636 2e39 222f 3e0a 3c2f  .88,-766.9\"/>.</\n+0001cc50: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+0001cc60: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n+0001cc70: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+0001cc80: 7372 635f 6772 6f6d 6163 735f 6770 755f  src_gromacs_gpu_\n+0001cc90: 7574 696c 7320 2d2d 3e0a 3c67 2069 643d  utils -->.<g id=\n+0001cca0: 2265 6467 6531 3733 2220 636c 6173 733d  \"edge173\" class=\n+0001ccb0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+0001ccc0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001ccd0: 735f 6d64 7275 6e26 2334 353b 2667 743b  s_mdrun&#45;&gt;\n+0001cce0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001ccf0: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469  cs_gpu_utils</ti\n+0001cd00: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+0001cd10: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n+0001cd20: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n+0001cd30: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+0001cd40: 3d22 4d31 3432 362e 3135 2c2d 3532 312e  =\"M1426.15,-521.\n+0001cd50: 3143 3133 3938 2e38 322c 2d35 3035 2e35  1C1398.82,-505.5\n+0001cd60: 3620 3133 3434 2e35 332c 2d34 3735 2e38  6 1344.53,-475.8\n+0001cd70: 3220 3132 3935 2e39 312c 2d34 3536 2e30  2 1295.91,-456.0\n+0001cd80: 3920 3131 3531 2e36 362c 2d33 3937 2e35  9 1151.66,-397.5\n+0001cd90: 3520 3936 382e 3737 2c2d 3336 342e 3420  5 968.77,-364.4 \n+0001cda0: 3838 352e 3234 2c2d 3335 312e 3334 222f  885.24,-351.34\"/\n+0001cdb0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d  >.<polygon fill=\n+0001cdc0: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+0001cdd0: 3d22 2332 3832 6663 6322 2070 6f69 6e74  =\"#282fcc\" point\n+0001cde0: 733d 2238 3835 2e37 332c 2d33 3437 2e38  s=\"885.73,-347.8\n+0001cdf0: 3820 3837 352e 3331 2c2d 3334 392e 3831  8 875.31,-349.81\n+0001ce00: 2038 3834 2e36 362c 2d33 3534 2e38 2038   884.66,-354.8 8\n+0001ce10: 3835 2e37 332c 2d33 3437 2e38 3822 2f3e  85.73,-347.88\"/>\n+0001ce20: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+0001ce30: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+0001ce40: 7275 6e26 2334 353b 2667 743b 6d6f 6475  run&#45;&gt;modu\n+0001ce50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c  le_src_gromacs_l\n+0001ce60: 6973 7465 645f 666f 7263 6573 202d 2d3e  isted_forces -->\n+0001ce70: 0a3c 6720 6964 3d22 6564 6765 3137 3522  .<g id=\"edge175\"\n+0001ce80: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+0001ce90: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+0001cea0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623  _gromacs_mdrun&#\n+0001ceb0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+0001cec0: 635f 6772 6f6d 6163 735f 6c69 7374 6564  c_gromacs_listed\n+0001ced0: 5f66 6f72 6365 733c 2f74 6974 6c65 3e0a  _forces</title>.\n+0001cee0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+0001cef0: 2220 7374 726f 6b65 3d22 2332 3832 6663  \" stroke=\"#282fc\n+0001cf00: 6322 2073 7472 6f6b 652d 6461 7368 6172  c\" stroke-dashar\n+0001cf10: 7261 793d 2235 2c32 2220 643d 224d 3134  ray=\"5,2\" d=\"M14\n+0001cf20: 3331 2e38 332c 2d35 3139 2e39 4331 3431  31.83,-519.9C141\n+0001cf30: 352e 3234 2c2d 3530 342e 3432 2031 3338  5.24,-504.42 138\n+0001cf40: 342e 3133 2c2d 3437 362e 3436 2031 3335  4.13,-476.46 135\n+0001cf50: 342e 3931 2c2d 3435 362e 3039 2031 3138  4.91,-456.09 118\n+0001cf60: 392e 3337 2c2d 3334 302e 3639 2031 3133  9.37,-340.69 113\n+0001cf70: 352e 312c 2d33 3235 2e37 3720 3934 312e  5.1,-325.77 941.\n+0001cf80: 3931 2c2d 3236 372e 3438 2038 3739 2e35  91,-267.48 879.5\n+0001cf90: 332c 2d32 3438 2e36 3620 3830 352e 3735  3,-248.66 805.75\n+0001cfa0: 2c2d 3233 342e 3931 2037 3537 2e30 362c  ,-234.91 757.06,\n+0001cfb0: 2d32 3236 2e39 3722 2f3e 0a3c 706f 6c79  -226.97\"/>.<poly\n+0001cfc0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663  gon fill=\"#282fc\n+0001cfd0: 6322 2073 7472 6f6b 653d 2223 3238 3266  c\" stroke=\"#282f\n+0001cfe0: 6363 2220 706f 696e 7473 3d22 3735 372e  cc\" points=\"757.\n+0001cff0: 3439 2c2d 3232 332e 3520 3734 372e 3036  49,-223.5 747.06\n+0001d000: 2c2d 3232 352e 3337 2037 3536 2e33 382c  ,-225.37 756.38,\n+0001d010: 2d32 3330 2e34 3120 3735 372e 3439 2c2d  -230.41 757.49,-\n+0001d020: 3232 332e 3522 2f3e 0a3c 2f67 3e0a 3c21  223.5\"/>.</g>.<!\n+0001d030: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n+0001d040: 6f6d 6163 735f 6d64 7275 6e26 2334 353b  omacs_mdrun&#45;\n+0001d050: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0001d060: 726f 6d61 6373 5f74 6173 6b61 7373 6967  romacs_taskassig\n+0001d070: 6e6d 656e 7420 2d2d 3e0a 3c67 2069 643d  nment -->.<g id=\n+0001d080: 2265 6467 6531 3833 2220 636c 6173 733d  \"edge183\" class=\n+0001d090: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n+0001d0a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001d0b0: 735f 6d64 7275 6e26 2334 353b 2667 743b  s_mdrun&#45;&gt;\n+0001d0c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001d0d0: 6373 5f74 6173 6b61 7373 6967 6e6d 656e  cs_taskassignmen\n+0001d0e0: 743c 2f74 6974 6c65 3e0a 3c70 6174 6820  t</title>.<path \n+0001d0f0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+0001d100: 6b65 3d22 7265 6422 2064 3d22 4d31 3431  ke=\"red\" d=\"M141\n+0001d110: 382e 3437 2c2d 3532 342e 3239 4331 3338  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le_src_gromacs_m\n+0001d3c0: 646c 6962 202d 2d3e 0a3c 6720 6964 3d22  dlib -->.<g id=\"\n+0001d3d0: 6564 6765 3137 3622 2063 6c61 7373 3d22  edge176\" class=\"\n+0001d3e0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+0001d3f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001d400: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d  _mdrun&#45;&gt;m\n+0001d410: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001d420: 735f 6d64 6c69 623c 2f74 6974 6c65 3e0a  s_mdlib</title>.\n+0001d430: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65  <path fill=\"none\n+0001d440: 2220 7374 726f 6b65 3d22 7265 6422 2064  \" stroke=\"red\" d\n+0001d450: 3d22 4d31 3432 322e 3039 2c2d 3534 322e  =\"M1422.09,-542.\n+0001d460: 3232 4331 3335 312e 3735 2c2d 3537 312e  22C1351.75,-571.\n+0001d470: 3031 2031 3132 352e 3532 2c2d 3636 362e  01 1125.52,-666.\n+0001d480: 3334 2039 3531 2e39 312c 2d37 3730 2e34  34 951.91,-770.4\n+0001d490: 3420 3931 312e 332c 2d37 3934 2e37 3920  4 911.3,-794.79 \n+0001d4a0: 3839 392e 3932 2c2d 3830 302e 3337 2038  899.92,-800.37 8\n+0001d4b0: 3635 2e39 312c 2d38 3333 2e33 3120 3835  65.91,-833.31 85\n+0001d4c0: 352e 3032 2c2d 3834 332e 3835 2038 3535  5.02,-843.85 855\n+0001d4d0: 2e37 312c 2d38 3439 2e35 3520 3834 342e  .71,-849.55 844.\n+0001d4e0: 3931 2c2d 3836 302e 3138 2038 3332 2e38  91,-860.18 832.8\n+0001d4f0: 342c 2d38 3732 2e30 3620 3831 372e 3831  4,-872.06 817.81\n+0001d500: 2c2d 3838 332e 3537 2038 3035 2e33 352c  ,-883.57 805.35,\n+0001d510: 2d38 3932 2e33 3922 2f3e 0a3c 706f 6c79  -892.39\"/>.<poly\n+0001d520: 676f 6e20 6669 6c6c 3d22 7265 6422 2073  gon fill=\"red\" s\n+0001d530: 7472 6f6b 653d 2272 6564 2220 706f 696e  troke=\"red\" poin\n+0001d540: 7473 3d22 3830 332e 3034 2c2d 3838 392e  ts=\"803.04,-889.\n+0001d550: 3734 2037 3936 2e38 312c 2d38 3938 2e33  74 796.81,-898.3\n+0001d560: 3120 3830 372e 3032 2c2d 3839 352e 3439  1 807.02,-895.49\n+0001d570: 2038 3033 2e30 342c 2d38 3839 2e37 3422   803.04,-889.74\"\n+0001d580: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+0001d590: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001d5a0: 6d64 7275 6e26 2334 353b 2667 743b 6d6f  mdrun&#45;&gt;mo\n+0001d5b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001d5c0: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f  _modularsimulato\n+0001d5d0: 7220 2d2d 3e0a 3c67 2069 643d 2265 6467  r -->.<g id=\"edg\n+0001d5e0: 6531 3739 2220 636c 6173 733d 2265 6467  e179\" class=\"edg\n+0001d5f0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+0001d600: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+0001d610: 7275 6e26 2334 353b 2667 743b 6d6f 6475  run&#45;&gt;modu\n+0001d620: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+0001d630: 6f64 756c 6172 7369 6d75 6c61 746f 723c  odularsimulator<\n+0001d640: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+0001d650: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+0001d660: 3d22 7265 6422 2064 3d22 4d31 3433 392e  =\"red\" d=\"M1439.\n+0001d670: 3436 2c2d 3534 352e 3931 4331 3433 322e  46,-545.91C1432.\n+0001d680: 3035 2c2d 3535 352e 3536 2031 3431 392e  05,-555.56 1419.\n+0001d690: 3435 2c2d 3536 392e 3332 2031 3430 382e  45,-569.32 1408.\n+0001d6a0: 3931 2c2d 3538 312e 3833 2031 3337 362e  91,-581.83 1376.\n+0001d6b0: 3332 2c2d 3632 302e 3532 2031 3338 302e  32,-620.52 1380.\n+0001d6c0: 3734 2c2d 3634 332e 3134 2031 3333 382e  74,-643.14 1338.\n+0001d6d0: 3931 2c2d 3637 312e 3537 2031 3330 372c  91,-671.57 1307,\n+0001d6e0: 2d36 3933 2e32 3620 3132 3635 2e32 352c  -693.26 1265.25,\n+0001d6f0: 2d37 3035 2e33 3920 3132 3330 2e35 382c  -705.39 1230.58,\n+0001d700: 2d37 3132 2e30 3922 2f3e 0a3c 706f 6c79  -712.09\"/>.<poly\n+0001d710: 676f 6e20 6669 6c6c 3d22 7265 6422 2073  gon fill=\"red\" s\n+0001d720: 7472 6f6b 653d 2272 6564 2220 706f 696e  troke=\"red\" poin\n+0001d730: 7473 3d22 3132 3239 2e37 342c 2d37 3038  ts=\"1229.74,-708\n+0001d740: 2e36 3920 3132 3230 2e35 332c 2d37 3133  .69 1220.53,-713\n+0001d750: 2e39 3220 3132 3331 2c2d 3731 352e 3537  .92 1231,-715.57\n+0001d760: 2031 3232 392e 3734 2c2d 3730 382e 3639   1229.74,-708.69\n+0001d770: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+0001d780: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001d790: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d  _mdrun&#45;&gt;m\n+0001d7a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001d7b0: 735f 6f70 7469 6f6e 7320 2d2d 3e0a 3c67  s_options -->.<g\n+0001d7c0: 2069 643d 2265 6467 6531 3839 2220 636c   id=\"edge189\" cl\n+0001d7d0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+0001d7e0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+0001d7f0: 6f6d 6163 735f 6d64 7275 6e26 2334 353b  omacs_mdrun&#45;\n+0001d800: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0001d810: 726f 6d61 6373 5f6f 7074 696f 6e73 3c2f  romacs_options</\n+0001d820: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+0001d830: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+0001d840: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n+0001d850: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n+0001d860: 2064 3d22 4d31 3433 342e 3334 2c2d 3531   d=\"M1434.34,-51\n+0001d870: 392e 3537 4331 3431 392e 3137 2c2d 3530  9.57C1419.17,-50\n+0001d880: 302e 3132 2031 3338 392e 3839 2c2d 3435  0.12 1389.89,-45\n+0001d890: 392e 3538 2031 3337 352e 3931 2c2d 3432  9.58 1375.91,-42\n+0001d8a0: 302e 3039 2031 3336 342e 3634 2c2d 3338  0.09 1364.64,-38\n+0001d8b0: 382e 3236 2031 3336 352e 3931 2c2d 3337  8.26 1365.91,-37\n+0001d8c0: 382e 3535 2031 3336 352e 3931 2c2d 3334  8.55 1365.91,-34\n+0001d8d0: 342e 3739 2031 3336 352e 3931 2c2d 3334  4.79 1365.91,-34\n+0001d8e0: 342e 3739 2031 3336 352e 3931 2c2d 3334  4.79 1365.91,-34\n+0001d8f0: 342e 3739 2031 3336 352e 3931 2c2d 3135  4.79 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module_s\n+0001d9e0: 7263 5f67 726f 6d61 6373 5f72 6573 7472  rc_gromacs_restr\n+0001d9f0: 6169 6e74 202d 2d3e 0a3c 6720 6964 3d22  aint -->.<g id=\"\n+0001da00: 6e6f 6465 3434 2220 636c 6173 733d 226e  node44\" class=\"n\n+0001da10: 6f64 6522 3e0a 3c74 6974 6c65 3e6d 6f64  ode\">.<title>mod\n+0001da20: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+0001da30: 7265 7374 7261 696e 743c 2f74 6974 6c65  restraint</title\n+0001da40: 3e0a 3c67 2069 643d 2261 5f6e 6f64 6534  >.<g id=\"a_node4\n+0001da50: 3422 3e3c 6120 786c 696e 6b3a 6872 6566  4\"><a xlink:href\n+0001da60: 3d22 6772 6f75 705f 5f6d 6f64 756c 655f  =\"group__module_\n+0001da70: 5f72 6573 7472 6169 6e74 2e78 6874 6d6c  _restraint.xhtml\n+0001da80: 2220 7461 7267 6574 3d22 5f74 6f70 2220  \" target=\"_top\" \n+0001da90: 786c 696e 6b3a 7469 746c 653d 2272 6573  xlink:title=\"res\n+0001daa0: 7472 6169 6e74 223e 0a3c 656c 6c69 7073  traint\">.<ellips\n+0001dab0: 6520 6669 6c6c 3d22 6e6f 6e65 2220 7374  e fill=\"none\" st\n+0001dac0: 726f 6b65 3d22 626c 6163 6b22 2063 783d  roke=\"black\" cx=\n+0001dad0: 2231 3632 312e 3931 2220 6379 3d22 2d34  \"1621.91\" cy=\"-4\n+0001dae0: 3639 2e35 3322 2072 783d 2233 362e 3534  69.53\" rx=\"36.54\n+0001daf0: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c  \" ry=\"13.37\"/>.<\n+0001db00: 7465 7874 2074 6578 742d 616e 6368 6f72  text text-anchor\n+0001db10: 3d22 6d69 6464 6c65 2220 783d 2231 3632  =\"middle\" x=\"162\n+0001db20: 312e 3931 2220 793d 222d 3436 372e 3033  1.91\" y=\"-467.03\n+0001db30: 2220 666f 6e74 2d66 616d 696c 793d 2246  \" font-family=\"F\n+0001db40: 7265 6553 616e 7322 2066 6f6e 742d 7369  reeSans\" font-si\n+0001db50: 7a65 3d22 3130 2e30 3022 3e72 6573 7472  ze=\"10.00\">restr\n+0001db60: 6169 6e74 3c2f 7465 7874 3e0a 3c2f 613e  aint</text>.</a>\n+0001db70: 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d 2d20  .</g>.</g>.<!-- \n+0001db80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001db90: 6373 5f6d 6472 756e 2623 3435 3b26 6774  cs_mdrun&#45;&gt\n+0001dba0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0001dbb0: 6163 735f 7265 7374 7261 696e 7420 2d2d  acs_restraint --\n+0001dbc0: 3e0a 3c67 2069 643d 2265 6467 6531 3835  >.<g id=\"edge185\n+0001dbd0: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+0001dbe0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+0001dbf0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26  c_gromacs_mdrun&\n+0001dc00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+0001dc10: 7263 5f67 726f 6d61 6373 5f72 6573 7472  rc_gromacs_restr\n+0001dc20: 6169 6e74 3c2f 7469 746c 653e 0a3c 7061  aint</title>.<pa\n+0001dc30: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+0001dc40: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+0001dc50: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n+0001dc60: 3d22 352c 3222 2064 3d22 4d31 3436 372e  =\"5,2\" d=\"M1467.\n+0001dc70: 3138 2c2d 3532 332e 3434 4331 3439 372e  18,-523.44C1497.\n+0001dc80: 3637 2c2d 3531 332e 3031 2031 3535 312e  67,-513.01 1551.\n+0001dc90: 3432 2c2d 3439 342e 3633 2031 3538 362e  42,-494.63 1586.\n+0001dca0: 3835 2c2d 3438 322e 3531 222f 3e0a 3c70  85,-482.51\"/>.<p\n+0001dcb0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n+0001dcc0: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n+0001dcd0: 3832 6663 6322 2070 6f69 6e74 733d 2231  82fcc\" points=\"1\n+0001dce0: 3538 382c 2d34 3835 2e38 3220 3135 3936  588,-485.82 1596\n+0001dcf0: 2e33 332c 2d34 3739 2e32 3720 3135 3835  .33,-479.27 1585\n+0001dd00: 2e37 332c 2d34 3739 2e32 2031 3538 382c  .73,-479.2 1588,\n+0001dd10: 2d34 3835 2e38 3222 2f3e 0a3c 2f67 3e0a  -485.82\"/>.</g>.\n+0001dd20: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n+0001dd30: 6772 6f6d 6163 735f 6d64 7275 6e26 2334  gromacs_mdrun&#4\n+0001dd40: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0001dd50: 5f67 726f 6d61 6373 5f65 7373 656e 7469  _gromacs_essenti\n+0001dd60: 616c 6479 6e61 6d69 6373 202d 2d3e 0a3c  aldynamics -->.<\n+0001dd70: 6720 6964 3d22 6564 6765 3136 3922 2063  g id=\"edge169\" c\n+0001dd80: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+0001dd90: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+0001dda0: 726f 6d61 6373 5f6d 6472 756e 2623 3435  romacs_mdrun&#45\n+0001ddb0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0001ddc0: 6772 6f6d 6163 735f 6573 7365 6e74 6961  gromacs_essentia\n+0001ddd0: 6c64 796e 616d 6963 733c 2f74 6974 6c65  ldynamics</title\n+0001dde0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+0001ddf0: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n+0001de00: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n+0001de10: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n+0001de20: 3134 3539 2e33 382c 2d35 3230 2e36 3743  1459.38,-520.67C\n+0001de30: 3134 3730 2e34 392c 2d35 3131 2e39 3720  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ry=\"1\n+0001e000: 332e 3337 222f 3e0a 3c74 6578 7420 7465  3.37\"/>.<text te\n+0001e010: 7874 2d61 6e63 686f 723d 226d 6964 646c  xt-anchor=\"middl\n+0001e020: 6522 2078 3d22 3130 3639 2e39 3122 2079  e\" x=\"1069.91\" y\n+0001e030: 3d22 2d34 3637 2e30 3322 2066 6f6e 742d  =\"-467.03\" font-\n+0001e040: 6661 6d69 6c79 3d22 4672 6565 5361 6e73  family=\"FreeSans\n+0001e050: 2220 666f 6e74 2d73 697a 653d 2231 302e  \" font-size=\"10.\n+0001e060: 3030 223e 6170 706c 6965 645f 666f 7263  00\">applied_forc\n+0001e070: 6573 3c2f 7465 7874 3e0a 3c2f 673e 0a3c  es</text>.</g>.<\n+0001e080: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+0001e090: 726f 6d61 6373 5f6d 6472 756e 2623 3435  romacs_mdrun&#45\n+0001e0a0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0001e0b0: 6772 6f6d 6163 735f 6170 706c 6965 645f  gromacs_applied_\n+0001e0c0: 666f 7263 6573 202d 2d3e 0a3c 6720 6964  forces -->.<g id\n+0001e0d0: 3d22 6564 6765 3138 3822 2063 6c61 7373  =\"edge188\" class\n+0001e0e0: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+0001e0f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001e100: 6373 5f6d 6472 756e 2623 3435 3b26 6774  cs_mdrun&#45;&gt\n+0001e110: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0001e120: 6163 735f 6170 706c 6965 645f 666f 7263  acs_applied_forc\n+0001e130: 6573 3c2f 7469 746c 653e 0a3c 7061 7468  es</title>.<path\n+0001e140: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+0001e150: 6f6b 653d 2272 6564 2220 643d 224d 3134  oke=\"red\" d=\"M14\n+0001e160: 3135 2e34 392c 2d35 3236 2e37 3743 3133  15.49,-526.77C13\n+0001e170: 3533 2e35 332c 2d35 3136 2e36 3920 3132  53.53,-516.69 12\n+0001e180: 3035 2e33 392c 2d34 3932 2e35 3820 3131  05.39,-492.58 11\n+0001e190: 3234 2e36 352c 2d34 3739 2e34 3322 2f3e  24.65,-479.43\"/>\n+0001e1a0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+0001e1b0: 7265 6422 2073 7472 6f6b 653d 2272 6564  red\" 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stroke=\"black\n+0001e2a0: 2220 6378 3d22 3134 3734 2e39 3122 2063  \" cx=\"1474.91\" c\n+0001e2b0: 793d 222d 3635 382e 3134 2220 7278 3d22  y=\"-658.14\" rx=\"\n+0001e2c0: 3331 2e32 3322 2072 793d 2231 332e 3337  31.23\" ry=\"13.37\n+0001e2d0: 222f 3e0a 3c74 6578 7420 7465 7874 2d61  \"/>.<text text-a\n+0001e2e0: 6e63 686f 723d 226d 6964 646c 6522 2078  nchor=\"middle\" x\n+0001e2f0: 3d22 3134 3734 2e39 3122 2079 3d22 2d36  =\"1474.91\" y=\"-6\n+0001e300: 3535 2e36 3422 2066 6f6e 742d 6661 6d69  55.64\" font-fami\n+0001e310: 6c79 3d22 4672 6565 5361 6e73 2220 666f  ly=\"FreeSans\" fo\n+0001e320: 6e74 2d73 697a 653d 2231 302e 3030 223e  nt-size=\"10.00\">\n+0001e330: 7075 6c6c 696e 673c 2f74 6578 743e 0a3c  pulling</text>.<\n+0001e340: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+0001e350: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n+0001e360: 6e26 2334 353b 2667 743b 6d6f 6475 6c65  n&#45;&gt;module\n+0001e370: 5f73 7263 5f67 726f 6d61 6373 5f70 756c  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462.74,-608.58 1\n+0001e460: 3436 392e 3236 2c2d 3633 342e 3622 2f3e  469.26,-634.6\"/>\n+0001e470: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+0001e480: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n+0001e490: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n+0001e4a0: 3d22 3134 3635 2e38 382c 2d36 3335 2e35  =\"1465.88,-635.5\n+0001e4b0: 3120 3134 3731 2e37 312c 2d36 3434 2e33  1 1471.71,-644.3\n+0001e4c0: 3620 3134 3732 2e36 372c 2d36 3333 2e38  6 1472.67,-633.8\n+0001e4d0: 3120 3134 3635 2e38 382c 2d36 3335 2e35  1 1465.88,-635.5\n+0001e4e0: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  1\"/>.</g>.<!-- m\n+0001e4f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001e500: 735f 6d64 7275 6e26 2334 353b 2667 743b  s_mdrun&#45;&gt;\n+0001e510: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001e520: 6373 5f61 7070 6c69 6564 5f66 6f72 6365  cs_applied_force\n+0001e530: 735f 6177 6820 2d2d 3e0a 3c67 2069 643d  s_awh -->.<g 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ysisdata&#45;&gt\n+0001e700: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+0001e710: 6163 735f 6669 6c65 696f 202d 2d3e 0a3c  acs_fileio -->.<\n+0001e720: 6720 6964 3d22 6564 6765 3139 3022 2063  g id=\"edge190\" c\n+0001e730: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+0001e740: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+0001e750: 726f 6d61 6373 5f61 6e61 6c79 7369 7364  romacs_analysisd\n+0001e760: 6174 6126 2334 353b 2667 743b 6d6f 6475  ata&#45;&gt;modu\n+0001e770: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66  le_src_gromacs_f\n+0001e780: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70  ileio</title>.<p\n+0001e790: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+0001e7a0: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+0001e7b0: 2064 3d22 4d31 3430 332e 3131 2c2d 3833   d=\"M1403.11,-83\n+0001e7c0: 372e 3643 3133 3439 2e35 372c 2d38 3235  7.6C1349.57,-825\n+0001e7d0: 2e37 3520 3132 3530 2e39 352c 2d38 3033  .75 1250.95,-803\n+0001e7e0: 2e39 3220 3131 3938 2e39 392c 2d37 3932  .92 1198.99,-792\n+0001e7f0: 2e34 3222 2f3e 0a3c 706f 6c79 676f 6e20  .42\"/>.<polygon \n+0001e800: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n+0001e810: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+0001e820: 706f 696e 7473 3d22 3131 3939 2e34 362c  points=\"1199.46,\n+0001e830: 2d37 3838 2e39 3420 3131 3838 2e39 342c  -788.94 1188.94,\n+0001e840: 2d37 3930 2e32 2031 3139 372e 3935 2c2d  -790.2 1197.95,-\n+0001e850: 3739 352e 3737 2031 3139 392e 3436 2c2d  795.77 1199.46,-\n+0001e860: 3738 382e 3934 222f 3e0a 3c2f 673e 0a3c  788.94\"/>.</g>.<\n+0001e870: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+0001e880: 726f 6d61 6373 5f6d 646c 6962 2623 3435  romacs_mdlib&#45\n+0001e890: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n+0001e8a0: 6772 6f6d 6163 735f 6d64 7275 6e75 7469  gromacs_mdrunuti\n+0001e8b0: 6c69 7479 202d 2d3e 0a3c 6720 6964 3d22  lity -->.<g 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cs_pulling&#45;&\n-0001ee10: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-0001ee20: 6f6d 6163 735f 6d64 6c69 6220 2d2d 3e0a  omacs_mdlib -->.\n-0001ee30: 3c67 2069 643d 2265 6467 6532 3030 2220  <g id=\"edge200\" \n-0001ee40: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-0001ee50: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-0001ee60: 6772 6f6d 6163 735f 7075 6c6c 696e 6726  gromacs_pulling&\n-0001ee70: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-0001ee80: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n-0001ee90: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n-0001eea0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n-0001eeb0: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n-0001eec0: 3934 302e 3031 2c2d 3933 2e36 3343 3835  940.01,-93.63C85\n-0001eed0: 342e 3239 2c2d 3935 2e30 3320 3631 352e  4.29,-95.03 615.\n-0001eee0: 3938 2c2d 3130 322e 3435 2035 3530 2c2d  98,-102.45 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andom</title>.<p\n-0001f890: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n-0001f8a0: 7374 726f 6b65 3d22 626c 6163 6b22 2073  stroke=\"black\" s\n-0001f8b0: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n-0001f8c0: 2235 2c32 2220 643d 224d 3133 3536 2e32  \"5,2\" d=\"M1356.2\n-0001f8d0: 352c 2d31 3135 392e 3743 3131 3132 2e36  5,-1159.7C1112.6\n-0001f8e0: 312c 2d31 3135 372e 3833 2031 3932 2e31  1,-1157.83 192.1\n-0001f8f0: 342c 2d31 3134 382e 3336 2031 3433 2c2d  4,-1148.36 143,-\n-0001f900: 3131 3131 2e36 3620 2d30 2e38 2c2d 3130  1111.66 -0.8,-10\n-0001f910: 3034 2e32 3720 3337 2c2d 3930 312e 3438  04.27 37,-901.48\n-0001f920: 2033 372c 2d37 3232 2e30 3120 3337 2c2d   37,-722.01 37,-\n-0001f930: 3732 322e 3031 2033 372c 2d37 3232 2e30  722.01 37,-722.0\n-0001f940: 3120 3337 2c2d 3231 372e 3035 2033 372c  1 37,-217.05 37,\n-0001f950: 2d31 3831 2e34 3920 3430 2e33 342c 2d31  -181.49 40.34,-1\n-0001f960: 3638 2e32 3820 3634 2c2d 3134 312e 3734  68.28 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le_src_gromacs_m\n-0001fa50: 6472 756e 7574 696c 6974 7920 2d2d 3e0a  drunutility -->.\n-0001fa60: 3c67 2069 643d 2265 6467 6532 3135 2220  <g id=\"edge215\" \n-0001fa70: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-0001fa80: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-0001fa90: 6772 6f6d 6163 735f 676d 7870 7265 7072  gromacs_gmxprepr\n-0001faa0: 6f63 6573 7326 2334 353b 2667 743b 6d6f  ocess&#45;&gt;mo\n-0001fab0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-0001fac0: 5f6d 6472 756e 7574 696c 6974 793c 2f74  _mdrunutility</t\n-0001fad0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-0001fae0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-0001faf0: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n-0001fb00: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n-0001fb10: 643d 224d 3134 3133 2e35 322c 2d31 3134  d=\"M1413.52,-114\n-0001fb20: 372e 3635 4331 3430 322e 3337 2c2d 3130  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gt;module_src_gr\n-0001feb0: 6f6d 6163 735f 636f 6d6d 616e 646c 696e  omacs_commandlin\n-0001fec0: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820  e</title>.<path \n-0001fed0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-0001fee0: 6b65 3d22 626c 6163 6b22 2073 7472 6f6b  ke=\"black\" strok\n-0001fef0: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n-0001ff00: 2220 643d 224d 3133 3731 2e31 372c 2d31  \" d=\"M1371.17,-1\n-0001ff10: 3135 322e 3031 4331 3237 392e 3633 2c2d  152.01C1279.63,-\n-0001ff20: 3131 3332 2e33 2031 3037 312e 3639 2c2d  1132.3 1071.69,-\n-0001ff30: 3130 3732 2e30 3620 3130 3132 2c2d 3932  1072.06 1012,-92\n-0001ff40: 332e 3035 2039 3937 2e39 322c 2d38 3837  3.05 997.92,-887\n-0001ff50: 2e39 2031 3034 372e 3534 2c2d 3731 382e  .9 1047.54,-718.\n-0001ff60: 3739 2031 3230 342c 2d35 3138 2e39 3620  79 1204,-518.96 \n-0001ff70: 3132 3132 2e38 322c 2d35 3037 2e37 2031  1212.82,-507.7 1\n-0001ff80: 3232 342e 3535 2c2d 3439 372e 3038 2031  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6570 726f 6365 7373 2623 3435  mxpreprocess&#45\n-00021050: 3b26 6774 3b6d 6f64 756c 655f 7372 635f  ;&gt;module_src_\n-00021060: 6772 6f6d 6163 735f 646f 6d64 6563 3c2f  gromacs_domdec</\n-00021070: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n-00021080: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n-00021090: 2223 3238 3266 6363 2220 7374 726f 6b65  \"#282fcc\" stroke\n-000210a0: 2d64 6173 6861 7272 6179 3d22 352c 3222  -dasharray=\"5,2\"\n-000210b0: 2064 3d22 4d31 3436 342e 3837 2c2d 3131   d=\"M1464.87,-11\n-000210c0: 3533 2e39 3843 3135 3639 2e35 2c2d 3131  53.98C1569.5,-11\n-000210d0: 3338 2e30 3820 3138 3039 2e38 2c2d 3130  38.08 1809.8,-10\n-000210e0: 3834 2e37 3520 3139 3031 2c2d 3932 332e  84.75 1901,-923.\n-000210f0: 3035 2031 3933 372e 3639 2c2d 3835 372e  05 1937.69,-857.\n-00021100: 3939 2031 3730 322e 352c 2d37 3230 2e34  99 1702.5,-720.4\n-00021110: 3720 3136 3139 2e33 342c 2d36 3734 2e34  7 1619.34,-674.4\n-00021120: 3822 2f3e 0a3c 706f 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223e 0a3c   class=\"edge\">.<\n-00021210: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00021220: 5f67 726f 6d61 6373 5f67 6d78 7072 6570  _gromacs_gmxprep\n-00021230: 726f 6365 7373 2623 3435 3b26 6774 3b6d  rocess&#45;&gt;m\n-00021240: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00021250: 735f 6c69 7374 6564 5f66 6f72 6365 733c  s_listed_forces<\n-00021260: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00021270: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-00021280: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-00021290: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n-000212a0: 2220 643d 224d 3134 3138 2e37 332c 2d31  \" d=\"M1418.73,-1\n-000212b0: 3134 372e 3538 4331 3432 352e 3031 2c2d  147.58C1425.01,-\n-000212c0: 3131 3235 2e33 3920 3134 3337 2c2d 3130  1125.39 1437,-10\n-000212d0: 3737 2e35 3920 3134 3337 2c2d 3130 3336  77.59 1437,-1036\n-000212e0: 2e33 3620 3134 3337 2c2d 3130 3336 2e33  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c_gromacs_gmxpre\n-000213d0: 7072 6f63 6573 7326 2334 353b 2667 743b  process&#45;&gt;\n-000213e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000213f0: 6373 5f65 7761 6c64 202d 2d3e 0a3c 6720  cs_ewald -->.<g \n-00021400: 6964 3d22 6564 6765 3231 3122 2063 6c61  id=\"edge211\" cla\n-00021410: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00021420: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00021430: 6d61 6373 5f67 6d78 7072 6570 726f 6365  macs_gmxpreproce\n-00021440: 7373 2623 3435 3b26 6774 3b6d 6f64 756c  ss&#45;&gt;modul\n-00021450: 655f 7372 635f 6772 6f6d 6163 735f 6577  e_src_gromacs_ew\n-00021460: 616c 643c 2f74 6974 6c65 3e0a 3c70 6174  ald</title>.<pat\n-00021470: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00021480: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n-00021490: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n-000214a0: 2235 2c32 2220 643d 224d 3134 3733 2e34  \"5,2\" 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class=\"edge\"\n-00022650: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00022660: 7372 635f 6772 6f6d 6163 735f 696d 6426  src_gromacs_imd&\n-00022670: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n-00022680: 7263 5f67 726f 6d61 6373 5f66 696c 6569  rc_gromacs_filei\n-00022690: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820  o</title>.<path \n-000226a0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-000226b0: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n-000226c0: 4d38 3233 2e30 372c 2d31 3638 2e33 3843  M823.07,-168.38C\n-000226d0: 3831 372e 3332 2c2d 3137 372e 3836 2038  817.32,-177.86 8\n-000226e0: 3039 2e39 2c2d 3139 312e 3535 2038 3036  09.9,-191.55 806\n-000226f0: 2c2d 3230 342e 3631 2037 3837 2e33 342c  ,-204.61 787.34,\n-00022700: 2d32 3637 2e30 3820 3738 342e 372c 2d33  -267.08 784.7,-3\n-00022710: 3434 2e37 3620 3738 342e 3636 2c2d 3338  44.76 784.66,-38\n-00022720: 322e 3638 222f 3e0a 3c70 6f6c 7967 6f6e  2.68\"/>.<polygon\n-00022730: 2066 696c 6c3d 2223 6266 6266 6266 2220   fill=\"#bfbfbf\" \n-00022740: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n-00022750: 2070 6f69 6e74 733d 2237 3831 2e31 362c   points=\"781.16,\n-00022760: 2d33 3833 2e31 3220 3738 342e 3732 2c2d  -383.12 784.72,-\n-00022770: 3339 332e 3120 3738 382e 3136 2c2d 3338  393.1 788.16,-38\n-00022780: 332e 3039 2037 3831 2e31 362c 2d33 3833  3.09 781.16,-383\n-00022790: 2e31 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .12\"/>.</g>.<!--\n-000227a0: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-000227b0: 6163 735f 696d 6426 2334 353b 2667 743b  acs_imd&#45;&gt;\n-000227c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-000227d0: 6373 5f64 6f6d 6465 6320 2d2d 3e0a 3c67  cs_domdec -->.<g\n-000227e0: 2069 643d 2265 6467 6532 3231 2220 636c   id=\"edge221\" cl\n-000227f0: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n-00022800: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  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1.91,-510.99 793\n-000232a0: 2e34 322c 2d35 3030 2e32 3220 3738 362e  .42,-500.22 786.\n-000232b0: 3035 2c2d 3439 302e 3838 222f 3e0a 3c70  05,-490.88\"/>.<p\n-000232c0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n-000232d0: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n-000232e0: 3832 6663 6322 2070 6f69 6e74 733d 2237  82fcc\" points=\"7\n-000232f0: 3838 2e36 342c 2d34 3838 2e35 3120 3737  88.64,-488.51 77\n-00023300: 392e 372c 2d34 3832 2e38 3320 3738 332e  9.7,-482.83 783.\n-00023310: 3134 2c2d 3439 322e 3834 2037 3838 2e36  14,-492.84 788.6\n-00023320: 342c 2d34 3838 2e35 3122 2f3e 0a3c 2f67  4,-488.51\"/>.</g\n-00023330: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n-00023340: 635f 6772 6f6d 6163 735f 636f 7272 656c  c_gromacs_correl\n-00023350: 6174 696f 6e66 756e 6374 696f 6e73 2623  ationfunctions&#\n-00023360: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00023370: 635f 6772 6f6d 6163 735f 636f 6d6d 616e  c_gromacs_comman\n-00023380: 646c 696e 6520 2d2d 3e0a 3c67 2069 643d  dline -->.<g id=\n-00023390: 2265 6467 6532 3331 2220 636c 6173 733d  \"edge231\" class=\n-000233a0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d  \"edge\">.<title>m\n-000233b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-000233c0: 735f 636f 7272 656c 6174 696f 6e66 756e  s_correlationfun\n-000233d0: 6374 696f 6e73 2623 3435 3b26 6774 3b6d  ctions&#45;&gt;m\n-000233e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-000233f0: 735f 636f 6d6d 616e 646c 696e 653c 2f74  s_commandline</t\n-00023400: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n-00023410: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n-00023420: 2332 3832 6663 6322 2064 3d22 4d39 3537  #282fcc\" d=\"M957\n-00023430: 2e35 332c 2d35 3832 2e30 3943 3938 302e  .53,-582.09C980.\n-00023440: 3638 2c2d 3536 352e 3537 2031 3032 342e  68,-565.57 1024.\n-00023450: 3538 2c2d 3533 362e 3135 2031 3036 362c  58,-536.15 1066,\n-00023460: 2d35 3138 2e39 3620 3131 3132 2e30 312c  -518.96 1112.01,\n-00023470: 2d34 3939 2e38 3620 3131 3637 2e34 2c2d  -499.86 1167.4,-\n-00023480: 3438 362e 3936 2031 3230 372e 322c 2d34  486.96 1207.2,-4\n-00023490: 3739 2e33 222f 3e0a 3c70 6f6c 7967 6f6e  79.3\"/>.<polygon\n-000234a0: 2066 696c 6c3d 2223 3238 3266 6363 2220   fill=\"#282fcc\" \n-000234b0: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n-000234c0: 2070 6f69 6e74 733d 2231 3230 382e 3033   points=\"1208.03\n-000234d0: 2c2d 3438 322e 3720 3132 3137 2e32 322c  ,-482.7 1217.22,\n-000234e0: 2d34 3737 2e34 3220 3132 3036 2e37 342c  -477.42 1206.74,\n-000234f0: 2d34 3735 2e38 3220 3132 3038 2e30 332c  -475.82 1208.03,\n-00023500: 2d34 3832 2e37 222f 3e0a 3c2f 673e 0a3c  -482.7\"/>.</g>.<\n-00023510: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n-00023520: 726f 6d61 6373 5f63 6f72 7265 6c61 7469  romacs_correlati\n-00023530: 6f6e 6675 6e63 7469 6f6e 7326 2334 353b  onfunctions&#45;\n-00023540: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00023550: 726f 6d61 6373 5f66 6674 202d 2d3e 0a3c  romacs_fft -->.<\n-00023560: 6720 6964 3d22 6564 6765 3233 3322 2063  g id=\"edge233\" c\n-00023570: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n-00023580: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n-00023590: 726f 6d61 6373 5f63 6f72 7265 6c61 7469  romacs_correlati\n-000235a0: 6f6e 6675 6e63 7469 6f6e 7326 2334 353b  onfunctions&#45;\n-000235b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-000235c0: 726f 6d61 6373 5f66 6674 3c2f 7469 746c  romacs_fft</titl\n-000235d0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e  e>.<path fill=\"n\n-000235e0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238  one\" stroke=\"#28\n-000235f0: 3266 6363 2220 643d 224d 3130 3038 2e36  2fcc\" d=\"M1008.6\n-00023600: 352c 2d35 3930 2e37 3543 3132 3237 2e31  5,-590.75C1227.1\n-00023610: 312c 2d35 3739 2e34 3120 3139 3039 2e32  1,-579.41 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541,-545.83 49\n-000237e0: 372e 3334 2c2d 3532 382e 3436 2034 3737  7.34,-528.46 477\n-000237f0: 2e31 352c 2d35 3234 2e39 3220 3435 362c  .15,-524.92 456,\n-00023800: 2d34 3832 2e39 3620 3435 302e 3632 2c2d  -482.96 450.62,-\n-00023810: 3437 322e 3320 3434 382e 3139 2c2d 3436  472.3 448.19,-46\n-00023820: 352e 3133 2034 3536 2c2d 3435 362e 3039  5.13 456,-456.09\n-00023830: 2034 3933 2e33 352c 2d34 3132 2e38 3420   493.35,-412.84 \n-00023840: 3636 392e 3633 2c2d 3430 372e 3532 2037  669.63,-407.52 7\n-00023850: 3437 2e36 372c 2d34 3037 2e33 3322 2f3e  47.67,-407.33\"/>\n-00023860: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n-00023870: 2362 6662 6662 6622 2073 7472 6f6b 653d  #bfbfbf\" stroke=\n-00023880: 2223 6266 6266 6266 2220 706f 696e 7473  \"#bfbfbf\" points\n-00023890: 3d22 3734 382c 2d34 3130 2e38 3320 3735  =\"748,-410.83 75\n-000238a0: 382e 3031 2c2d 3430 372e 3333 2037 3438  8.01,-407.33 748\n-000238b0: 2e30 312c 2d34 3033 2e38 3320 3734 382c  .01,-403.83 748,\n-000238c0: 2d34 3130 2e38 3322 2f3e 0a3c 2f67 3e0a  -410.83\"/>.</g>.\n-000238d0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f  <!-- module_src_\n-000238e0: 6772 6f6d 6163 735f 646f 6d64 6563 2623  gromacs_domdec&#\n-000238f0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00023900: 635f 6772 6f6d 6163 735f 6861 7264 7761  c_gromacs_hardwa\n-00023910: 7265 202d 2d3e 0a3c 6720 6964 3d22 6564  re -->.<g id=\"ed\n-00023920: 6765 3233 3822 2063 6c61 7373 3d22 6564  ge238\" class=\"ed\n-00023930: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n-00023940: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64  le_src_gromacs_d\n-00023950: 6f6d 6465 6326 2334 353b 2667 743b 6d6f  omdec&#45;&gt;mo\n-00023960: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00023970: 5f68 6172 6477 6172 653c 2f74 6974 6c65  _hardware</title\n-00023980: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00023990: 6e65 2220 7374 726f 6b65 3d22 2362 6662  ne\" 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cla\n-00023e00: 7373 3d22 6564 6765 223e 0a3c 7469 746c  ss=\"edge\">.<titl\n-00023e10: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n-00023e20: 6d61 6373 5f64 6f6d 6465 6326 2334 353b  macs_domdec&#45;\n-00023e30: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00023e40: 726f 6d61 6373 5f6d 6472 756e 7574 696c  romacs_mdrunutil\n-00023e50: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174  ity</title>.<pat\n-00023e60: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n-00023e70: 726f 6b65 3d22 2332 3832 6663 6322 2073  roke=\"#282fcc\" s\n-00023e80: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n-00023e90: 2235 2c32 2220 643d 224d 3135 3833 2e39  \"5,2\" d=\"M1583.9\n-00023ea0: 362c 2d36 3434 2e36 3943 3135 3631 2e34  6,-644.69C1561.4\n-00023eb0: 382c 2d36 3035 2e32 3920 3134 3930 2e39  8,-605.29 1490.9\n-00023ec0: 2c2d 3438 342e 3331 2031 3435 362c 2d34  ,-484.31 1456,-4\n-00023ed0: 3536 2e30 3920 3134 3232 2e35 2c2d 3432  56.09 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src_gromacs_mdru\n-00024420: 6e3c 2f74 6974 6c65 3e0a 3c70 6174 6820  n</title>.<path \n-00024430: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n-00024440: 6b65 3d22 2332 3832 6663 6322 2073 7472  ke=\"#282fcc\" str\n-00024450: 6f6b 652d 6461 7368 6172 7261 793d 2235  oke-dasharray=\"5\n-00024460: 2c32 2220 643d 224d 3135 3937 2e39 2c2d  ,2\" d=\"M1597.9,-\n-00024470: 3634 342e 3636 4331 3632 322e 3738 2c2d  644.66C1622.78,-\n-00024480: 3630 392e 3834 2031 3730 322c 2d35 3037  609.84 1702,-507\n-00024490: 2e36 3320 3137 3032 2c2d 3430 372e 3636  .63 1702,-407.66\n-000244a0: 2031 3730 322c 2d34 3037 2e36 3620 3137   1702,-407.66 17\n-000244b0: 3032 2c2d 3430 372e 3636 2031 3730 322c  02,-407.66 1702,\n-000244c0: 2d33 3432 2e37 3920 3137 3032 2c2d 3330  -342.79 1702,-30\n-000244d0: 372e 3131 2031 3730 362e 3138 2c2d 3236  7.11 1706.18,-26\n-000244e0: 352e 3835 2031 3731 312e 3537 2c2d 3234  5.85 1711.57,-24\n-000244f0: 312e 3133 222f 3e0a 3c70 6f6c 7967 6f6e  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756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00024970: 735f 646f 6d64 6563 2623 3435 3b26 6774  s_domdec&#45;&gt\n-00024980: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n-00024990: 6163 735f 696d 6420 2d2d 3e0a 3c67 2069  acs_imd -->.<g i\n-000249a0: 643d 2265 6467 6532 3435 2220 636c 6173  d=\"edge245\" clas\n-000249b0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n-000249c0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n-000249d0: 6163 735f 646f 6d64 6563 2623 3435 3b26  acs_domdec&#45;&\n-000249e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-000249f0: 6f6d 6163 735f 696d 643c 2f74 6974 6c65  omacs_imd</title\n-00024a00: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n-00024a10: 6e65 2220 7374 726f 6b65 3d22 2332 3832  ne\" stroke=\"#282\n-00024a20: 6663 6322 2073 7472 6f6b 652d 6461 7368  fcc\" stroke-dash\n-00024a30: 6172 7261 793d 2235 2c32 2220 643d 224d  array=\"5,2\" d=\"M\n-00024a40: 3135 3534 2e37 332c 2d36 3537 2e35 3343  1554.73,-657.53C\n-00024a50: 3134 3132 2e36 312c 2d36 3538 2e38 2039  1412.61,-658.8 9\n-00024a60: 3030 2e31 312c 2d36 3630 2e31 3120 3835  00.11,-660.11 85\n-00024a70: 322c 2d36 3038 2e37 2038 3038 2e38 342c  2,-608.7 808.84,\n-00024a80: 2d35 3632 2e35 3820 3930 362e 3836 2c2d  -562.58 906.86,-\n-00024a90: 3538 3220 3933 302c 2d35 3435 2e38 3320  582 930,-545.83 \n-00024aa0: 3933 392e 3034 2c2d 3533 312e 3720 3933  939.04,-531.7 93\n-00024ab0: 382e 3631 2c2d 3437 372e 3037 2039 3235  8.61,-477.07 925\n-00024ac0: 2c2d 3435 362e 3039 2039 3036 2e38 322c  ,-456.09 906.82,\n-00024ad0: 2d34 3238 2e30 3620 3837 382e 3639 2c2d  -428.06 878.69,-\n-00024ae0: 3434 372e 3039 2038 3539 2c2d 3432 302e  447.09 859,-420.\n-00024af0: 3039 2038 3034 2e36 342c 2d33 3435 2e35  09 804.64,-345.5\n-00024b00: 3420 3831 322e 3532 2c2d 3232 362e 3939  4 812.52,-226.99\n-00024b10: 2038 3232 2e39 312c 2d31 3738 2e32 3322   822.91,-178.23\"\n-00024b20: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00024b30: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-00024b40: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n-00024b50: 7473 3d22 3832 362e 3334 2c2d 3137 382e  ts=\"826.34,-178.\n-00024b60: 3935 2038 3235 2e32 392c 2d31 3638 2e34  95 825.29,-168.4\n-00024b70: 3120 3831 392e 3533 2c2d 3137 372e 3331  1 819.53,-177.31\n-00024b80: 2038 3236 2e33 342c 2d31 3738 2e39 3522   826.34,-178.95\"\n-00024b90: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n-00024ba0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n-00024bb0: 646f 6d64 6563 2623 3435 3b26 6774 3b6d  domdec&#45;&gt;m\n-00024bc0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n-00024bd0: 735f 6c69 7374 6564 5f66 6f72 6365 7320  s_listed_forces \n-00024be0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n-00024bf0: 3432 2220 636c 6173 733d 2265 6467 6522  42\" class=\"edge\"\n-00024c00: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n-00024c10: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n-00024c20: 6563 2623 3435 3b26 6774 3b6d 6f64 756c  ec&#45;&gt;modul\n-00024c30: 655f 7372 635f 6772 6f6d 6163 735f 6c69  e_src_gromacs_li\n-00024c40: 7374 6564 5f66 6f72 6365 733c 2f74 6974  sted_forces</tit\n-00024c50: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n-00024c60: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332  none\" stroke=\"#2\n-00024c70: 3832 6663 6322 2073 7472 6f6b 652d 6461  82fcc\" stroke-da\n-00024c80: 7368 6172 7261 793d 2235 2c32 2220 643d  sharray=\"5,2\" d=\n-00024c90: 224d 3135 3730 2e39 2c2d 3636 392e 3431  \"M1570.9,-669.41\n-00024ca0: 4331 3534 372e 3735 2c2d 3637 392e 3536  C1547.75,-679.56\n-00024cb0: 2031 3530 392e 352c 2d36 3935 2e31 3520   1509.5,-695.15 \n-00024cc0: 3134 3830 2e34 312c 2d37 3036 2e33 3422  1480.41,-706.34\"\n-00024cd0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00024ce0: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-00024cf0: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n-00024d00: 7473 3d22 3134 3739 2e30 332c 2d37 3033  ts=\"1479.03,-703\n-00024d10: 2e31 3220 3134 3730 2e39 342c 2d37 3039  .12 1470.94,-709\n-00024d20: 2e39 3520 3134 3831 2e35 332c 2d37 3039  .95 1481.53,-709\n-00024d30: 2e36 3620 3134 3739 2e30 332c 2d37 3033  .66 1479.03,-703\n-00024d40: 2e31 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d  .12\"/>.</g>.<!--\n-00024d50: 206d 6f64 756c 655f 7372 635f 6772 6f6d   module_src_grom\n-00024d60: 6163 735f 646f 6d64 6563 2623 3435 3b26  acs_domdec&#45;&\n-00024d70: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00024d80: 6f6d 6163 735f 6577 616c 6420 2d2d 3e0a  omacs_ewald -->.\n-00024d90: 3c67 2069 643d 2265 6467 6532 3335 2220  <g id=\"edge235\" \n-00024da0: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n-00024db0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n-00024dc0: 6772 6f6d 6163 735f 646f 6d64 6563 2623  gromacs_domdec&#\n-00024dd0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00024de0: 635f 6772 6f6d 6163 735f 6577 616c 643c  c_gromacs_ewald<\n-00024df0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00024e00: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-00024e10: 3d22 7265 6422 2064 3d22 4d31 3632 302e  =\"red\" d=\"M1620.\n-00024e20: 3836 2c2d 3635 302e 3435 4331 3637 382e  86,-650.45C1678.\n-00024e30: 3333 2c2d 3633 382e 3632 2031 3830 332e  33,-638.62 1803.\n-00024e40: 3631 2c2d 3631 342e 3139 2031 3836 362e  61,-614.19 1866.\n-00024e50: 3135 2c2d 3630 322e 3631 222f 3e0a 3c70  15,-602.61\"/>.<p\n-00024e60: 6f6c 7967 6f6e 2066 696c 6c3d 2272 6564  olygon fill=\"red\n-00024e70: 2220 7374 726f 6b65 3d22 7265 6422 2070  \" stroke=\"red\" p\n-00024e80: 6f69 6e74 733d 2231 3836 372e 3134 2c2d  oints=\"1867.14,-\n-00024e90: 3630 352e 3939 2031 3837 362e 3335 2c2d  605.99 1876.35,-\n-00024ea0: 3630 302e 3734 2031 3836 352e 3838 2c2d  600.74 1865.88,-\n-00024eb0: 3539 392e 3120 3138 3637 2e31 342c 2d36  599.1 1867.14,-6\n-00024ec0: 3035 2e39 3922 2f3e 0a3c 2f67 3e0a 3c21  05.99\"/>.</g>.<!\n-00024ed0: 2d2d 206d 6f64 756c 655f 7372 635f 6772  -- module_src_gr\n-00024ee0: 6f6d 6163 735f 6d69 6d69 6326 2334 353b  omacs_mimic&#45;\n-00024ef0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n-00024f00: 726f 6d61 6373 5f6d 646c 6962 202d 2d3e  romacs_mdlib -->\n-00024f10: 0a3c 6720 6964 3d22 6564 6765 3234 3622  .<g id=\"edge246\"\n-00024f20: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n-00024f30: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n-00024f40: 5f67 726f 6d61 6373 5f6d 696d 6963 2623  _gromacs_mimic&#\n-00024f50: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00024f60: 635f 6772 6f6d 6163 735f 6d64 6c69 623c  c_gromacs_mdlib<\n-00024f70: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n-00024f80: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n-00024f90: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-00024fa0: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n-00024fb0: 2220 643d 224d 3134 3932 2e32 392c 2d31  \" d=\"M1492.29,-1\n-00024fc0: 3633 2e31 3943 3134 3133 2e39 372c 2d31  63.19C1413.97,-1\n-00024fd0: 3835 2e35 2031 3137 352e 3832 2c2d 3235  85.5 1175.82,-25\n-00024fe0: 342e 3231 2031 3136 352c 2d32 3637 2e34  4.21 1165,-267.4\n-00024ff0: 3820 3131 3138 2e38 362c 2d33 3234 2e30  8 1118.86,-324.0\n-00025000: 3620 3131 3331 2c2d 3532 312e 3235 2031  6 1131,-521.25 1\n-00025010: 3133 312c 2d35 3934 2e32 3720 3131 3331  131,-594.27 1131\n-00025020: 2c2d 3635 392e 3134 2031 3133 312c 2d36  ,-659.14 1131,-6\n-00025030: 3539 2e31 3420 3131 3331 2c2d 3635 392e  59.14 1131,-659.\n-00025040: 3134 2031 3133 312c 2d37 3731 2e34 3120  14 1131,-771.41 \n-00025050: 3131 3739 2e35 372c 2d38 3939 2e36 3520  1179.57,-899.65 \n-00025060: 3132 3030 2e35 342c 2d39 3439 2e37 3922  1200.54,-949.79\"\n-00025070: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n-00025080: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n-00025090: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n-000250a0: 7473 3d22 3131 3937 2e34 342c 2d39 3531  ts=\"1197.44,-951\n-000250b0: 2e34 3420 3132 3034 2e35 372c 2d39 3539  .44 1204.57,-959\n-000250c0: 2e32 3720 3132 3033 2e38 382c 2d39 3438  .27 1203.88,-948\n-000250d0: 2e37 2031 3139 372e 3434 2c2d 3935 312e  .7 1197.44,-951.\n-000250e0: 3434 222f 3e0a 3c2f 673e 0a3c 212d 2d20  44\"/>.</g>.<!-- \n-000250f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n-00025100: 6373 5f6c 6973 7465 645f 666f 7263 6573  cs_listed_forces\n-00025110: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n-00025120: 7372 635f 6772 6f6d 6163 735f 6861 7264  src_gromacs_hard\n-00025130: 7761 7265 202d 2d3e 0a3c 6720 6964 3d22  ware -->.<g id=\"\n-00025140: 6564 6765 3235 3422 2063 6c61 7373 3d22  edge254\" class=\"\n-00025150: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n-00025160: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-00025170: 5f6c 6973 7465 645f 666f 7263 6573 2623  _listed_forces&#\n-00025180: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00025190: 635f 6772 6f6d 6163 735f 6861 7264 7761  c_gromacs_hardwa\n-000251a0: 7265 3c2f 7469 746c 653e 0a3c 7061 7468  re</title>.<path\n-000251b0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n-000251c0: 6f6b 653d 2272 6564 2220 643d 224d 3134  oke=\"red\" d=\"M14\n-000251d0: 3433 2e38 342c 2d37 3334 2e36 4331 3434  43.84,-734.6C144\n-000251e0: 372e 3932 2c2d 3735 302e 3535 2031 3435  7.92,-750.55 145\n-000251f0: 362e 372c 2d37 3738 2e32 3320 3134 3732  6.7,-778.23 1472\n-00025200: 2c2d 3739 372e 3331 2031 3530 322e 3532  ,-797.31 1502.52\n-00025210: 2c2d 3833 352e 3338 2031 3531 372e 3335  ,-835.38 1517.35\n-00025220: 2c2d 3834 302e 3520 3135 3632 2c2d 3836  ,-840.5 1562,-86\n-00025230: 302e 3138 2031 3631 372e 3134 2c2d 3838  0.18 1617.14,-88\n-00025240: 342e 3438 2031 3638 352e 3736 2c2d 3839  4.48 1685.76,-89\n-00025250: 372e 3139 2031 3733 302e 3636 2c2d 3930  7.19 1730.66,-90\n-00025260: 332e 3338 222f 3e0a 3c70 6f6c 7967 6f6e  3.38\"/>.<polygon\n-00025270: 2066 696c 6c3d 2272 6564 2220 7374 726f   fill=\"red\" stro\n-00025280: 6b65 3d22 7265 6422 2070 6f69 6e74 733d  ke=\"red\" points=\n-00025290: 2231 3733 302e 3333 2c2d 3930 362e 3837  \"1730.33,-906.87\n-000252a0: 2031 3734 302e 3731 2c2d 3930 342e 3731   1740.71,-904.71\n-000252b0: 2031 3733 312e 3235 2c2d 3839 392e 3933   1731.25,-899.93\n-000252c0: 2031 3733 302e 3333 2c2d 3930 362e 3837   1730.33,-906.87\n-000252d0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n-000252e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n-000252f0: 5f6c 6973 7465 645f 666f 7263 6573 2623  _listed_forces&#\n-00025300: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n-00025310: 635f 6772 6f6d 6163 735f 7461 626c 6573  c_gromacs_tables\n-00025320: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n-00025330: 3235 3322 2063 6c61 7373 3d22 6564 6765  253\" class=\"edge\n-00025340: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n-00025350: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973  _src_gromacs_lis\n-00025360: 7465 645f 666f 7263 6573 2623 3435 3b26  ted_forces&#45;&\n-00025370: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n-00025380: 6f6d 6163 735f 7461 626c 6573 3c2f 7469  omacs_tables</ti\n-00025390: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n-000253a0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223  \"none\" stroke=\"#\n-000253b0: 3238 3266 6363 2220 7374 726f 6b65 2d64  282fcc\" stroke-d\n-000253c0: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n-000253d0: 3d22 4d31 3339 342e 3637 2c2d 3731 352e  =\"M1394.67,-715.\n-000253e0: 3431 4331 3237 382e 3437 2c2d 3730 332e  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module_\n+0001ea30: 7372 635f 6772 6f6d 6163 735f 6d64 6c69  src_gromacs_mdli\n+0001ea40: 6226 2334 353b 2667 743b 6d6f 6475 6c65  b&#45;&gt;module\n+0001ea50: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474  _src_gromacs_mdt\n+0001ea60: 7970 6573 202d 2d3e 0a3c 6720 6964 3d22  ypes -->.<g id=\"\n+0001ea70: 6564 6765 3139 3322 2063 6c61 7373 3d22  edge193\" class=\"\n+0001ea80: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+0001ea90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+0001eaa0: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d  _mdlib&#45;&gt;m\n+0001eab0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001eac0: 735f 6d64 7479 7065 733c 2f74 6974 6c65  s_mdtypes</title\n+0001ead0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+0001eae0: 6e65 2220 7374 726f 6b65 3d22 7265 6422  ne\" stroke=\"red\"\n+0001eaf0: 2064 3d22 4d38 3036 2e38 392c 2d39 3135   d=\"M806.89,-915\n+0001eb00: 2e34 4338 3635 2e32 392c 2d39 3237 2e33  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module_src_grom\n+0001ebf0: 6163 735f 6d64 6c69 6226 2334 353b 2667  acs_mdlib&#45;&g\n+0001ec00: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+0001ec10: 6d61 6373 5f6d 6473 7061 6e20 2d2d 3e0a  macs_mdspan -->.\n+0001ec20: 3c67 2069 643d 2265 6467 6531 3937 2220  <g id=\"edge197\" \n+0001ec30: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+0001ec40: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+0001ec50: 6772 6f6d 6163 735f 6d64 6c69 6226 2334  gromacs_mdlib&#4\n+0001ec60: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+0001ec70: 5f67 726f 6d61 6373 5f6d 6473 7061 6e3c  _gromacs_mdspan<\n+0001ec80: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+0001ec90: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+0001eca0: 3d22 7265 6422 2064 3d22 4d37 3533 2e30  =\"red\" d=\"M753.0\n+0001ecb0: 352c 2d39 3037 2e31 3543 3638 312e 3934  5,-907.15C681.94\n+0001ecc0: 2c2d 3930 332e 3031 2034 3935 2e35 342c  ,-903.01 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362.02,-10\n+0001edb0: 342e 3920 3335 322e 3437 2c2d 3130 392e  4.9 352.47,-109.\n+0001edc0: 3438 2033 3537 2e34 312c 2d31 3134 2e34  48 357.41,-114.4\n+0001edd0: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d  4\"/>.</g>.<!-- m\n+0001ede0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+0001edf0: 735f 6d64 6c69 6226 2334 353b 2667 743b  s_mdlib&#45;&gt;\n+0001ee00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+0001ee10: 6373 5f67 6d78 6c69 6220 2d2d 3e0a 3c67  cs_gmxlib -->.<g\n+0001ee20: 2069 643d 2265 6467 6531 3932 2220 636c   id=\"edge192\" cl\n+0001ee30: 6173 733d 2265 6467 6522 3e0a 3c74 6974  ass=\"edge\">.<tit\n+0001ee40: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+0001ee50: 6f6d 6163 735f 6d64 6c69 6226 2334 353b  omacs_mdlib&#45;\n+0001ee60: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+0001ee70: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74  romacs_gmxlib</t\n+0001ee80: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path 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ory</title>.<pat\n+00020570: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374  h fill=\"none\" st\n+00020580: 726f 6b65 3d22 2362 6662 6662 6622 2064  roke=\"#bfbfbf\" d\n+00020590: 3d22 4d37 3637 2e35 362c 2d38 3937 2e36  =\"M767.56,-897.6\n+000205a0: 3343 3735 372e 3433 2c2d 3838 382e 3538  3C757.43,-888.58\n+000205b0: 2037 3433 2e39 322c 2d38 3734 2e39 2037   743.92,-874.9 7\n+000205c0: 3335 2e39 312c 2d38 3630 2e31 3820 3731  35.91,-860.18 71\n+000205d0: 352e 3535 2c2d 3832 322e 3736 2037 3036  5.55,-822.76 706\n+000205e0: 2e37 342c 2d37 3733 2e31 3920 3730 332e  .74,-773.19 703.\n+000205f0: 3136 2c2d 3734 342e 3732 222f 3e0a 3c70  16,-744.72\"/>.<p\n+00020600: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n+00020610: 6266 6266 2220 7374 726f 6b65 3d22 2362  bfbf\" stroke=\"#b\n+00020620: 6662 6662 6622 2070 6f69 6e74 733d 2237  fbfbf\" points=\"7\n+00020630: 3036 2e36 312c 2d37 3434 2e31 3220 3730  06.61,-744.12 70\n+00020640: 312e 3939 2c2d 3733 342e 3538 2036 3939  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1196.8,-494.92 1\n+00020e30: 3232 322e 3637 2c2d 3531 352e 3532 2031  222.67,-515.52 1\n+00020e40: 3238 362e 3931 2c2d 3438 322e 3936 2031  286.91,-482.96 1\n+00020e50: 3330 332e 3137 2c2d 3437 342e 3732 2031  303.17,-474.72 1\n+00020e60: 3330 322e 3236 2c2d 3436 352e 3435 2031  302.26,-465.45 1\n+00020e70: 3331 372e 3931 2c2d 3435 362e 3039 2031  317.91,-456.09 1\n+00020e80: 3334 332e 3736 2c2d 3434 302e 3632 2031  343.76,-440.62 1\n+00020e90: 3337 352e 3432 2c2d 3432 382e 3533 2031  375.42,-428.53 1\n+00020ea0: 3430 312e 3738 2c2d 3432 302e 3322 2f3e  401.78,-420.3\"/>\n+00020eb0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22  .<polygon fill=\"\n+00020ec0: 2332 3832 6663 6322 2073 7472 6f6b 653d  #282fcc\" stroke=\n+00020ed0: 2223 3238 3266 6363 2220 706f 696e 7473  \"#282fcc\" points\n+00020ee0: 3d22 3134 3033 2e30 342c 2d34 3233 2e35  =\"1403.04,-423.5\n+00020ef0: 3820 3134 3131 2e36 2c2d 3431 372e 3334  8 1411.6,-417.34\n+00020f00: 2031 3430 312e 3031 2c2d 3431 362e 3838   1401.01,-416.88\n+00020f10: 2031 3430 332e 3034 2c2d 3432 332e 3538   1403.04,-423.58\n+00020f20: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f  \"/>.</g>.<!-- mo\n+00020f30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00020f40: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d  _mdlib&#45;&gt;m\n+00020f50: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00020f60: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n+00020f70: 5f61 7768 202d 2d3e 0a3c 6720 6964 3d22  _awh -->.<g id=\"\n+00020f80: 6564 6765 3230 3622 2063 6c61 7373 3d22  edge206\" class=\"\n+00020f90: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00020fa0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00020fb0: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d  _mdlib&#45;&gt;m\n+00020fc0: 6f64 756c 655f 7372 635f 6772 6f6d 6163  odule_src_gromac\n+00020fd0: 735f 6170 706c 6965 645f 666f 7263 6573  s_applied_forces\n+00020fe0: 5f61 7768 3c2f 7469 746c 653e 0a3c 7061  _awh</title>.<pa\n+00020ff0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+00021000: 7472 6f6b 653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+00021010: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n+00021020: 3d22 352c 3222 2064 3d22 4d38 3038 2e31  =\"5,2\" d=\"M808.1\n+00021030: 312c 2d39 3035 2e36 3843 3930 302e 3736  1,-905.68C900.76\n+00021040: 2c2d 3839 352e 3638 2031 3230 342e 3034  ,-895.68 1204.04\n+00021050: 2c2d 3836 322e 3935 2031 3330 382e 3837  ,-862.95 1308.87\n+00021060: 2c2d 3835 312e 3633 222f 3e0a 3c70 6f6c  ,-851.63\"/>.<pol\n+00021070: 7967 6f6e 2066 696c 6c3d 2223 3238 3266  ygon fill=\"#282f\n+00021080: 6363 2220 7374 726f 6b65 3d22 2332 3832  cc\" stroke=\"#282\n+00021090: 6663 6322 2070 6f69 6e74 733d 2231 3330  fcc\" points=\"130\n+000210a0: 392e 3339 2c2d 3835 352e 3120 3133 3138  9.39,-855.1 1318\n+000210b0: 2e39 362c 2d38 3530 2e35 3520 3133 3038  .96,-850.55 1308\n+000210c0: 2e36 342c 2d38 3438 2e31 3420 3133 3039  .64,-848.14 1309\n+000210d0: 2e33 392c 2d38 3535 2e31 222f 3e0a 3c2f  .39,-855.1\"/>.</\n+000210e0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+000210f0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962  rc_gromacs_mdlib\n+00021100: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00021110: 7372 635f 7465 7374 7574 696c 7320 2d2d  src_testutils --\n+00021120: 3e0a 3c67 2069 643d 2265 6467 6532 3130  >.<g id=\"edge210\n+00021130: 2220 636c 6173 733d 2265 6467 6522 3e0a  \" class=\"edge\">.\n+00021140: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372  <title>module_sr\n+00021150: 635f 6772 6f6d 6163 735f 6d64 6c69 6226  c_gromacs_mdlib&\n+00021160: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00021170: 7263 5f74 6573 7475 7469 6c73 3c2f 7469  rc_testutils</ti\n+00021180: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+00021190: 226e 6f6e 6522 2073 7472 6f6b 653d 2272  \"none\" stroke=\"r\n+000211a0: 6564 2220 643d 224d 3830 392e 3131 2c2d  ed\" 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2\n+00021290: 3335 332e 3238 2c2d 3835 342e 3034 2032  353.28,-854.04 2\n+000212a0: 3335 342e 3737 2c2d 3836 302e 3838 222f  354.77,-860.88\"/\n+000212b0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475  >.</g>.<!-- modu\n+000212c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+000212d0: 6f64 756c 6172 7369 6d75 6c61 746f 7226  odularsimulator&\n+000212e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+000212f0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e  rc_gromacs_mdrun\n+00021300: 7574 696c 6974 7920 2d2d 3e0a 3c67 2069  utility -->.<g i\n+00021310: 643d 2265 6467 6532 3138 2220 636c 6173  d=\"edge218\" clas\n+00021320: 733d 2265 6467 6522 3e0a 3c74 6974 6c65  s=\"edge\">.<title\n+00021330: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d  >module_src_grom\n+00021340: 6163 735f 6d6f 6475 6c61 7273 696d 756c  acs_modularsimul\n+00021350: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64  ator&#45;&gt;mod\n+00021360: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00021370: 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653d 2223 3238 3266 6363 2220  troke=\"#282fcc\" \n+00021460: 706f 696e 7473 3d22 3139 3536 2e38 342c  points=\"1956.84,\n+00021470: 2d31 3037 342e 3035 2031 3935 382c 2d31  -1074.05 1958,-1\n+00021480: 3038 342e 3539 2031 3936 332e 3636 2c2d  084.59 1963.66,-\n+00021490: 3130 3735 2e36 3320 3139 3536 2e38 342c  1075.63 1956.84,\n+000214a0: 2d31 3037 342e 3035 222f 3e0a 3c2f 673e  -1074.05\"/>.</g>\n+000214b0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263  .<!-- module_src\n+000214c0: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172  _gromacs_modular\n+000214d0: 7369 6d75 6c61 746f 7226 2334 353b 2667  simulator&#45;&g\n+000214e0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+000214f0: 6d61 6373 5f6d 6474 7970 6573 202d 2d3e  macs_mdtypes -->\n+00021500: 0a3c 6720 6964 3d22 6564 6765 3231 3222  .<g id=\"edge212\"\n+00021510: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00021520: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00021530: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172  _gromacs_modular\n+00021540: 7369 6d75 6c61 746f 7226 2334 353b 2667  simulator&#45;&g\n+00021550: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00021560: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469  macs_mdtypes</ti\n+00021570: 746c 653e 0a3c 7061 7468 2066 696c 6c3d  tle>.<path fill=\n+00021580: 226e 6f6e 6522 2073 7472 6f6b 653d 2272  \"none\" stroke=\"r\n+00021590: 6564 2220 643d 224d 3131 3833 2e30 332c  ed\" d=\"M1183.03,\n+000215a0: 2d37 3334 2e30 3843 3132 3130 2e33 352c  -734.08C1210.35,\n+000215b0: 2d37 3533 2e39 2031 3235 382e 3931 2c2d  -753.9 1258.91,-\n+000215c0: 3739 362e 3131 2031 3235 382e 3931 2c2d  796.11 1258.91,-\n+000215d0: 3834 352e 3735 2031 3235 382e 3931 2c2d  845.75 1258.91,-\n+000215e0: 3931 302e 3632 2031 3235 382e 3931 2c2d  910.62 1258.91,-\n+000215f0: 3931 302e 3632 2031 3235 382e 3931 2c2d  910.62 1258.91,-\n+00021600: 3931 302e 3632 2031 3235 382e 3931 2c2d  910.62 1258.91,-\n+00021610: 3934 342e 3734 2031 3235 352e 3038 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c_gromacs_modula\n+00021700: 7273 696d 756c 6174 6f72 2623 3435 3b26  rsimulator&#45;&\n+00021710: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00021720: 6f6d 6163 735f 676d 786c 6962 202d 2d3e  omacs_gmxlib -->\n+00021730: 0a3c 6720 6964 3d22 6564 6765 3232 3122  .<g id=\"edge221\"\n+00021740: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00021750: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00021760: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172  _gromacs_modular\n+00021770: 7369 6d75 6c61 746f 7226 2334 353b 2667  simulator&#45;&g\n+00021780: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00021790: 6d61 6373 5f67 6d78 6c69 623c 2f74 6974  macs_gmxlib</tit\n+000217a0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+000217b0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n+000217c0: 6662 6662 6622 2064 3d22 4d31 3139 392e  fbfbf\" d=\"M1199.\n+000217d0: 3234 2c2d 3730 392e 3531 4331 3232 312e  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c_gromacs_ewald<\n+00021c40: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00021c50: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00021c60: 3d22 7265 6422 2064 3d22 4d31 3131 372e  =\"red\" d=\"M1117.\n+00021c70: 3237 2c2d 3733 302e 3231 4331 3037 332e  27,-730.21C1073.\n+00021c80: 3634 2c2d 3733 382e 3333 2031 3030 372e  64,-738.33 1007.\n+00021c90: 3539 2c2d 3735 322e 3220 3935 312e 3931  59,-752.2 951.91\n+00021ca0: 2c2d 3737 302e 3434 2037 3831 2e33 2c2d  ,-770.44 781.3,-\n+00021cb0: 3832 362e 3334 2035 3837 2e32 352c 2d39  826.34 587.25,-9\n+00021cc0: 3231 2e35 3220 3531 362e 3533 2c2d 3935  21.52 516.53,-95\n+00021cd0: 372e 3332 222f 3e0a 3c70 6f6c 7967 6f6e  7.32\"/>.<polygon\n+00021ce0: 2066 696c 6c3d 2272 6564 2220 7374 726f   fill=\"red\" stro\n+00021cf0: 6b65 3d22 7265 6422 2070 6f69 6e74 733d  ke=\"red\" points=\n+00021d00: 2235 3134 2e37 312c 2d39 3534 2e33 3120  \"514.71,-954.31 \n+00021d10: 3530 372e 3338 2c2d 3936 312e 3936 2035  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gromacs_random</\n+00021e00: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00021e10: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00021e20: 2262 6c61 636b 2220 7374 726f 6b65 2d64  \"black\" stroke-d\n+00021e30: 6173 6861 7272 6179 3d22 352c 3222 2064  asharray=\"5,2\" d\n+00021e40: 3d22 4d31 3230 352e 3532 2c2d 3731 302e  =\"M1205.52,-710.\n+00021e50: 3531 4331 3233 312e 3439 2c2d 3730 3320  51C1231.49,-703 \n+00021e60: 3132 3634 2e38 392c 2d36 3930 2e35 3720  1264.89,-690.57 \n+00021e70: 3132 3839 2e39 312c 2d36 3731 2e35 3720  1289.91,-671.57 \n+00021e80: 3133 3537 2e33 332c 2d36 3230 2e33 3720  1357.33,-620.37 \n+00021e90: 3133 3339 2e37 372c 2d35 3734 2e32 3220  1339.77,-574.22 \n+00021ea0: 3134 3033 2e39 312c 2d35 3138 2e39 3620  1403.91,-518.96 \n+00021eb0: 3134 3239 2e35 322c 2d34 3936 2e39 2031  1429.52,-496.9 1\n+00021ec0: 3434 312e 3533 2c2d 3439 392e 3639 2031  441.53,-499.69 1\n+00021ed0: 3437 302e 3931 2c2d 3438 322e 3936 2031  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5f66 6f72 6365 733c 2f74  listed_forces</t\n+000227b0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c  itle>.<path fill\n+000227c0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22  =\"none\" stroke=\"\n+000227d0: 2332 3832 6663 6322 2073 7472 6f6b 652d  #282fcc\" stroke-\n+000227e0: 6461 7368 6172 7261 793d 2235 2c32 2220  dasharray=\"5,2\" \n+000227f0: 643d 224d 3131 3038 2e35 322c 2d37 3134  d=\"M1108.52,-714\n+00022800: 2e31 3243 3130 3539 2e32 382c 2d37 3037  .12C1059.28,-707\n+00022810: 2e36 3920 3938 362e 3536 2c2d 3639 352e  .69 986.56,-695.\n+00022820: 3031 2039 3236 2e39 312c 2d36 3731 2e35  01 926.91,-671.5\n+00022830: 3720 3833 332e 3538 2c2d 3633 342e 3920  7 833.58,-634.9 \n+00022840: 3536 302e 3931 2c2d 3530 372e 3933 2035  560.91,-507.93 5\n+00022850: 3630 2e39 312c 2d34 3037 2e36 3620 3536  60.91,-407.66 56\n+00022860: 302e 3931 2c2d 3430 372e 3636 2035 3630  0.91,-407.66 560\n+00022870: 2e39 312c 2d34 3037 2e36 3620 3536 302e  .91,-407.66 560.\n+00022880: 3931 2c2d 3334 322e 3739 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6f6d  ;module_src_grom\n+00022970: 6163 735f 7461 736b 6173 7369 676e 6d65  acs_taskassignme\n+00022980: 6e74 202d 2d3e 0a3c 6720 6964 3d22 6564  nt -->.<g id=\"ed\n+00022990: 6765 3232 3622 2063 6c61 7373 3d22 6564  ge226\" class=\"ed\n+000229a0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475  ge\">.<title>modu\n+000229b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d  le_src_gromacs_m\n+000229c0: 6f64 756c 6172 7369 6d75 6c61 746f 7226  odularsimulator&\n+000229d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+000229e0: 7263 5f67 726f 6d61 6373 5f74 6173 6b61  rc_gromacs_taska\n+000229f0: 7373 6967 6e6d 656e 743c 2f74 6974 6c65  ssignment</title\n+00022a00: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f  >.<path fill=\"no\n+00022a10: 6e65 2220 7374 726f 6b65 3d22 7265 6422  ne\" stroke=\"red\"\n+00022a20: 2064 3d22 4d31 3136 382e 3032 2c2d 3730   d=\"M1168.02,-70\n+00022a30: 372e 3239 4331 3137 372e 3739 2c2d 3636  7.29C1177.79,-66\n+00022a40: 372e 3334 2031 3230 372e 3936 2c2d 3534  7.34 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acs_modularsimul\n+00022cf0: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64  ator&#45;&gt;mod\n+00022d00: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00022d10: 636f 6d70 6174 202d 2d3e 0a3c 6720 6964  compat -->.<g id\n+00022d20: 3d22 6564 6765 3231 3522 2063 6c61 7373  =\"edge215\" class\n+00022d30: 3d22 6564 6765 223e 0a3c 7469 746c 653e  =\"edge\">.<title>\n+00022d40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00022d50: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61  cs_modularsimula\n+00022d60: 746f 7226 2334 353b 2667 743b 6d6f 6475  tor&#45;&gt;modu\n+00022d70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63  le_src_gromacs_c\n+00022d80: 6f6d 7061 743c 2f74 6974 6c65 3e0a 3c70  ompat</title>.<p\n+00022d90: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00022da0: 7374 726f 6b65 3d22 2332 3832 6663 6322  stroke=\"#282fcc\"\n+00022db0: 2073 7472 6f6b 652d 6461 7368 6172 7261   stroke-dasharra\n+00022dc0: 793d 2235 2c32 2220 643d 224d 3131 3439  y=\"5,2\" 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src_gromacs_mdli\n+00022f90: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n+00022fa0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00022fb0: 6b65 3d22 7265 6422 2064 3d22 4d31 3132  ke=\"red\" d=\"M112\n+00022fc0: 382e 3638 2c2d 3733 322e 3243 3130 3938  8.68,-732.2C1098\n+00022fd0: 2e35 372c 2d37 3431 2e30 3920 3130 3534  .57,-741.09 1054\n+00022fe0: 2e38 332c 2d37 3534 2e39 3620 3130 3137  .83,-754.96 1017\n+00022ff0: 2e39 312c 2d37 3730 2e34 3420 3936 312e  .91,-770.44 961.\n+00023000: 3636 2c2d 3739 342e 3033 2039 3436 2e31  66,-794.03 946.1\n+00023010: 342c 2d37 3938 2e37 3120 3839 352e 3931  4,-798.71 895.91\n+00023020: 2c2d 3833 332e 3331 2038 3831 2e31 372c  ,-833.31 881.17,\n+00023030: 2d38 3433 2e34 3620 3838 302e 3433 2c2d  -843.46 880.43,-\n+00023040: 3834 392e 3732 2038 3635 2e39 312c 2d38  849.72 865.91,-8\n+00023050: 3630 2e31 3820 3834 372e 3635 2c2d 3837  60.18 847.65,-87\n+00023060: 332e 3333 2038 3235 2e35 332c 2d38 3835  3.33 825.53,-885\n+00023070: 2e38 3420 3830 382e 3433 2c2d 3839 342e  .84 808.43,-894.\n+00023080: 3835 222f 3e0a 3c70 6f6c 7967 6f6e 2066  85\"/>.<polygon f\n+00023090: 696c 6c3d 2272 6564 2220 7374 726f 6b65  ill=\"red\" stroke\n+000230a0: 3d22 7265 6422 2070 6f69 6e74 733d 2238  =\"red\" points=\"8\n+000230b0: 3036 2e37 372c 2d38 3931 2e37 3720 3739  06.77,-891.77 79\n+000230c0: 392e 352c 2d38 3939 2e34 3820 3830 392e  9.5,-899.48 809.\n+000230d0: 3939 2c2d 3839 372e 3938 2038 3036 2e37  99,-897.98 806.7\n+000230e0: 372c 2d38 3931 2e37 3722 2f3e 0a3c 2f67  7,-891.77\"/>.</g\n+000230f0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00023100: 635f 6772 6f6d 6163 735f 6d6f 6475 6c61  c_gromacs_modula\n+00023110: 7273 696d 756c 6174 6f72 2623 3435 3b26  rsimulator&#45;&\n+00023120: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00023130: 6f6d 6163 735f 7075 6c6c 696e 6720 2d2d  omacs_pulling --\n+00023140: 3e0a 3c67 2069 643d 2265 6467 6532 3235  >.<g 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1437.13,-666.\n+00023230: 3535 222f 3e0a 3c70 6f6c 7967 6f6e 2066  55\"/>.<polygon f\n+00023240: 696c 6c3d 2223 3238 3266 6363 2220 7374  ill=\"#282fcc\" st\n+00023250: 726f 6b65 3d22 2332 3832 6663 6322 2070  roke=\"#282fcc\" p\n+00023260: 6f69 6e74 733d 2231 3433 382e 3038 2c2d  oints=\"1438.08,-\n+00023270: 3636 392e 3933 2031 3434 372e 3232 2c2d  669.93 1447.22,-\n+00023280: 3636 342e 3537 2031 3433 362e 3733 2c2d  664.57 1436.73,-\n+00023290: 3636 332e 3037 2031 3433 382e 3038 2c2d  663.07 1438.08,-\n+000232a0: 3636 392e 3933 222f 3e0a 3c2f 673e 0a3c  669.93\"/>.</g>.<\n+000232b0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67  !-- module_src_g\n+000232c0: 726f 6d61 6373 5f74 696d 696e 6720 2d2d  romacs_timing --\n+000232d0: 3e0a 3c67 2069 643d 226e 6f64 6534 3122  >.<g id=\"node41\"\n+000232e0: 2063 6c61 7373 3d22 6e6f 6465 223e 0a3c   class=\"node\">.<\n+000232f0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00023300: 5f67 726f 6d61 6373 5f74 696d 696e 673c  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module_src_groma\n+000235b0: 6373 5f67 7075 5f75 7469 6c73 202d 2d3e  cs_gpu_utils -->\n+000235c0: 0a3c 6720 6964 3d22 6564 6765 3232 3822  .<g id=\"edge228\"\n+000235d0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+000235e0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+000235f0: 5f67 726f 6d61 6373 5f75 7469 6c69 7479  _gromacs_utility\n+00023600: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00023610: 7372 635f 6772 6f6d 6163 735f 6770 755f  src_gromacs_gpu_\n+00023620: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70  utils</title>.<p\n+00023630: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00023640: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00023650: 2064 3d22 4d38 3539 2e39 382c 2d34 3536   d=\"M859.98,-456\n+00023660: 2e32 3143 3835 322e 3536 2c2d 3433 352e  .21C852.56,-435.\n+00023670: 3536 2038 3433 2e30 342c 2d33 3933 2e36  56 843.04,-393.6\n+00023680: 3720 3833 392e 352c 2d33 3637 2e35 3422  7 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ass=\"edge\">.<tit\n+00023770: 6c65 3e6d 6f64 756c 655f 7372 635f 6772  le>module_src_gr\n+00023780: 6f6d 6163 735f 7574 696c 6974 7926 2334  omacs_utility&#4\n+00023790: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+000237a0: 5f67 726f 6d61 6373 5f63 6f6d 7061 743c  _gromacs_compat<\n+000237b0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+000237c0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+000237d0: 3d22 2332 3832 6663 6322 2064 3d22 4d38  =\"#282fcc\" d=\"M8\n+000237e0: 3735 2e39 372c 2d34 3536 2e37 3943 3838  75.97,-456.79C88\n+000237f0: 322e 3332 2c2d 3434 382e 3536 2038 3930  2.32,-448.56 890\n+00023800: 2e39 382c 2d34 3337 2e33 3520 3839 382e  .98,-437.35 898.\n+00023810: 3432 2c2d 3432 372e 3732 222f 3e0a 3c70  42,-427.72\"/>.<p\n+00023820: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238  olygon fill=\"#28\n+00023830: 3266 6363 2220 7374 726f 6b65 3d22 2332  2fcc\" stroke=\"#2\n+00023840: 3832 6663 6322 2070 6f69 6e74 733d 2239  82fcc\" 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5;&gt;module_src\n+00023930: 5f67 726f 6d61 6373 5f6d 6474 7970 6573  _gromacs_mdtypes\n+00023940: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+00023950: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+00023960: 653d 2223 6266 6266 6266 2220 643d 224d  e=\"#bfbfbf\" d=\"M\n+00023970: 3136 3236 2e31 362c 2d34 3833 2e31 3743  1626.16,-483.17C\n+00023980: 3136 3437 2e36 352c 2d35 3438 2e31 3420  1647.65,-548.14 \n+00023990: 3137 3431 2e37 2c2d 3834 342e 3331 2031  1741.7,-844.31 1\n+000239a0: 3639 362e 3931 2c2d 3932 332e 3035 2031  696.91,-923.05 1\n+000239b0: 3639 362e 3039 2c2d 3932 342e 3520 3135  696.09,-924.5 15\n+000239c0: 3936 2e34 362c 2d39 3835 2e33 3220 3135  96.46,-985.32 15\n+000239d0: 3934 2e39 312c 2d39 3835 2e39 3220 3135  94.91,-985.92 15\n+000239e0: 3237 2e30 392c 2d31 3031 322e 3337 2031  27.09,-1012.37 1\n+000239f0: 3434 332e 3039 2c2d 3130 3234 2e38 3320  443.09,-1024.83 \n+00023a00: 3133 3931 2e37 382c 2d31 3033 302e 3336  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6479 6e61 6d69 6373  ssentialdynamics\n+00023f60: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00023f70: 7372 635f 6772 6f6d 6163 735f 6d64 7275  src_gromacs_mdru\n+00023f80: 6e75 7469 6c69 7479 3c2f 7469 746c 653e  nutility</title>\n+00023f90: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+00023fa0: 6522 2073 7472 6f6b 653d 2223 3238 3266  e\" stroke=\"#282f\n+00023fb0: 6363 2220 7374 726f 6b65 2d64 6173 6861  cc\" stroke-dasha\n+00023fc0: 7272 6179 3d22 352c 3222 2064 3d22 4d31  rray=\"5,2\" d=\"M1\n+00023fd0: 3530 392e 3039 2c2d 3431 342e 3843 3135  509.09,-414.8C15\n+00023fe0: 3233 2e30 352c 2d34 3136 2e35 3720 3135  23.05,-416.57 15\n+00023ff0: 3338 2e30 332c 2d34 3138 2e34 3320 3135  38.03,-418.43 15\n+00024000: 3531 2e39 312c 2d34 3230 2e30 3920 3136  51.91,-420.09 16\n+00024010: 3738 2e39 312c 2d34 3335 2e32 3520 3230  78.91,-435.25 20\n+00024020: 3332 2e37 392c 2d34 3234 2e33 3920 3231  32.79,-424.39 21\n+00024030: 3138 2e39 312c 2d35 3138 2e39 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<title>module_sr\n+00024200: 635f 6772 6f6d 6163 735f 6573 7365 6e74  c_gromacs_essent\n+00024210: 6961 6c64 796e 616d 6963 7326 2334 353b  ialdynamics&#45;\n+00024220: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67  &gt;module_src_g\n+00024230: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f  romacs_mdtypes</\n+00024240: 7469 746c 653e 0a3c 7061 7468 2066 696c  title>.<path fil\n+00024250: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d  l=\"none\" stroke=\n+00024260: 2223 6266 6266 6266 2220 643d 224d 3135  \"#bfbfbf\" d=\"M15\n+00024270: 3039 2e33 352c 2d34 3134 2e37 3943 3135  09.35,-414.79C15\n+00024280: 3233 2e32 342c 2d34 3136 2e35 3520 3135  23.24,-416.55 15\n+00024290: 3338 2e31 322c 2d34 3138 2e34 3120 3135  38.12,-418.41 15\n+000242a0: 3531 2e39 312c 2d34 3230 2e30 3920 3136  51.91,-420.09 16\n+000242b0: 3230 2e35 332c 2d34 3238 2e34 3420 3138  20.53,-428.44 18\n+000242c0: 3133 2e31 332c 2d34 3036 2e31 3320 3138  13.13,-406.13 18\n+000242d0: 3630 2e39 312c 2d34 3536 2e30 3920 3138  60.91,-456.09 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312c 2d38 3333 2e33 3120 3138 3535  .91,-833.31 1855\n+000243d0: 2e33 2c2d 3837 322e 3833 2031 3837 322e  .3,-872.83 1872.\n+000243e0: 3237 2c2d 3839 302e 3032 2031 3834 392e  27,-890.02 1849.\n+000243f0: 3931 2c2d 3932 332e 3035 2031 3832 352e  91,-923.05 1825.\n+00024400: 3736 2c2d 3935 382e 3733 2031 3739 362e  76,-958.73 1796.\n+00024410: 3531 2c2d 3933 362e 3333 2031 3735 392e  51,-936.33 1759.\n+00024420: 3931 2c2d 3935 392e 3035 2031 3734 342e  91,-959.05 1744.\n+00024430: 372c 2d39 3638 2e34 3920 3137 3436 2e31  7,-968.49 1746.1\n+00024440: 392c 2d39 3738 2e35 2031 3732 392e 3931  9,-978.5 1729.91\n+00024450: 2c2d 3938 352e 3932 2031 3637 302e 3733  ,-985.92 1670.73\n+00024460: 2c2d 3130 3132 2e39 2031 3438 312e 3737  ,-1012.9 1481.77\n+00024470: 2c2d 3130 3236 2e37 3420 3133 3932 2e34  ,-1026.74 1392.4\n+00024480: 392c 2d31 3033 312e 3931 222f 3e0a 3c70  9,-1031.91\"/>.<p\n+00024490: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  olygon fill=\"#bf\n+000244a0: 6266 6266 2220 7374 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726f 6d61  module_src_groma\n+00024590: 6373 5f65 7373 656e 7469 616c 6479 6e61  cs_essentialdyna\n+000245a0: 6d69 6373 2623 3435 3b26 6774 3b6d 6f64  mics&#45;&gt;mod\n+000245b0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000245c0: 676d 786c 6962 3c2f 7469 746c 653e 0a3c  gmxlib</title>.<\n+000245d0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+000245e0: 2073 7472 6f6b 653d 2223 6266 6266 6266   stroke=\"#bfbfbf\n+000245f0: 2220 643d 224d 3134 3536 2e38 372c 2d33  \" d=\"M1456.87,-3\n+00024600: 3932 2e38 4331 3436 352e 3038 2c2d 3335  92.8C1465.08,-35\n+00024610: 392e 3231 2031 3439 302e 3631 2c2d 3236  9.21 1490.61,-26\n+00024620: 372e 3132 2031 3533 362e 3931 2c2d 3230  7.12 1536.91,-20\n+00024630: 342e 3631 2031 3534 362e 3038 2c2d 3139  4.61 1546.08,-19\n+00024640: 322e 3232 2031 3535 392e 3131 2c2d 3138  2.22 1559.11,-18\n+00024650: 312e 3039 2031 3537 302e 3538 2c2d 3137  1.09 1570.58,-17\n+00024660: 322e 3633 222f 3e0a 3c70 6f6c 7967 6f6e  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6564 6765 3234 3222 2063  g id=\"edge242\" c\n+00025810: 6c61 7373 3d22 6564 6765 223e 0a3c 7469  lass=\"edge\">.<ti\n+00025820: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67  tle>module_src_g\n+00025830: 726f 6d61 6373 5f61 7070 6c69 6564 5f66  romacs_applied_f\n+00025840: 6f72 6365 7326 2334 353b 2667 743b 6d6f  orces&#45;&gt;mo\n+00025850: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00025860: 5f6d 6474 7970 6573 3c2f 7469 746c 653e  _mdtypes</title>\n+00025870: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e  .<path fill=\"non\n+00025880: 6522 2073 7472 6f6b 653d 2223 6266 6266  e\" stroke=\"#bfbf\n+00025890: 6266 2220 643d 224d 3130 3832 2e38 392c  bf\" d=\"M1082.89,\n+000258a0: 2d34 3833 2e31 4331 3131 362e 3537 2c2d  -483.1C1116.57,-\n+000258b0: 3531 362e 3437 2031 3230 372e 3533 2c2d  516.47 1207.53,-\n+000258c0: 3631 312e 3238 2031 3235 352e 3931 2c2d  611.28 1255.91,-\n+000258d0: 3730 372e 3537 2031 3238 332e 3631 2c2d  707.57 1283.61,-\n+000258e0: 3736 322e 3720 3133 3235 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ld</title>.<path\n+00025ff0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00026000: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n+00026010: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+00026020: 352c 3222 2064 3d22 4d31 3032 302e 362c  5,2\" d=\"M1020.6,\n+00026030: 2d34 3736 2e32 3443 3930 362e 3234 2c2d  -476.24C906.24,-\n+00026040: 3439 322e 3031 2036 3230 2e31 352c 2d35  492.01 620.15,-5\n+00026050: 3436 2e32 3120 3435 352e 3931 2c2d 3730  46.21 455.91,-70\n+00026060: 372e 3537 2034 3033 2e39 322c 2d37 3538  7.57 403.92,-758\n+00026070: 2e36 3520 3337 382e 3931 2c2d 3738 392e  .65 378.91,-789.\n+00026080: 3331 2033 3935 2e39 312c 2d38 3630 2e31  31 395.91,-860.1\n+00026090: 3820 3430 332e 3232 2c2d 3839 302e 3637  8 403.22,-890.67\n+000260a0: 2034 3038 2e30 372c 2d38 3938 2e37 3820   408.07,-898.78 \n+000260b0: 3432 372e 3931 2c2d 3932 332e 3035 2034  427.91,-923.05 4\n+000260c0: 3338 2e31 372c 2d39 3335 2e36 2034 3532  38.17,-935.6 452\n+000260d0: 2e32 2c2d 3934 372e 3032 2034 3634 2e32  .2,-947.02 464.2\n+000260e0: 322c 2d39 3535 2e36 3222 2f3e 0a3c 706f  2,-955.62\"/>.<po\n+000260f0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832  lygon fill=\"#282\n+00026100: 6663 6322 2073 7472 6f6b 653d 2223 3238  fcc\" stroke=\"#28\n+00026110: 3266 6363 2220 706f 696e 7473 3d22 3436  2fcc\" points=\"46\n+00026120: 322e 3331 2c2d 3935 382e 3535 2034 3732  2.31,-958.55 472\n+00026130: 2e35 332c 2d39 3631 2e33 3520 3436 362e  .53,-961.35 466.\n+00026140: 3239 2c2d 3935 322e 3739 2034 3632 2e33  29,-952.79 462.3\n+00026150: 312c 2d39 3538 2e35 3522 2f3e 0a3c 2f67  1,-958.55\"/>.</g\n+00026160: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372  >.<!-- module_sr\n+00026170: 635f 6772 6f6d 6163 735f 6170 706c 6965  c_gromacs_applie\n+00026180: 645f 666f 7263 6573 2623 3435 3b26 6774  d_forces&#45;&gt\n+00026190: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d  ;module_src_grom\n+000261a0: 6163 735f 7261 6e64 6f6d 202d 2d3e 0a3c  acs_random 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0.5,-928.48 254.\n+00027340: 3034 2c2d 3932 322e 3434 222f 3e0a 3c2f  04,-922.44\"/>.</\n+00027350: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00027360: 7263 5f67 726f 6d61 6373 5f63 6f72 7265  rc_gromacs_corre\n+00027370: 6c61 7469 6f6e 6675 6e63 7469 6f6e 7326  lationfunctions&\n+00027380: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00027390: 7263 5f67 726f 6d61 6373 5f66 696c 6569  rc_gromacs_filei\n+000273a0: 6f20 2d2d 3e0a 3c67 2069 643d 2265 6467  o -->.<g id=\"edg\n+000273b0: 6532 3536 2220 636c 6173 733d 2265 6467  e256\" class=\"edg\n+000273c0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c  e\">.<title>modul\n+000273d0: 655f 7372 635f 6772 6f6d 6163 735f 636f  e_src_gromacs_co\n+000273e0: 7272 656c 6174 696f 6e66 756e 6374 696f  rrelationfunctio\n+000273f0: 6e73 2623 3435 3b26 6774 3b6d 6f64 756c  ns&#45;&gt;modul\n+00027400: 655f 7372 635f 6772 6f6d 6163 735f 6669  e_src_gromacs_fi\n+00027410: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061  leio</title>.<pa\n+00027420: 7468 2066 696c 6c3d 226e 6f6e 6522 2073  th fill=\"none\" s\n+00027430: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+00027440: 643d 224d 3339 312e 3033 2c2d 3936 352e  d=\"M391.03,-965.\n+00027450: 3139 4334 3130 2e31 362c 2d39 3633 2e32  19C410.16,-963.2\n+00027460: 2034 3331 2e34 322c 2d39 3631 2e30 3220   431.42,-961.02 \n+00027470: 3435 302e 3931 2c2d 3935 392e 3035 2036  450.91,-959.05 6\n+00027480: 3133 2e39 372c 2d39 3432 2e36 2036 3538  13.97,-942.6 658\n+00027490: 2e32 352c 2d39 3630 2e30 3920 3831 372e  .25,-960.09 817.\n+000274a0: 3931 2c2d 3932 332e 3035 2038 3935 2e35  91,-923.05 895.5\n+000274b0: 372c 2d39 3035 2e30 3420 3931 332e 332c  7,-905.04 913.3,\n+000274c0: 2d38 3933 2e31 2039 3835 2e39 312c 2d38  -893.1 985.91,-8\n+000274d0: 3630 2e31 3820 3130 3038 2e38 392c 2d38  60.18 1008.89,-8\n+000274e0: 3439 2e37 3620 3130 3132 2e39 342c 2d38  49.76 1012.94,-8\n+000274f0: 3433 2e37 3420 3130 3335 2e39 312c 2d38  43.74 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-->.\n+00027c00: 3c67 2069 643d 2265 6467 6532 3631 2220  <g id=\"edge261\" \n+00027c10: 636c 6173 733d 2265 6467 6522 3e0a 3c74  class=\"edge\">.<t\n+00027c20: 6974 6c65 3e6d 6f64 756c 655f 7372 635f  itle>module_src_\n+00027c30: 6772 6f6d 6163 735f 7075 6c6c 696e 6726  gromacs_pulling&\n+00027c40: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00027c50: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61  rc_gromacs_comma\n+00027c60: 6e64 6c69 6e65 3c2f 7469 746c 653e 0a3c  ndline</title>.<\n+00027c70: 7061 7468 2066 696c 6c3d 226e 6f6e 6522  path fill=\"none\"\n+00027c80: 2073 7472 6f6b 653d 2262 6c61 636b 2220   stroke=\"black\" \n+00027c90: 7374 726f 6b65 2d64 6173 6861 7272 6179  stroke-dasharray\n+00027ca0: 3d22 352c 3222 2064 3d22 4d31 3439 362e  =\"5,2\" d=\"M1496.\n+00027cb0: 3235 2c2d 3634 382e 3136 4331 3537 362e  25,-648.16C1576.\n+00027cc0: 3036 2c2d 3631 342e 3534 2031 3835 332e  06,-614.54 1853.\n+00027cd0: 3236 2c2d 3439 372e 3220 3138 3637 2e39  26,-497.2 1867.9\n+00027ce0: 312c 2d34 3832 2e39 3620 3138 3934 2e35  1,-482.96 1894.5\n+00027cf0: 312c 2d34 3537 2e31 3120 3139 3033 2e39  1,-457.11 1903.9\n+00027d00: 312c 2d34 3434 2e37 3520 3139 3033 2e39  1,-444.75 1903.9\n+00027d10: 312c 2d34 3037 2e36 3620 3139 3033 2e39  1,-407.66 1903.9\n+00027d20: 312c 2d34 3037 2e36 3620 3139 3033 2e39  1,-407.66 1903.9\n+00027d30: 312c 2d34 3037 2e36 3620 3139 3033 2e39  1,-407.66 1903.9\n+00027d40: 312c 2d32 3137 2e30 3520 3139 3033 2e39  1,-217.05 1903.9\n+00027d50: 312c 2d31 3633 2e38 3620 3138 3630 2e32  1,-163.86 1860.2\n+00027d60: 332c 2d31 3631 2e36 3420 3138 3130 2e39  3,-161.64 1810.9\n+00027d70: 312c 2d31 3431 2e37 3420 3137 3235 2e30  1,-141.74 1725.0\n+00027d80: 372c 2d31 3037 2e31 2031 3438 382c 2d31  7,-107.1 1488,-1\n+00027d90: 3135 2e31 3320 3133 3935 2e39 312c 2d31  15.13 1395.91,-1\n+00027da0: 3035 2e37 3420 3133 3739 2e36 352c 2d31  05.74 1379.65,-1\n+00027db0: 3034 2e30 3820 3133 3632 2e30 322c 2d31  04.08 1362.02,-1\n+00027dc0: 3032 2e30 3920 3133 3435 2e38 382c 2d31  02.09 1345.88,-1\n+00027dd0: 3030 2e31 3922 2f3e 0a3c 706f 6c79 676f  00.19\"/>.<polygo\n+00027de0: 6e20 6669 6c6c 3d22 626c 6163 6b22 2073  n fill=\"black\" s\n+00027df0: 7472 6f6b 653d 2262 6c61 636b 2220 706f  troke=\"black\" po\n+00027e00: 696e 7473 3d22 3133 3435 2e38 372c 2d39  ints=\"1345.87,-9\n+00027e10: 362e 3637 2031 3333 352e 3533 2c2d 3938  6.67 1335.53,-98\n+00027e20: 2e39 3620 3133 3435 2e30 352c 2d31 3033  .96 1345.05,-103\n+00027e30: 2e36 3220 3133 3435 2e38 372c 2d39 362e  .62 1345.87,-96.\n+00027e40: 3637 222f 3e0a 3c2f 673e 0a3c 212d 2d20  67\"/>.</g>.<!-- \n+00027e50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00027e60: 6373 5f70 756c 6c69 6e67 2623 3435 3b26  cs_pulling&#45;&\n+00027e70: 6774 3b6d 6f64 756c 655f 7372 635f 6772  gt;module_src_gr\n+00027e80: 6f6d 6163 735f 646f 6d64 6563 202d 2d3e  omacs_domdec -->\n+00027e90: 0a3c 6720 6964 3d22 6564 6765 3235 3822  .<g id=\"edge258\"\n+00027ea0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c   class=\"edge\">.<\n+00027eb0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263  title>module_src\n+00027ec0: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67  _gromacs_pulling\n+00027ed0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00027ee0: 7372 635f 6772 6f6d 6163 735f 646f 6d64  src_gromacs_domd\n+00027ef0: 6563 3c2f 7469 746c 653e 0a3c 7061 7468  ec</title>.<path\n+00027f00: 2066 696c 6c3d 226e 6f6e 6522 2073 7472   fill=\"none\" str\n+00027f10: 6f6b 653d 2223 3238 3266 6363 2220 7374  oke=\"#282fcc\" st\n+00027f20: 726f 6b65 2d64 6173 6861 7272 6179 3d22  roke-dasharray=\"\n+00027f30: 352c 3222 2064 3d22 4d31 3434 362e 3131  5,2\" d=\"M1446.11\n+00027f40: 2c2d 3635 322e 3831 4331 3337 352e 3833  ,-652.81C1375.83\n+00027f50: 2c2d 3634 322e 3234 2031 3139 352e 3239  ,-642.24 1195.29\n+00027f60: 2c2d 3631 352e 3131 2031 3131 322e 3532  ,-615.11 1112.52\n+00027f70: 2c2d 3630 322e 3637 222f 3e0a 3c70 6f6c  ,-602.67\"/>.<pol\n+00027f80: 7967 6f6e 2066 696c 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6f6d 6163  odule_src_gromac\n+00028070: 735f 7075 6c6c 696e 6726 2334 353b 2667  s_pulling&#45;&g\n+00028080: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f  t;module_src_gro\n+00028090: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974  macs_fileio</tit\n+000280a0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22  le>.<path fill=\"\n+000280b0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362  none\" stroke=\"#b\n+000280c0: 6662 6662 6622 2064 3d22 4d31 3435 352e  fbfbf\" d=\"M1455.\n+000280d0: 3931 2c2d 3636 382e 3936 4331 3432 362e  91,-668.96C1426.\n+000280e0: 3134 2c2d 3638 342e 3134 2031 3336 362e  14,-684.14 1366.\n+000280f0: 3434 2c2d 3731 332e 3731 2031 3331 332e  44,-713.71 1313.\n+00028100: 3931 2c2d 3733 342e 3434 2031 3237 342e  91,-734.44 1274.\n+00028110: 3437 2c2d 3735 302e 3031 2031 3232 372e  47,-750.01 1227.\n+00028120: 3832 2c2d 3736 342e 3537 2031 3139 372e  82,-764.57 1197.\n+00028130: 3336 2c2d 3737 332e 3539 222f 3e0a 3c70  36,-773.59\"/>.<p\n+00028140: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266  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6475 6c65 5f73 7263 5f67 726f  e>module_src_gro\n+000284e0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72  macs_applied_for\n+000284f0: 6365 735f 6177 6826 2334 353b 2667 743b  ces_awh&#45;&gt;\n+00028500: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61  module_src_groma\n+00028510: 6373 5f6d 6472 756e 7574 696c 6974 793c  cs_mdrunutility<\n+00028520: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669  /title>.<path fi\n+00028530: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65  ll=\"none\" stroke\n+00028540: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+00028550: 652d 6461 7368 6172 7261 793d 2235 2c32  e-dasharray=\"5,2\n+00028560: 2220 643d 224d 3133 3633 2e38 312c 2d38  \" d=\"M1363.81,-8\n+00028570: 3536 2e36 3343 3133 3934 2e36 322c 2d38  56.63C1394.62,-8\n+00028580: 3731 2e30 3420 3134 3537 2e36 392c 2d39  71.04 1457.69,-9\n+00028590: 3030 2e31 3920 3135 3131 2e39 312c 2d39  00.19 1511.91,-9\n+000285a0: 3233 2e30 3520 3136 3631 2e33 2c2d 3938  23.05 1661.3,-98\n+000285b0: 362e 3036 2031 3834 312e 392c 2d31 3035  6.06 1841.9,-105\n+000285c0: 342e 3739 2031 3931 382e 3133 2c2d 3130  4.79 1918.13,-10\n+000285d0: 3833 2e34 3622 2f3e 0a3c 706f 6c79 676f  83.46\"/>.<polygo\n+000285e0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322  n fill=\"#282fcc\"\n+000285f0: 2073 7472 6f6b 653d 2223 3238 3266 6363   stroke=\"#282fcc\n+00028600: 2220 706f 696e 7473 3d22 3139 3137 2e31  \" points=\"1917.1\n+00028610: 362c 2d31 3038 362e 3834 2031 3932 372e  6,-1086.84 1927.\n+00028620: 3735 2c2d 3130 3837 2e30 3820 3139 3139  75,-1087.08 1919\n+00028630: 2e36 322c 2d31 3038 302e 3239 2031 3931  .62,-1080.29 191\n+00028640: 372e 3136 2c2d 3130 3836 2e38 3422 2f3e  7.16,-1086.84\"/>\n+00028650: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c  .</g>.<!-- modul\n+00028660: 655f 7372 635f 6772 6f6d 6163 735f 6170  e_src_gromacs_ap\n+00028670: 706c 6965 645f 666f 7263 6573 5f61 7768  plied_forces_awh\n+00028680: 2623 3435 3b26 6774 3b6d 6f64 756c 655f  &#45;&gt;module_\n+00028690: 7372 635f 6772 6f6d 6163 735f 6d64 7479  src_gromacs_mdty\n+000286a0: 7065 7320 2d2d 3e0a 3c67 2069 643d 2265  pes -->.<g id=\"e\n+000286b0: 6467 6532 3730 2220 636c 6173 733d 2265  dge270\" class=\"e\n+000286c0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64  dge\">.<title>mod\n+000286d0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+000286e0: 6170 706c 6965 645f 666f 7263 6573 5f61  applied_forces_a\n+000286f0: 7768 2623 3435 3b26 6774 3b6d 6f64 756c  wh&#45;&gt;modul\n+00028700: 655f 7372 635f 6772 6f6d 6163 735f 6d64  e_src_gromacs_md\n+00028710: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70  types</title>.<p\n+00028720: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00028730: 7374 726f 6b65 3d22 2362 6662 6662 6622  stroke=\"#bfbfbf\"\n+00028740: 2064 3d22 4d31 3334 382e 352c 2d38 3630   d=\"M1348.5,-860\n+00028750: 2e32 3343 3133 3532 2e33 352c 2d38 3931  .23C1352.35,-891\n+00028760: 2e32 3420 3133 3532 2e36 382c 2d39 3732  .24 1352.68,-972\n+00028770: 2e31 3720 3133 3439 2e35 2c2d 3130 3131  .17 1349.5,-1011\n+00028780: 2e38 3122 2f3e 0a3c 706f 6c79 676f 6e20  .81\"/>.<polygon \n+00028790: 6669 6c6c 3d22 2362 6662 6662 6622 2073  fill=\"#bfbfbf\" s\n+000287a0: 7472 6f6b 653d 2223 6266 6266 6266 2220  troke=\"#bfbfbf\" \n+000287b0: 706f 696e 7473 3d22 3133 3436 2e30 312c  points=\"1346.01,\n+000287c0: 2d31 3031 312e 3533 2031 3334 382e 352c  -1011.53 1348.5,\n+000287d0: 2d31 3032 312e 3832 2031 3335 322e 3937  -1021.82 1352.97\n+000287e0: 2c2d 3130 3132 2e32 3220 3133 3436 2e30  ,-1012.22 1346.0\n+000287f0: 312c 2d31 3031 312e 3533 222f 3e0a 3c2f  1,-1011.53\"/>.</\n+00028800: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73  g>.<!-- module_s\n+00028810: 7263 5f67 726f 6d61 6373 5f61 7070 6c69  rc_gromacs_appli\n+00028820: 6564 5f66 6f72 6365 735f 6177 6826 2334  ed_forces_awh&#4\n+00028830: 353b 2667 743b 6d6f 6475 6c65 5f73 7263  5;&gt;module_src\n+00028840: 5f67 726f 6d61 6373 5f6d 6473 7061 6e20  _gromacs_mdspan \n+00028850: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532  -->.<g id=\"edge2\n+00028860: 3734 2220 636c 6173 733d 2265 6467 6522  74\" class=\"edge\"\n+00028870: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f  >.<title>module_\n+00028880: 7372 635f 6772 6f6d 6163 735f 6170 706c  src_gromacs_appl\n+00028890: 6965 645f 666f 7263 6573 5f61 7768 2623  ied_forces_awh&#\n+000288a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+000288b0: 635f 6772 6f6d 6163 735f 6d64 7370 616e  c_gromacs_mdspan\n+000288c0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066  </title>.<path f\n+000288d0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b  ill=\"none\" strok\n+000288e0: 653d 2223 3238 3266 6363 2220 7374 726f  e=\"#282fcc\" stro\n+000288f0: 6b65 2d64 6173 6861 7272 6179 3d22 352c  ke-dasharray=\"5,\n+00028900: 3222 2064 3d22 4d31 3336 352e 3733 2c2d  2\" d=\"M1365.73,-\n+00028910: 3833 372e 3933 4331 3338 382e 3238 2c2d  837.93C1388.28,-\n+00028920: 3832 392e 3136 2031 3432 352e 3032 2c2d  829.16 1425.02,-\n+00028930: 3831 332e 3937 2031 3435 342e 3931 2c2d  813.97 1454.91,-\n+00028940: 3739 372e 3331 2031 3636 342e 3835 2c2d  797.31 1664.85,-\n+00028950: 3638 302e 3332 2031 3736 372e 3638 2c2d  680.32 1767.68,-\n+00028960: 3638 362e 3836 2031 3839 342e 3931 2c2d  686.86 1894.91,-\n+00028970: 3438 322e 3936 2031 3934 362e 3735 2c2d  482.96 1946.75,-\n+00028980: 3339 392e 3838 2031 3931 382e 3038 2c2d  399.88 1918.08,-\n+00028990: 3333 362e 3820 3138 3438 2e39 312c 2d32  336.8 1848.91,-2\n+000289a0: 3637 2e34 3820 3137 3731 2e35 322c 2d31  67.48 1771.52,-1\n+000289b0: 3839 2e39 3420 3137 3433 2e32 2c2d 3136  89.94 1743.2,-16\n+000289c0: 382e 3235 2031 3633 362e 3931 2c2d 3134  8.25 1636.91,-14\n+000289d0: 312e 3734 2031 3531 372e 3333 2c2d 3131  1.74 1517.33,-11\n+000289e0: 312e 3932 2036 3334 2e34 2c2d 3937 2e31  1.92 634.4,-97.1\n+000289f0: 3220 3432 312e 3136 2c2d 3933 2e39 3622  2 421.16,-93.96\"\n+00028a00: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c  />.<polygon fill\n+00028a10: 3d22 2332 3832 6663 6322 2073 7472 6f6b  =\"#282fcc\" strok\n+00028a20: 653d 2223 3238 3266 6363 2220 706f 696e  e=\"#282fcc\" poin\n+00028a30: 7473 3d22 3432 302e 3939 2c2d 3930 2e34  ts=\"420.99,-90.4\n+00028a40: 3620 3431 302e 3934 2c2d 3933 2e38 3120  6 410.94,-93.81 \n+00028a50: 3432 302e 3839 2c2d 3937 2e34 3520 3432  420.89,-97.45 42\n+00028a60: 302e 3939 2c2d 3930 2e34 3622 2f3e 0a3c  0.99,-90.46\"/>.<\n+00028a70: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f  /g>.<!-- module_\n+00028a80: 7372 635f 6772 6f6d 6163 735f 6170 706c  src_gromacs_appl\n+00028a90: 6965 645f 666f 7263 6573 5f61 7768 2623  ied_forces_awh&#\n+00028aa0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372  45;&gt;module_sr\n+00028ab0: 635f 6772 6f6d 6163 735f 676d 786c 6962  c_gromacs_gmxlib\n+00028ac0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765   -->.<g id=\"edge\n+00028ad0: 3237 3322 2063 6c61 7373 3d22 6564 6765  273\" class=\"edge\n+00028ae0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65  \">.<title>module\n+00028af0: 5f73 7263 5f67 726f 6d61 6373 5f61 7070  _src_gromacs_app\n+00028b00: 6c69 6564 5f66 6f72 6365 735f 6177 6826  lied_forces_awh&\n+00028b10: 2334 353b 2667 743b 6d6f 6475 6c65 5f73  #45;&gt;module_s\n+00028b20: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69  rc_gromacs_gmxli\n+00028b30: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820  b</title>.<path \n+00028b40: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f  fill=\"none\" stro\n+00028b50: 6b65 3d22 2362 6662 6662 6622 2064 3d22  ke=\"#bfbfbf\" d=\"\n+00028b60: 4d31 3336 352e 3634 2c2d 3833 372e 3843  M1365.64,-837.8C\n+00028b70: 3133 3730 2e35 392c 2d38 3336 2e31 3220  1370.59,-836.12 \n+00028b80: 3133 3735 2e38 392c 2d38 3334 2e35 2031  1375.89,-834.5 1\n+00028b90: 3338 302e 3931 2c2d 3833 332e 3331 2031  380.91,-833.31 1\n+00028ba0: 3439 382e 3238 2c2d 3830 352e 3438 2031  498.28,-805.48 1\n+00028bb0: 3534 322e 3133 2c2d 3835 312e 3437 2031  542.13,-851.47 1\n+00028bc0: 3634 392e 3931 2c2d 3739 372e 3331 2031  649.91,-797.31 1\n+00028bd0: 3736 392e 342c 2d37 3337 2e32 3720 3137  769.4,-737.27 17\n+00028be0: 3630 2e34 352c 2d36 3731 2e32 3320 3138  60.45,-671.23 18\n+00028bf0: 3539 2e39 312c 2d35 3831 2e38 3320 3138  59.91,-581.83 18\n+00028c00: 3933 2e35 342c 2d35 3531 2e36 2031 3930  93.54,-551.6 190\n+00028c10: 332e 392c 2d35 3436 2e33 3220 3139 3339  3.9,-546.32 1939\n+00028c20: 2e39 312c 2d35 3138 2e39 3620 3139 3631  .91,-518.96 1961\n+00028c30: 2e34 322c 2d35 3032 2e36 3120 3139 3732  .42,-502.61 1972\n+00028c40: 2e33 382c 2d35 3034 2e33 3420 3139 3838  .38,-504.34 1988\n+00028c50: 2e39 312c 2d34 3832 2e39 3620 3230 3239  .91,-482.96 2029\n+00028c60: 2e33 332c 2d34 3330 2e36 3620 3230 3433  .33,-430.66 2043\n+00028c70: 2e39 312c 2d34 3130 2e38 3820 3230 3433  .91,-410.88 2043\n+00028c80: 2e39 312c 2d33 3434 2e37 3920 3230 3433  .91,-344.79 2043\n+00028c90: 2e39 312c 2d33 3434 2e37 3920 3230 3433  .91,-344.79 2043\n+00028ca0: 2e39 312c 2d33 3434 2e37 3920 3230 3433  .91,-344.79 2043\n+00028cb0: 2e39 312c 2d32 3739 2e39 3220 3230 3433  .91,-279.92 2043\n+00028cc0: 2e39 312c 2d31 3935 2e39 3820 3137 3438  .91,-195.98 1748\n+00028cd0: 2e30 352c 2d31 3636 2e37 3520 3136 3337  .05,-166.75 1637\n+00028ce0: 2e31 392c 2d31 3538 2e37 3422 2f3e 0a3c  .19,-158.74\"/>.<\n+00028cf0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362  polygon fill=\"#b\n+00028d00: 6662 6662 6622 2073 7472 6f6b 653d 2223  fbfbf\" stroke=\"#\n+00028d10: 6266 6266 6266 2220 706f 696e 7473 3d22  bfbfbf\" points=\"\n+00028d20: 3136 3337 2e32 382c 2d31 3535 2e32 3420  1637.28,-155.24 \n+00028d30: 3136 3237 2e30 362c 2d31 3538 2e30 3320  1627.06,-158.03 \n+00028d40: 3136 3336 2e37 392c 2d31 3632 2e32 3220  1636.79,-162.22 \n+00028d50: 3136 3337 2e32 382c 2d31 3535 2e32 3422  1637.28,-155.24\"\n+00028d60: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00028d70: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00028d80: 6170 706c 6965 645f 666f 7263 6573 5f61  applied_forces_a\n+00028d90: 7768 2623 3435 3b26 6774 3b6d 6f64 756c  wh&#45;&gt;modul\n+00028da0: 655f 7372 635f 6772 6f6d 6163 735f 7261  e_src_gromacs_ra\n+00028db0: 6e64 6f6d 202d 2d3e 0a3c 6720 6964 3d22  ndom -->.<g id=\"\n+00028dc0: 6564 6765 3237 3122 2063 6c61 7373 3d22  edge271\" class=\"\n+00028dd0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00028de0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00028df0: 5f61 7070 6c69 6564 5f66 6f72 6365 735f  _applied_forces_\n+00028e00: 6177 6826 2334 353b 2667 743b 6d6f 6475  awh&#45;&gt;modu\n+00028e10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72  le_src_gromacs_r\n+00028e20: 616e 646f 6d3c 2f74 6974 6c65 3e0a 3c70  andom</title>.<p\n+00028e30: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220  ath fill=\"none\" \n+00028e40: 7374 726f 6b65 3d22 626c 6163 6b22 2073  stroke=\"black\" s\n+00028e50: 7472 6f6b 652d 6461 7368 6172 7261 793d  troke-dasharray=\n+00028e60: 2235 2c32 2220 643d 224d 3133 3633 2e31  \"5,2\" d=\"M1363.1\n+00028e70: 372c 2d38 3336 2e35 3843 3133 3831 2e32  7,-836.58C1381.2\n+00028e80: 352c 2d38 3237 2e33 2031 3430 392e 3534  5,-827.3 1409.54\n+00028e90: 2c2d 3831 322e 3233 2031 3433 322e 3931  ,-812.23 1432.91\n+00028ea0: 2c2d 3739 372e 3331 2031 3434 352e 3334  ,-797.31 1445.34\n+00028eb0: 2c2d 3738 392e 3337 2031 3835 342e 3235  ,-789.37 1854.25\n+00028ec0: 2c2d 3439 362e 3132 2031 3836 302e 3931  ,-496.12 1860.91\n+00028ed0: 2c2d 3438 322e 3936 2031 3836 362e 332c  ,-482.96 1866.3,\n+00028ee0: 2d34 3732 2e33 3120 3138 3638 2e35 362c  -472.31 1868.56,\n+00028ef0: 2d34 3635 2e32 3620 3138 3630 2e39 312c  -465.26 1860.91,\n+00028f00: 2d34 3536 2e30 3920 3138 3533 2e37 382c  -456.09 1853.78,\n+00028f10: 2d34 3437 2e35 3420 3137 3130 2e36 392c  -447.54 1710.69,\n+00028f20: 2d34 3234 2e39 3220 3136 3337 2e38 2c2d  -424.92 1637.8,-\n+00028f30: 3431 332e 3838 222f 3e0a 3c70 6f6c 7967  413.88\"/>.<polyg\n+00028f40: 6f6e 2066 696c 6c3d 2262 6c61 636b 2220  on fill=\"black\" \n+00028f50: 7374 726f 6b65 3d22 626c 6163 6b22 2070  stroke=\"black\" p\n+00028f60: 6f69 6e74 733d 2231 3633 382c 2d34 3130  oints=\"1638,-410\n+00028f70: 2e33 3720 3136 3237 2e35 392c 2d34 3132  .37 1627.59,-412\n+00028f80: 2e33 3420 3136 3336 2e39 352c 2d34 3137  .34 1636.95,-417\n+00028f90: 2e33 2031 3633 382c 2d34 3130 2e33 3722  .3 1638,-410.37\"\n+00028fa0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64  />.</g>.<!-- mod\n+00028fb0: 756c 655f 7372 635f 6772 6f6d 6163 735f  ule_src_gromacs_\n+00028fc0: 6170 706c 6965 645f 666f 7263 6573 5f61  applied_forces_a\n+00028fd0: 7768 2623 3435 3b26 6774 3b6d 6f64 756c  wh&#45;&gt;modul\n+00028fe0: 655f 7372 635f 6772 6f6d 6163 735f 6669  e_src_gromacs_fi\n+00028ff0: 6c65 696f 202d 2d3e 0a3c 6720 6964 3d22  leio -->.<g id=\"\n+00029000: 6564 6765 3237 3222 2063 6c61 7373 3d22  edge272\" class=\"\n+00029010: 6564 6765 223e 0a3c 7469 746c 653e 6d6f  edge\">.<title>mo\n+00029020: 6475 6c65 5f73 7263 5f67 726f 6d61 6373  dule_src_gromacs\n+00029030: 5f61 7070 6c69 6564 5f66 6f72 6365 735f  _applied_forces_\n+00029040: 6177 6826 2334 353b 2667 743b 6d6f 6475  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below shows the dependencies between the source code modules, computed from include statements in the code. 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  <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     <name>nnpotmodel.h</name>\n   </compound>\n   <compound refid=\"nnpotoptions_8h\" kind=\"file\">\n     <name>nnpotoptions.h</name>\n   </compound>\n+  <compound refid=\"nnpottopologypreprocessor_8cpp\" kind=\"file\">\n+    <name>nnpottopologypreprocessor.cpp</name>\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=\"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=\"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=\"nnpotoptions_8cpp\" kind=\"file\">\n     <name>nnpotoptions.cpp</name>\n   </compound>\n   <compound refid=\"tests_2nnpotoptions_8cpp\" kind=\"file\">\n     <name>nnpotoptions.cpp</name>\n   </compound>\n-  <compound refid=\"nnpottopologypreprocessor_8cpp\" kind=\"file\">\n-    <name>nnpottopologypreprocessor.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2nnpottopologypreprocessor_8cpp\" kind=\"file\">\n-    <name>nnpottopologypreprocessor.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@@ -76694,26 +76700,26 @@\n   </compound>\n   <compound refid=\"plumedMDModule_8h\" kind=\"file\">\n     <name>plumedMDModule.h</name>\n   </compound>\n   <compound refid=\"plumedMDModule__stub_8cpp\" kind=\"file\">\n     <name>plumedMDModule_stub.cpp</name>\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=\"plumedOptions_8h\" kind=\"file\">\n     <name>plumedOptions.h</name>\n   </compound>\n   <compound refid=\"plumed__md__test_8cpp\" kind=\"file\">\n     <name>plumed_md_test.cpp</name>\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=\"plumedTestUtils_8cpp\" kind=\"file\">\n     <name>plumedTestUtils.cpp</name>\n     <member refid=\"plumedTestUtils_8cpp_1aed344d97d0b1cde83205a0e2a05a1280\" kind=\"define\">\n       <name>__PLUMED_WRAPPER_FORTRAN</name>\n     </member>\n     <member refid=\"plumedTestUtils_8cpp_1a5d2f0b61e39b494ce2a169c47f7076e7\" kind=\"define\">\n       <name>__PLUMED_WRAPPER_LINK_RUNTIME</name>\n@@ -76751,14 +76757,20 @@\n   </compound>\n   <compound refid=\"qmmminputgenerator_8h\" kind=\"file\">\n     <name>qmmminputgenerator.h</name>\n   </compound>\n   <compound refid=\"qmmmoptions_8h\" kind=\"file\">\n     <name>qmmmoptions.h</name>\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=\"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@@ -76781,35 +76793,29 @@\n   </compound>\n   <compound refid=\"qmmmoptions_8cpp\" kind=\"file\">\n     <name>qmmmoptions.cpp</name>\n   </compound>\n   <compound refid=\"tests_2qmmmoptions_8cpp\" kind=\"file\">\n     <name>qmmmoptions.cpp</name>\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_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@@ -76823,26 +76829,38 @@\n   </compound>\n   <compound refid=\"cmdlinemodule_8cpp\" kind=\"file\">\n     <name>cmdlinemodule.cpp</name>\n   </compound>\n   <compound refid=\"cmdlinemodule_8h\" kind=\"file\">\n     <name>cmdlinemodule.h</name>\n   </compound>\n+  <compound refid=\"cmdlinemodulemanager_8cpp\" kind=\"file\">\n+    <name>cmdlinemodulemanager.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2cmdlinemodulemanager_8cpp\" kind=\"file\">\n+    <name>cmdlinemodulemanager.cpp</name>\n+  </compound>\n   <compound refid=\"cmdlinemodulemanager_8h\" kind=\"file\">\n     <name>cmdlinemodulemanager.h</name>\n   </compound>\n   <compound refid=\"cmdlinemodulemanager__impl_8h\" kind=\"file\">\n     <name>cmdlinemodulemanager_impl.h</name>\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@@ -76853,77 +76871,14 @@\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_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-    </member>\n-    <member refid=\"filenm_8cpp_1a955fd44e0c07f5067aec48eeb0772786\" kind=\"function\">\n-      <name>getFileOption</name>\n-    </member>\n-    <member refid=\"group__module__commandline_1ga990ead6deedaf9a5b815fd80a9d19ba5\" kind=\"function\">\n-      <name>opt2fn</name>\n-    </member>\n-    <member refid=\"group__module__commandline_1ga5a3c05d87b57e0f284a7ff2862b0066e\" kind=\"function\">\n-      <name>opt2fns</name>\n-    </member>\n-    <member refid=\"group__module__commandline_1ga17f3100eae46eee11b31ce769b2dda21\" kind=\"function\">\n-      <name>opt2fnsIfOptionSet</name>\n-    </member>\n-    <member refid=\"group__module__commandline_1gac6dd2ff1df2cd6a3d017e5c6307c9317\" kind=\"function\">\n-      <name>ftp2fn</name>\n-    </member>\n-    <member refid=\"group__module__commandline_1ga59579cb605335276a9822c2c0b920749\" kind=\"function\">\n-      <name>ftp2fns</name>\n-    </member>\n-    <member refid=\"group__module__commandline_1ga5565e3a4b910cf54ee4312511235a5dd\" kind=\"function\">\n-      <name>ftp2bSet</name>\n-    </member>\n-    <member refid=\"group__module__commandline_1gaeeff60cfe846f34b5f2c29d786bf125c\" kind=\"function\">\n-      <name>opt2bSet</name>\n-    </member>\n-    <member refid=\"group__module__commandline_1ga47f278a4dee5951644434ceab8ef7092\" kind=\"function\">\n-      <name>opt2path_optional</name>\n-    </member>\n-    <member refid=\"group__module__commandline_1ga56c49da2be2ec43896f0ecb08fab62e2\" kind=\"function\">\n-      <name>opt2fn_null</name>\n-    </member>\n-    <member refid=\"group__module__commandline_1ga0618d9d43df93348aa3e4f9abb91f193\" kind=\"function\">\n-      <name>ftp2path_optional</name>\n-    </member>\n-    <member refid=\"group__module__commandline_1ga9b252e48aa2b9ffbe1dc40901b74617e\" kind=\"function\">\n-      <name>ftp2fn_null</name>\n-    </member>\n-    <member refid=\"group__module__commandline_1gabc17ec2d0b4109f2d29e4a2520d0282e\" kind=\"function\">\n-      <name>is_optional</name>\n-    </member>\n-    <member refid=\"group__module__commandline_1gae2216bbb9df4242659e874a92aeb7761\" kind=\"function\">\n-      <name>is_output</name>\n-    </member>\n-    <member refid=\"group__module__commandline_1gab1e903a76beecd97e435a9873a9271f6\" kind=\"function\">\n-      <name>is_set</name>\n-    </member>\n-    <member refid=\"group__module__commandline_1ga571a096cfabe485318d242a08e35c746\" kind=\"function\">\n-      <name>hasSuffixFromNoAppend</name>\n-    </member>\n-    <member refid=\"group__module__commandline_1gaf48efa6fc3e0ba73fcca2634b991d481\" kind=\"function\">\n-      <name>add_suffix_to_output_names</name>\n-    </member>\n-  </compound>\n-  <compound refid=\"tests_2filenm_8cpp\" kind=\"file\">\n-    <name>filenm.cpp</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     </member>\n     <member refid=\"group__module__commandline_1ga329a4f1bb6cd80a0630547b0d027e24f\" kind=\"define\">\n       <name>ffREAD</name>\n@@ -77123,37 +77078,82 @@\n   </compound>\n   <compound refid=\"cmdlinehelpmodule_8cpp\" kind=\"file\">\n     <name>cmdlinehelpmodule.cpp</name>\n   </compound>\n   <compound refid=\"tests_2cmdlinehelpmodule_8cpp\" kind=\"file\">\n     <name>cmdlinehelpmodule.cpp</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=\"cmdlinemodulemanager_8cpp\" kind=\"file\">\n-    <name>cmdlinemodulemanager.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2cmdlinemodulemanager_8cpp\" kind=\"file\">\n-    <name>cmdlinemodulemanager.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 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+    </member>\n+    <member refid=\"filenm_8cpp_1a955fd44e0c07f5067aec48eeb0772786\" kind=\"function\">\n+      <name>getFileOption</name>\n+    </member>\n+    <member refid=\"group__module__commandline_1ga990ead6deedaf9a5b815fd80a9d19ba5\" kind=\"function\">\n+      <name>opt2fn</name>\n+    </member>\n+    <member refid=\"group__module__commandline_1ga5a3c05d87b57e0f284a7ff2862b0066e\" kind=\"function\">\n+      <name>opt2fns</name>\n+    </member>\n+    <member refid=\"group__module__commandline_1ga17f3100eae46eee11b31ce769b2dda21\" kind=\"function\">\n+      <name>opt2fnsIfOptionSet</name>\n+    </member>\n+    <member refid=\"group__module__commandline_1gac6dd2ff1df2cd6a3d017e5c6307c9317\" kind=\"function\">\n+      <name>ftp2fn</name>\n+    </member>\n+    <member refid=\"group__module__commandline_1ga59579cb605335276a9822c2c0b920749\" kind=\"function\">\n+      <name>ftp2fns</name>\n+    </member>\n+    <member refid=\"group__module__commandline_1ga5565e3a4b910cf54ee4312511235a5dd\" kind=\"function\">\n+      <name>ftp2bSet</name>\n+    </member>\n+    <member refid=\"group__module__commandline_1gaeeff60cfe846f34b5f2c29d786bf125c\" kind=\"function\">\n+      <name>opt2bSet</name>\n+    </member>\n+    <member refid=\"group__module__commandline_1ga47f278a4dee5951644434ceab8ef7092\" kind=\"function\">\n+      <name>opt2path_optional</name>\n+    </member>\n+    <member refid=\"group__module__commandline_1ga56c49da2be2ec43896f0ecb08fab62e2\" kind=\"function\">\n+      <name>opt2fn_null</name>\n+    </member>\n+    <member refid=\"group__module__commandline_1ga0618d9d43df93348aa3e4f9abb91f193\" kind=\"function\">\n+      <name>ftp2path_optional</name>\n+    </member>\n+    <member refid=\"group__module__commandline_1ga9b252e48aa2b9ffbe1dc40901b74617e\" kind=\"function\">\n+      <name>ftp2fn_null</name>\n+    </member>\n+    <member refid=\"group__module__commandline_1gabc17ec2d0b4109f2d29e4a2520d0282e\" kind=\"function\">\n+      <name>is_optional</name>\n+    </member>\n+    <member refid=\"group__module__commandline_1gae2216bbb9df4242659e874a92aeb7761\" kind=\"function\">\n+      <name>is_output</name>\n+    </member>\n+    <member refid=\"group__module__commandline_1gab1e903a76beecd97e435a9873a9271f6\" kind=\"function\">\n+      <name>is_set</name>\n+    </member>\n+    <member refid=\"group__module__commandline_1ga571a096cfabe485318d242a08e35c746\" kind=\"function\">\n+      <name>hasSuffixFromNoAppend</name>\n+    </member>\n+    <member refid=\"group__module__commandline_1gaf48efa6fc3e0ba73fcca2634b991d481\" kind=\"function\">\n+      <name>add_suffix_to_output_names</name>\n+    </member>\n   </compound>\n-  <compound refid=\"tests_2cmdlineparser_8cpp\" kind=\"file\">\n-    <name>cmdlineparser.cpp</name>\n+  <compound refid=\"tests_2filenm_8cpp\" kind=\"file\">\n+    <name>filenm.cpp</name>\n   </compound>\n   <compound refid=\"viewit_8cpp\" kind=\"file\">\n     <name>viewit.cpp</name>\n     <member refid=\"viewit_8cpp_1a35dcced3082f4267c59916e2ca17eb9e\" kind=\"variable\">\n       <name>canViewFileType</name>\n     </member>\n     <member refid=\"viewit_8cpp_1a82e08ef780c3b24b30693b5285f3a0b5\" kind=\"variable\">\n@@ -78659,41 +78659,14 @@\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@@ -79169,26 +79142,26 @@\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 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<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_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=\"mrcserializer_8h\" kind=\"file\">\n     <name>mrcserializer.h</name>\n   </compound>\n   <compound refid=\"mtxio_8cpp\" kind=\"file\">\n     <name>mtxio.cpp</name>\n     <member refid=\"mtxio_8cpp_1a18f0084becc1437a3c8cc0d011b7fd43\" kind=\"define\">\n       <name>GMX_MTXIO_MAGIC_NUMBER</name>\n@@ -83291,14 +83168,89 @@\n     <member refid=\"pdbio_8cpp_1a6eae00e2ee38e67cb17d79c0061f469a\" kind=\"function\">\n       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</member>\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__nmeig_8cpp\" kind=\"file\">\n     <name>gmx_nmeig.cpp</name>\n     <member refid=\"gmx__nmeig_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n       <name>NFILE</name>\n     </member>\n     <member refid=\"gmx__nmeig_8cpp_1a584ce3a456b9ac1a026a60b611d410ec\" kind=\"function\">\n       <name>cv_corr</name>\n@@ -88148,14 +88088,62 @@\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\" 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<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@@ -89105,94 +89093,79 @@\n     <member refid=\"sfactor_8h_1a0ad710f8cbbce0f21987cb3a76fbb92c\" kind=\"function\">\n       <name>compute_scattering_factor_table</name>\n     </member>\n   </compound>\n   <compound refid=\"entropy_8cpp\" kind=\"file\">\n     <name>entropy.cpp</name>\n   </compound>\n-  <compound refid=\"gmx__mindist_8cpp\" kind=\"file\">\n-    <name>gmx_mindist.cpp</name>\n-    <member refid=\"gmx__mindist_8cpp_1a5b67f7ed161ffa5ebb100aab07a34f38\" 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</compound>\n-  <compound refid=\"tests_2gmx__traj_8cpp\" kind=\"file\">\n-    <name>gmx_traj.cpp</name>\n+  <compound refid=\"tests_2gmx__chi_8cpp\" kind=\"file\">\n+    <name>gmx_chi.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@@ -90227,14 +90200,32 @@\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 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<name>maxwell_speed</name>\n     </member>\n     <member refid=\"gen__maxwell__velocities_8h_1afae4ed9c089423241f3c87c7ac5cc89b\" kind=\"function\">\n       <name>stop_cm</name>\n@@ -90431,20 +90422,68 @@\n   </compound>\n   <compound refid=\"genhydro_8h\" kind=\"file\">\n     <name>genhydro.h</name>\n     <member refid=\"genhydro_8h_1a7cdba946c8b2e43fff174dfc3756f479\" kind=\"function\">\n       <name>add_h</name>\n     </member>\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+    </member>\n+    <member refid=\"genion_8cpp_1a9620908c96f01a54de6801be59e81960\" kind=\"function\">\n+      <name>solventMoleculeIndices</name>\n+    </member>\n+    <member 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<name>genion.h</name>\n     <member refid=\"genion_8h_1a0029a4995091766f1b6f8bc43a9545ae\" kind=\"function\">\n       <name>gmx_genion</name>\n     </member>\n   </compound>\n+  <compound refid=\"genrestr_8cpp\" kind=\"file\">\n+    <name>genrestr.cpp</name>\n+    <member refid=\"genrestr_8cpp_1a991ca54733f8b2ab497f259dece78179\" kind=\"define\">\n+      <name>npargs</name>\n+    </member>\n+    <member refid=\"genrestr_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n+      <name>NFILE</name>\n+    </member>\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=\"genrestr_8h\" kind=\"file\">\n     <name>genrestr.h</name>\n     <member refid=\"genrestr_8h_1a7dd6a5abe3df85f079b33ae2f2fc0511\" kind=\"function\">\n       <name>gmx_genrestr</name>\n   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kind=\"file\">\n-    <name>readir.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@@ -93446,20 +93419,14 @@\n     <member refid=\"architecture_8h_1a965bb789642e63d96bbba0c303109a68\" kind=\"define\">\n       <name>GMX_IS_X86_32</name>\n     </member>\n     <member refid=\"architecture_8h_1a5049871d3b2298b99b58e3663ee8cd49\" kind=\"define\">\n       <name>GMX_IS_X86_64</name>\n     </member>\n   </compound>\n-  <compound refid=\"cpuinfo_8cpp\" kind=\"file\">\n-    <name>cpuinfo.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2cpuinfo_8cpp\" kind=\"file\">\n-    <name>cpuinfo.cpp</name>\n-  </compound>\n   <compound refid=\"cpuinfo_8h\" kind=\"file\">\n     <name>cpuinfo.h</name>\n   </compound>\n   <compound refid=\"detecthardware_8cpp\" kind=\"file\">\n     <name>detecthardware.cpp</name>\n   </compound>\n   <compound refid=\"detecthardware_8h\" kind=\"file\">\n@@ -93932,14 +93899,20 @@\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 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refid=\"position__restraints_8h_1a4e01c646def2d038cc374a83bf721751\" kind=\"function\">\n@@ -94520,85 +94454,28 @@\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=\"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-      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<compound refid=\"tests_2calc__verletbuf_8cpp\" kind=\"file\">\n-    <name>calc_verletbuf.cpp</name>\n-  </compound>\n   <compound refid=\"calc__verletbuf_8h\" kind=\"file\">\n     <name>calc_verletbuf.h</name>\n     <member refid=\"calc__verletbuf_8h_1a9c18a7e4ee3a4b8abe9cbc1c7f07e482\" kind=\"enum\">\n       <name>ChanceTarget</name>\n     </member>\n     <member refid=\"calc__verletbuf_8h_1a9c18a7e4ee3a4b8abe9cbc1c7f07e482a0d218a68afe0e679a14afc704d6e0fba\" kind=\"enumvalue\">\n       <name>Atom</name>\n@@ -95228,14 +95036,23 @@\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@@ -95522,14 +95339,44 @@\n     <member refid=\"dispersioncorrection_8cpp_1ad9d13cef20a7aff241e7f2bbd788b651\" kind=\"function\">\n       <name>addCorrectionBeyondCutoff</name>\n     </member>\n   </compound>\n   <compound refid=\"dispersioncorrection_8h\" kind=\"file\">\n     <name>dispersioncorrection.h</name>\n   </compound>\n+  <compound refid=\"ebin_8cpp\" kind=\"file\">\n+    <name>ebin.cpp</name>\n+    <member refid=\"ebin_8cpp_1ac12bac52fd1d34d837270bb685da4362\" kind=\"function\">\n+      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</member>\n+  </compound>\n+  <compound refid=\"tests_2ebin_8cpp\" kind=\"file\">\n+    <name>ebin.cpp</name>\n+  </compound>\n   <compound refid=\"ebin_8h\" kind=\"file\">\n     <name>ebin.h</name>\n     <member refid=\"ebin_8h_1afa231099d07583c3ed0981e0bb665f55\" kind=\"enum\">\n       <name/>\n     </member>\n     <member refid=\"ebin_8h_1afa231099d07583c3ed0981e0bb665f55a8da1c819aa64a4dbd298ee88c4d1a013\" kind=\"enumvalue\">\n       <name>eprNORMAL</name>\n@@ -95606,20 +95453,14 @@\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@@ -96536,14 +96377,20 @@\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@@ -96728,14 +96575,107 @@\n   </compound>\n   <compound refid=\"stophandler_8cpp\" kind=\"file\">\n     <name>stophandler.cpp</name>\n   </compound>\n   <compound refid=\"stophandler_8h\" kind=\"file\">\n     <name>stophandler.h</name>\n   </compound>\n+  <compound refid=\"calc__verletbuf_8cpp\" kind=\"file\">\n+    <name>calc_verletbuf.cpp</name>\n+    <member refid=\"calc__verletbuf_8cpp_1ae37bfc87c8b62281650196096938c1c1\" kind=\"function\">\n+      <name>verletbufGetListSetup</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1aaced48d57de6edd8279b2365fea049b9\" kind=\"function\">\n+      <name>verletbufGetSafeListSetup</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a6bcdbe0120e201805439088057ea282e\" kind=\"function\">\n+      <name>getMass</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a7562074483c004febb4e0f519144f148\" kind=\"function\">\n+      <name>get_vsite_masses</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a8ac98babc116242be4f1ca2773f07da2\" kind=\"function\">\n+      <name>getResolutions</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a80fa8c036972a430e0d1c4a94f241c4f\" kind=\"function\">\n+      <name>getVerletBufferAtomtypes</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a61b371314f4c2d1e944c3b7ed70a4e93\" kind=\"function\">\n+      <name>constrained_atom_sigma2</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a8daf94767412f5525109e64aa6211743\" kind=\"function\">\n+      <name>get_atom_sigma2</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a82dd40cdde1d2abdefa7b3eed5927659\" kind=\"function\">\n+      <name>approx_2dof</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a49078497ab9aebe4da39991d85bedf4f\" kind=\"function\">\n+      <name>energyDriftAtomPair</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a4d60188eae5bdb1ccde380f93e532066\" kind=\"function\">\n+      <name>energyDrift</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a9ac48fa8c251b73fc69bde82d0d9a81f\" kind=\"function\">\n+      <name>surface_frac</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1ab0ecf002e55ccbe0049c0602ca230d0c\" kind=\"function\">\n+      <name>md3_force_switch</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a17ea0a4be1d43f8c61728b3ef6296cd8\" kind=\"function\">\n+      <name>getVdwDerivatives</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1ac88ec41d3ad19a8e1866d8da4279461e\" kind=\"function\">\n+      <name>getElecDerivatives</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a4a6f30aeac8df69a9e440e0ccb946204\" kind=\"function\">\n+      <name>displacementVariance</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a5039284f0b4844347d91e703dd2cba7e\" kind=\"function\">\n+      <name>maxSigma</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a7115995a0a681c6b01af57e4439c6a7d\" kind=\"function\">\n+      <name>computeEffectiveAtomDensity</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a1217d3ce71cde843e4faef51d0d08700\" kind=\"function\">\n+      <name>computeEffectiveAtomDensity</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a4624143f4e06669a7a956eeb38f8094f\" kind=\"function\">\n+      <name>getForceDerivatives</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1ac6d056596f1f05ec04e1a674afece80b\" kind=\"function\">\n+      <name>pressureError</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a2e110e015eba3d6d4e9ce3c53d67fe2c\" kind=\"function\">\n+      <name>calcVerletBufferSize</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a1a97c568437252f618967eaf4e12b4f7\" kind=\"function\">\n+      <name>verletBufferPressureError</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a19fb25325e02e2ca7fe68def3ff3d0b7\" kind=\"function\">\n+      <name>minCellSizeFromPairlistBuffer</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a914ae8d39693851dbe4fc01f592ff025\" kind=\"function\">\n+      <name>chanceOfAtomCrossingCell</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1afb5a347eacec4f2b978780acc5f1c4fb\" kind=\"function\">\n+      <name>getAtomConstraintProps</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a3653f50ffb4edc580a729786625c04d1\" kind=\"function\">\n+      <name>chanceOfUpdateGroupCrossingCell</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a3e75a3574322fe4016e9ba9a43baf3d4\" kind=\"function\">\n+      <name>chanceOfUpdateGroupCrossingCell</name>\n+    </member>\n+    <member refid=\"calc__verletbuf_8cpp_1a9a05b6ec12bf1576a3d79072c3c06e0a\" kind=\"function\">\n+      <name>minCellSizeForAtomDisplacement</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2calc__verletbuf_8cpp\" kind=\"file\">\n+    <name>calc_verletbuf.cpp</name>\n+  </compound>\n   <compound refid=\"calcvir_8cpp\" kind=\"file\">\n     <name>calcvir.cpp</name>\n     <member refid=\"calcvir_8cpp_1a7fbc6150a900516fe08f3d1d78d10a3a\" kind=\"function\">\n       <name>upd_vir</name>\n     </member>\n     <member refid=\"calcvir_8cpp_1ab782b5c8d1d54de0f2dc73816c34e69e\" kind=\"function\">\n       <name>calc_x_times_f</name>\n@@ -96746,23 +96686,14 @@\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@@ -96773,43 +96704,19 @@\n     <member refid=\"constrtestrunners_8h_1ae18dc737d962baeb9ec208574ff725a9\" kind=\"define\">\n       <name>GPU_CONSTRAINTS_SUPPORTED</name>\n     </member>\n   </compound>\n   <compound refid=\"constrtestrunners__gpu_8cpp\" kind=\"file\">\n     <name>constrtestrunners_gpu.cpp</name>\n   </compound>\n-  <compound refid=\"ebin_8cpp\" kind=\"file\">\n-    <name>ebin.cpp</name>\n-    <member refid=\"ebin_8cpp_1ac12bac52fd1d34d837270bb685da4362\" kind=\"function\">\n-      <name>mk_ebin</name>\n-    </member>\n-    <member refid=\"ebin_8cpp_1a34e4fcb6892846757e2d0696150b9868\" kind=\"function\">\n-      <name>done_ebin</name>\n-    </member>\n-    <member refid=\"ebin_8cpp_1a8ce9fb2bc0ff647e46e27004f15d37d8\" kind=\"function\">\n-      <name>get_ebin_space</name>\n-    </member>\n-    <member refid=\"ebin_8cpp_1a0d2f222119cf01dde362e73e8cab24cc\" kind=\"function\">\n-      <name>add_ebin</name>\n-    </member>\n-    <member refid=\"ebin_8cpp_1aabfff7a7974e7cd2510d218026ad7763\" kind=\"function\">\n-      <name>add_ebin_indexed</name>\n-    </member>\n-    <member refid=\"ebin_8cpp_1a5a9a1c3a2803bfb618c59ba80a483eb8\" kind=\"function\">\n-      <name>ebin_increase_count</name>\n-    </member>\n-    <member refid=\"ebin_8cpp_1a9dccf9e8847ae2b7c90f1757f181edd3\" kind=\"function\">\n-      <name>reset_ebin_sums</name>\n-    </member>\n-    <member refid=\"ebin_8cpp_1a0e53b24a8f43d4ca9afcee637a2bf66a\" kind=\"function\">\n-      <name>pr_ebin</name>\n-    </member>\n+  <compound refid=\"energydrifttracker_8cpp\" kind=\"file\">\n+    <name>energydrifttracker.cpp</name>\n   </compound>\n-  <compound refid=\"tests_2ebin_8cpp\" kind=\"file\">\n-    <name>ebin.cpp</name>\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@@ -96941,20 +96848,14 @@\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@@ -96977,20 +96878,14 @@\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@@ -97223,14 +97118,20 @@\n     <member refid=\"update__vv_8h_1a0651e9a62ab3f26c47a449c665ebe23a\" kind=\"function\">\n       <name>integrateVVFirstStep</name>\n     </member>\n     <member refid=\"update__vv_8h_1a73535f458b491a6e94ea3e7fec5146ff\" kind=\"function\">\n       <name>integrateVVSecondStep</name>\n     </member>\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=\"updategroups_8h\" kind=\"file\">\n     <name>updategroups.h</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@@ -97934,14 +97835,20 @@\n     <member refid=\"fcdata_8h_1ad173eebb54c6ffcba49ac271aa328702\" kind=\"typedef\">\n       <name>rvec5</name>\n     </member>\n     <member refid=\"fcdata_8h_1aa2e4c34fa2d016a33606dd6984d243a8\" kind=\"typedef\">\n       <name>t_disresdata</name>\n     </member>\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+    <name>forcebuffers.cpp</name>\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=\"group_8cpp\" kind=\"file\">\n@@ -98369,14 +98276,20 @@\n     <member refid=\"mdatom_8h_1a501fde7d06a42c4b57d475b1afc41816\" kind=\"typedef\">\n       <name>t_mdatoms</name>\n     </member>\n   </compound>\n   <compound refid=\"mdrunoptions_8h\" kind=\"file\">\n     <name>mdrunoptions.h</name>\n   </compound>\n+  <compound refid=\"multipletimestepping_8cpp\" kind=\"file\">\n+    <name>multipletimestepping.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2multipletimestepping_8cpp\" kind=\"file\">\n+    <name>multipletimestepping.cpp</name>\n+  </compound>\n   <compound refid=\"multipletimestepping_8h\" kind=\"file\">\n     <name>multipletimestepping.h</name>\n   </compound>\n   <compound refid=\"nblist_8h\" kind=\"file\">\n     <name>nblist.h</name>\n   </compound>\n   <compound refid=\"observableshistory_8cpp\" kind=\"file\">\n@@ -98579,26 +98492,14 @@\n     <member refid=\"swaphistory_8h_1a9a3872a2803189eaef2cd341e21d7b49\" kind=\"typedef\">\n       <name>swaphistory_t</name>\n     </member>\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-    <name>forcebuffers.cpp</name>\n-  </compound>\n-  <compound refid=\"multipletimestepping_8cpp\" kind=\"file\">\n-    <name>multipletimestepping.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2multipletimestepping_8cpp\" kind=\"file\">\n-    <name>multipletimestepping.cpp</name>\n-  </compound>\n   <compound refid=\"threaded__force__buffer_8cpp\" kind=\"file\">\n     <name>threaded_force_buffer.cpp</name>\n   </compound>\n   <compound refid=\"threaded__force__buffer_8h\" kind=\"file\">\n     <name>threaded_force_buffer.h</name>\n   </compound>\n   <compound refid=\"communicator_8cpp\" kind=\"file\">\n@@ -98606,14 +98507,86 @@\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@@ -100049,55 +100022,55 @@\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_8h\" kind=\"file\">\n-    <name>helpformat.h</name>\n+  <compound refid=\"helpformat_8cpp\" kind=\"file\">\n+    <name>helpformat.cpp</name>\n   </compound>\n-  <compound refid=\"helpmanager_8cpp\" kind=\"file\">\n-    <name>helpmanager.cpp</name>\n+  <compound refid=\"tests_2helpformat_8cpp\" kind=\"file\">\n+    <name>helpformat.cpp</name>\n   </compound>\n-  <compound refid=\"tests_2helpmanager_8cpp\" kind=\"file\">\n-    <name>helpmanager.cpp</name>\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=\"helpwritercontext_8cpp\" kind=\"file\">\n-    <name>helpwritercontext.cpp</name>\n+  <compound refid=\"helpmanager_8cpp\" kind=\"file\">\n+    <name>helpmanager.cpp</name>\n   </compound>\n-  <compound refid=\"tests_2helpwritercontext_8cpp\" kind=\"file\">\n-    <name>helpwritercontext.cpp</name>\n+  <compound refid=\"tests_2helpmanager_8cpp\" kind=\"file\">\n+    <name>helpmanager.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@@ -100124,19 +100097,19 @@\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 refid=\"filenameoption_8cpp\" kind=\"file\">\n+    <name>filenameoption.cpp</name>\n   </compound>\n-  <compound refid=\"tests_2filenameoptionmanager_8cpp\" kind=\"file\">\n-    <name>filenameoptionmanager.cpp</name>\n+  <compound refid=\"tests_2filenameoption_8cpp\" kind=\"file\">\n+    <name>filenameoption.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@@ -100175,19 +100148,19 @@\n   </compound>\n   <compound refid=\"repeatingsection_8h\" kind=\"file\">\n     <name>repeatingsection.h</name>\n   </compound>\n   <compound refid=\"abstractoptionstorage_8cpp\" kind=\"file\">\n     <name>abstractoptionstorage.cpp</name>\n   </compound>\n-  <compound refid=\"filenameoption_8cpp\" kind=\"file\">\n-    <name>filenameoption.cpp</name>\n+  <compound refid=\"filenameoptionmanager_8cpp\" kind=\"file\">\n+    <name>filenameoptionmanager.cpp</name>\n   </compound>\n-  <compound refid=\"tests_2filenameoption_8cpp\" kind=\"file\">\n-    <name>filenameoption.cpp</name>\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=\"repeatingsection_8cpp\" kind=\"file\">\n     <name>repeatingsection.cpp</name>\n   </compound>\n@@ -100514,14 +100487,20 @@\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=\"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=\"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@@ -100643,20 +100622,14 @@\n     <member refid=\"mshift_8cpp_1a90e20cd98356ad19d61bdd21eae2e53b\" kind=\"function\">\n       <name>unshift_self</name>\n     </member>\n   </compound>\n   <compound refid=\"tests_2mshift_8cpp\" kind=\"file\">\n     <name>mshift.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     <name>pull.h</name>\n     <member refid=\"pull_8h_1a98f772136c45528b8d405dd8e13d00b0\" kind=\"variable\">\n       <name>c_pullGroupPbcMargin</name>\n     </member>\n     <member refid=\"pull_8h_1ae5981861a54303677a7841cb8146ad1b\" kind=\"variable\">\n       <name>c_pullGroupSmallGroupThreshold</name>\n@@ -100805,164 +100778,14 @@\n     <member refid=\"output_8h_1a03a31b1f513efb311037d8520ddb62d5\" kind=\"function\">\n       <name>pull_print_output</name>\n     </member>\n     <member refid=\"output_8h_1a693166a29d07aa8974ebaef30bd38da3\" kind=\"function\">\n       <name>initPullHistory</name>\n     </member>\n   </compound>\n-  <compound refid=\"gromacs_2pulling_2pull_8cpp\" kind=\"file\">\n-    <name>pull.cpp</name>\n-    <member refid=\"gromacs_2pulling_2pull_8cpp_1a8cab498105adcce8fd4fc8bf4984a127\" kind=\"typedef\">\n-      <name>Lock</name>\n-    </member>\n-    <member refid=\"gromacs_2pulling_2pull_8cpp_1ae4ab4ba8445beba00b73130dea124045\" kind=\"variable\">\n-      <name>sc_isAngleType</name>\n-    </member>\n-    <member refid=\"gromacs_2pulling_2pull_8cpp_1ab765bf61d1e35f8f7f91943ff7ec3998\" kind=\"variable\">\n-      <name>registrationMutex</name>\n-    </member>\n-    <member refid=\"gromacs_2pulling_2pull_8cpp_1a3cd1aea71698c3700865361fcb3a45ce\" kind=\"function\">\n-      <name>groupPbcFromParams</name>\n-    </member>\n-    <member refid=\"gromacs_2pulling_2pull_8cpp_1a81bde889eea285eeb2119ca9a2f90815\" kind=\"function\">\n-      <name>pull_coordinate_is_directional</name>\n-    </member>\n-    <member refid=\"gromacs_2pulling_2pull_8cpp_1a07b69ebef9690b06dd028041c31cf533\" kind=\"function\">\n-      <name>pull_coordinate_units</name>\n-    </member>\n-    <member refid=\"gromacs_2pulling_2pull_8cpp_1abbcce19ba40736561060cfe98198e6ab\" kind=\"function\">\n-      <name>pull_conversion_factor_userinput2internal</name>\n-    </member>\n-    <member refid=\"gromacs_2pulling_2pull_8cpp_1aee0faab178e24c4b71e7b90a6765cbdf\" kind=\"function\">\n-      <name>pull_conversion_factor_internal2userinput</name>\n-    </member>\n-    <member refid=\"gromacs_2pulling_2pull_8cpp_1aa12dce7db7b1b37348c5a1510453c7ad\" kind=\"function\">\n-      <name>apply_forces_grp_part</name>\n-    </member>\n-    <member refid=\"gromacs_2pulling_2pull_8cpp_1af5166691587829e237555b55191ce991\" kind=\"function\">\n-      <name>apply_forces_grp</name>\n-    </member>\n-    <member refid=\"gromacs_2pulling_2pull_8cpp_1ac1ee863f98044aaef082dde37ddadb7e\" kind=\"function\">\n-      <name>apply_forces_cyl_grp</name>\n-    </member>\n-    <member refid=\"gromacs_2pulling_2pull_8cpp_1a983c60df0de16ea81a68eb73fbe4f6ed\" kind=\"function\">\n-      <name>apply_forces_vec_torque</name>\n-    </member>\n-    <member refid=\"gromacs_2pulling_2pull_8cpp_1a9afc3ffe2f474220ec8d2b28123893e1\" kind=\"function\">\n-      <name>apply_forces_coord</name>\n-    </member>\n-    <member refid=\"gromacs_2pulling_2pull_8cpp_1a8cf15d6d89fb52bcf5c6a00f7705feb1\" kind=\"function\">\n-      <name>max_pull_distance2</name>\n-    </member>\n-    <member refid=\"gromacs_2pulling_2pull_8cpp_1abea558c0bae2ea40f2ec63eb6012c6f3\" kind=\"function\">\n-      <name>low_get_pull_coord_dr</name>\n-    </member>\n-    <member 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refid=\"gromacs_2pulling_2pull_8cpp_1a3cd1aea71698c3700865361fcb3a45ce\" kind=\"function\">\n+      <name>groupPbcFromParams</name>\n+    </member>\n+    <member refid=\"gromacs_2pulling_2pull_8cpp_1a81bde889eea285eeb2119ca9a2f90815\" kind=\"function\">\n+      <name>pull_coordinate_is_directional</name>\n+    </member>\n+    <member refid=\"gromacs_2pulling_2pull_8cpp_1a07b69ebef9690b06dd028041c31cf533\" kind=\"function\">\n+      <name>pull_coordinate_units</name>\n+    </member>\n+    <member refid=\"gromacs_2pulling_2pull_8cpp_1abbcce19ba40736561060cfe98198e6ab\" kind=\"function\">\n+      <name>pull_conversion_factor_userinput2internal</name>\n+    </member>\n+    <member refid=\"gromacs_2pulling_2pull_8cpp_1aee0faab178e24c4b71e7b90a6765cbdf\" kind=\"function\">\n+      <name>pull_conversion_factor_internal2userinput</name>\n+    </member>\n+    <member refid=\"gromacs_2pulling_2pull_8cpp_1aa12dce7db7b1b37348c5a1510453c7ad\" kind=\"function\">\n+      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refid=\"gromacs_2pulling_2pull_8cpp_1a1a873aa71d3117760e9cafb82c5c7b77\" kind=\"function\">\n+      <name>init_pull_group_index</name>\n+    </member>\n+    <member refid=\"gromacs_2pulling_2pull_8cpp_1a07758b3052de5faa719460ea88621f3b\" kind=\"function\">\n+      <name>init_pull</name>\n+    </member>\n+    <member refid=\"gromacs_2pulling_2pull_8cpp_1a6573fff44255508078bc55688b07d6ff\" kind=\"function\">\n+      <name>destroy_pull</name>\n+    </member>\n+    <member refid=\"gromacs_2pulling_2pull_8cpp_1a0799b226066787980d0c56b7ada28487\" kind=\"function\">\n+      <name>preparePrevStepPullComNewSimulation</name>\n+    </member>\n+    <member refid=\"gromacs_2pulling_2pull_8cpp_1a4d0f8b45f26baa5615589932d5114927\" kind=\"function\">\n+      <name>preparePrevStepPullCom</name>\n+    </member>\n+    <member refid=\"gromacs_2pulling_2pull_8cpp_1a13f47d536a7dbf42621f5b69e5ee603a\" kind=\"function\">\n+      <name>finish_pull</name>\n+    </member>\n+    <member refid=\"gromacs_2pulling_2pull_8cpp_1ae6af89f849fd30d51ca83d0a083f55c7\" kind=\"function\">\n+      <name>pull_have_potential</name>\n+    </member>\n+    <member refid=\"gromacs_2pulling_2pull_8cpp_1a566ce120c039a41fd0bb770a8c3c6724\" kind=\"function\">\n+      <name>pull_have_constraint</name>\n+    </member>\n+    <member refid=\"gromacs_2pulling_2pull_8cpp_1a6aa45e79faa7a773a9d33ec602edb4f6\" kind=\"function\">\n+      <name>pull_have_constraint</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"gromacs_2pulling_2tests_2pull_8cpp\" kind=\"file\">\n+    <name>pull.cpp</name>\n+  </compound>\n+  <compound refid=\"programs_2mdrun_2tests_2pull_8cpp\" kind=\"file\">\n+    <name>pull.cpp</name>\n+  </compound>\n   <compound refid=\"transformationcoordinate_8cpp\" kind=\"file\">\n     <name>transformationcoordinate.cpp</name>\n   </compound>\n   <compound refid=\"transformationcoordinate_8h\" kind=\"file\">\n     <name>transformationcoordinate.h</name>\n   </compound>\n   <compound refid=\"exponentialdistribution_8h\" kind=\"file\">\n@@ -101831,14 +101804,20 @@\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@@ -102365,20 +102344,14 @@\n   </compound>\n   <compound refid=\"selectionfileoption_8h\" kind=\"file\">\n     <name>selectionfileoption.h</name>\n   </compound>\n   <compound refid=\"selectionfileoptionstorage_8h\" kind=\"file\">\n     <name>selectionfileoptionstorage.h</name>\n   </compound>\n-  <compound refid=\"selectionoption_8cpp\" kind=\"file\">\n-    <name>selectionoption.cpp</name>\n-  </compound>\n-  <compound refid=\"tests_2selectionoption_8cpp\" kind=\"file\">\n-    <name>selectionoption.cpp</name>\n-  </compound>\n   <compound refid=\"selectionoptionbehavior_8cpp\" kind=\"file\">\n     <name>selectionoptionbehavior.cpp</name>\n   </compound>\n   <compound refid=\"selectionoptionmanager_8cpp\" kind=\"file\">\n     <name>selectionoptionmanager.cpp</name>\n   </compound>\n   <compound refid=\"selectionoptionstorage_8h\" kind=\"file\">\n@@ -103604,20 +103577,14 @@\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@@ -103664,14 +103631,20 @@\n   </compound>\n   <compound refid=\"selectioncollection_8cpp\" kind=\"file\">\n     <name>selectioncollection.cpp</name>\n   </compound>\n   <compound refid=\"tests_2selectioncollection_8cpp\" kind=\"file\">\n     <name>selectioncollection.cpp</name>\n   </compound>\n+  <compound refid=\"selectionoption_8cpp\" kind=\"file\">\n+    <name>selectionoption.cpp</name>\n+  </compound>\n+  <compound refid=\"tests_2selectionoption_8cpp\" kind=\"file\">\n+    <name>selectionoption.cpp</name>\n+  </compound>\n   <compound refid=\"toputils_8cpp\" kind=\"file\">\n     <name>toputils.cpp</name>\n   </compound>\n   <compound refid=\"toputils_8h\" kind=\"file\">\n     <name>toputils.h</name>\n   </compound>\n   <compound refid=\"hsimd__declarations_8h\" kind=\"file\">\n@@ -103832,14 +103805,50 @@\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@@ -103880,50 +103889,14 @@\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@@ -105269,14 +105242,26 @@\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_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@@ -105428,32 +105413,41 @@\n   </compound>\n   <compound refid=\"pme__error_8h\" kind=\"file\">\n     <name>pme_error.h</name>\n     <member refid=\"pme__error_8h_1a42920a62354c32b1fb15a43415ae13c1\" kind=\"function\">\n       <name>gmx_pme_error</name>\n     </member>\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=\"report__methods_8h\" kind=\"file\">\n     <name>report_methods.h</name>\n   </compound>\n   <compound refid=\"convert-tpr-fixture_8h\" kind=\"file\">\n     <name>convert-tpr-fixture.h</name>\n   </compound>\n   <compound refid=\"convert-tpr-with-leaks_8cpp\" kind=\"file\">\n     <name>convert-tpr-with-leaks.cpp</name>\n   </compound>\n   <compound refid=\"convert-tpr_8cpp\" kind=\"file\">\n     <name>convert-tpr.cpp</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=\"gromacs_2tools_2tests_2helpwriting_8cpp\" kind=\"file\">\n     <name>helpwriting.cpp</name>\n   </compound>\n   <compound refid=\"programs_2mdrun_2tests_2helpwriting_8cpp\" kind=\"file\">\n     <name>helpwriting.cpp</name>\n   </compound>\n   <compound refid=\"make__ndx_8cpp\" kind=\"file\">\n@@ -105557,14 +105551,20 @@\n     <member refid=\"make__ndx_8cpp_1ae152e83bae7af9b36641e457dfd6656e\" kind=\"function\">\n       <name>gmx_make_ndx</name>\n     </member>\n   </compound>\n   <compound refid=\"tests_2make__ndx_8cpp\" kind=\"file\">\n     <name>make_ndx.cpp</name>\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@@ -106124,14 +106124,95 @@\n     <member refid=\"topsort_8h_1a061625a49410931fb2cfce96d1624bfb\" kind=\"function\">\n       <name>gmx_mtop_bondeds_free_energy</name>\n     </member>\n     <member refid=\"topsort_8h_1ad0af318a722dc224c16f8ba0200915d0\" kind=\"function\">\n       <name>gmx_sort_ilist_fe</name>\n     </member>\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+      <name>gmx_ask_yesno</name>\n+    </member>\n+    <member refid=\"index_8cpp_1a8e772d96d0d1d46abf5144f48545c95b\" 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<member refid=\"index_8cpp_1adfcd255b01bdfe962224474b313f2408\" kind=\"function\">\n+      <name>cluster_index</name>\n+    </member>\n+  </compound>\n+  <compound refid=\"tests_2index_8cpp\" kind=\"file\">\n+    <name>index.cpp</name>\n+  </compound>\n   <compound refid=\"invblock_8cpp\" kind=\"file\">\n     <name>invblock.cpp</name>\n     <member refid=\"invblock_8cpp_1ad02cdde604b11c63ada9f9c4980a2bdf\" kind=\"function\">\n       <name>make_invblock</name>\n     </member>\n   </compound>\n   <compound refid=\"mtop__atomloops_8cpp\" kind=\"file\">\n@@ -106364,95 +106445,14 @@\n   </compound>\n   <compound refid=\"exclusionblocks_8cpp\" kind=\"file\">\n     <name>exclusionblocks.cpp</name>\n   </compound>\n   <compound refid=\"tests_2exclusionblocks_8cpp\" kind=\"file\">\n     <name>exclusionblocks.cpp</name>\n   </compound>\n-  <compound refid=\"index_8cpp\" kind=\"file\">\n-    <name>index.cpp</name>\n-    <member refid=\"index_8cpp_1a2e0f10ad5bc6f3fa6207822ba138aab2\" 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</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+    </member>\n+    <member refid=\"topsort_8cpp_1ac933a04078e4833e3bb7c2da644ea6a4\" kind=\"function\">\n+      <name>hasPerturbedCharge</name>\n+    </member>\n+    <member refid=\"topsort_8cpp_1ad591064a31a561507ca473b94858b513\" kind=\"function\">\n+      <name>gmx_mtop_bondeds_free_energy</name>\n+    </member>\n+    <member refid=\"topsort_8cpp_1ad0af318a722dc224c16f8ba0200915d0\" kind=\"function\">\n+      <name>gmx_sort_ilist_fe</name>\n+    </member>\n+  </compound>\n   <compound refid=\"topology_8cpp\" kind=\"file\">\n     <name>topology.cpp</name>\n     <member refid=\"topology_8cpp_1adbbbc6066966865e09b44a0a55027dc6\" kind=\"function\">\n       <name>shortName</name>\n     </member>\n     <member refid=\"topology_8cpp_1a607377e40e38c2265a65c02c34c38135\" kind=\"function\">\n       <name>gmx_mtop_maxresnr</name>\n@@ -106595,32 +106613,14 @@\n     <member refid=\"topology_8cpp_1a85d05becca5c0679d34818b34cac059f\" kind=\"function\">\n       <name>getGroupType</name>\n     </member>\n     <member refid=\"topology_8cpp_1a6175a7c5cb4ba4a3b8e141f38e7085d1\" kind=\"function\">\n       <name>copy_moltype</name>\n     </member>\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-    </member>\n-    <member refid=\"topsort_8cpp_1ac933a04078e4833e3bb7c2da644ea6a4\" kind=\"function\">\n-      <name>hasPerturbedCharge</name>\n-    </member>\n-    <member refid=\"topsort_8cpp_1ad591064a31a561507ca473b94858b513\" kind=\"function\">\n-      <name>gmx_mtop_bondeds_free_energy</name>\n-    </member>\n-    <member refid=\"topsort_8cpp_1ad0af318a722dc224c16f8ba0200915d0\" kind=\"function\">\n-      <name>gmx_sort_ilist_fe</name>\n-    </member>\n-  </compound>\n   <compound refid=\"energyframe_8cpp\" kind=\"file\">\n     <name>energyframe.cpp</name>\n   </compound>\n   <compound refid=\"energyframe_8h\" kind=\"file\">\n     <name>energyframe.h</name>\n   </compound>\n   <compound refid=\"trajectoryframe_8cpp\" kind=\"file\">\n@@ -106910,14 +106910,20 @@\n   </compound>\n   <compound refid=\"tests_2topologyinformation_8cpp\" kind=\"file\">\n     <name>topologyinformation.cpp</name>\n   </compound>\n   <compound refid=\"topologyinformation_8cpp\" kind=\"file\">\n     <name>topologyinformation.cpp</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@@ -107270,74 +107276,14 @@\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@@ -107774,14 +107720,20 @@\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@@ -107903,26 +107855,80 @@\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+      <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=\"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   </compound>\n   <compound refid=\"bitmask32_8cpp\" kind=\"file\">\n@@ -108011,20 +108017,14 @@\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"}]}]}, {"source1": "./usr/share/doc/gromacs/html/manual-2025.3-Debian_2025.3_1.pdf", "source2": "./usr/share/doc/gromacs/html/manual-2025.3-Debian_2025.3_1.pdf", "unified_diff": null, "details": [{"source1": "pdftotext {} -", "source2": "pdftotext {} -", "unified_diff": "@@ -17693,15 +17693,15 @@\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 2025:\n+\u00a9 2001 \u2013 2026:\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 596)), 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": "@@ -4439,15 +4439,15 @@\n 00011560: 556e 6976 6572 7369 7479 206f 6620 4772  University of Gr\n 00011570: 6f6e 696e 6765 6e2e 0a4e 696a 656e 626f  oningen..Nijenbo\n 00011580: 7267 6820 342c 2039 3734 3720 4147 2047  rgh 4, 9747 AG G\n 00011590: 726f 6e69 6e67 656e 2c20 5468 6520 4e65  roningen, The Ne\n 000115a0: 7468 6572 6c61 6e64 732e 3c2f 703e 0a3c  therlands.</p>.<\n 000115b0: 2f64 6976 3e3c 2f62 6c6f 636b 7175 6f74  /div></blockquot\n 000115c0: 653e 0a3c 703e c2a9 2032 3030 3120 e280  e>.<p>.. 2001 ..\n-000115d0: 9320 3230 3235 3a3c 2f70 3e0a 3c62 6c6f  . 2025:</p>.<blo\n+000115d0: 9320 3230 3236 3a3c 2f70 3e0a 3c62 6c6f  . 2026:</p>.<blo\n 000115e0: 636b 7175 6f74 653e 0a3c 6469 763e 3c70  ckquote>.<div><p\n 000115f0: 3e54 6865 2047 524f 4d41 4353 2064 6576  >The GROMACS dev\n 00011600: 656c 6f70 6d65 6e74 2074 6561 6d73 2061  elopment teams a\n 00011610: 7420 7468 6520 526f 7961 6c20 496e 7374  t the Royal Inst\n 00011620: 6974 7574 6520 6f66 2054 6563 686e 6f6c  itute of Technol\n 00011630: 6f67 7920 616e 640a 5570 7073 616c 6120  ogy and.Uppsala \n 00011640: 556e 6976 6572 7369 7479 2c20 5377 6564  University, Swed\n", "details": [{"source1": "html2text {}", "source2": "html2text {}", "unified_diff": "@@ -430,15 +430,15 @@\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 2025:\n+\u00a9 2001 \u2013 2026:\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 user\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": "@@ -11186,15 +11186,15 @@\n         \"2019\": [30, 38, 193, 204, 239, 240, 241, 242, 259, 265, 266, 267, 268, 269, 282, 294, 373],\n         \"2020\": [4, 11, 15, 17, 28, 38, 180, 193, 255, 275, 281, 282, 283, 284, 285, 286, 287, 311, 337, 350, 373],\n         \"2021\": [38, 193, 266, 269, 270, 291, 297, 298, 299, 300, 301, 302, 311, 325, 373],\n         \"2022\": [0, 17, 27, 28, 38, 271, 285, 286, 307, 313, 314, 315, 316, 317, 326, 373],\n         \"2023\": [38, 122, 193, 287, 301, 302, 322, 328, 329, 330, 331, 332, 333, 334, 373],\n         \"2024\": [37, 38, 80, 83, 122, 195, 242, 315, 316, 317, 339, 345, 346, 347, 354, 355, 368],\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, 348, 349, 351, 352, 353, 354, 355, 356, 357, 359, 360, 361, 362, 363, 364, 365, 366, 367, 368, 369, 370, 371, 372, 373, 374, 375, 376, 377],\n-        \"2026\": [249, 358],\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, 374, 375, 376, 377],\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"}]}]}]}]}]}