{"diffoscope-json-version": 1, "source1": "/srv/reproducible-results/rbuild-debian/r-b-build.74cO7jcb/b1/gromacs_2025.1-1_amd64.changes", "source2": "/srv/reproducible-results/rbuild-debian/r-b-build.74cO7jcb/b2/gromacs_2025.1-1_amd64.changes", "unified_diff": null, "details": [{"source1": "Files", "source2": "Files", "unified_diff": "@@ -1,9 +1,9 @@\n \n- 4ef60c121cd66ee98c1dd830af7cc064 46061052 science optional gromacs-data_2025.1-1_all.deb\n+ 308abb7fbc03ec935b48082b39879757 46061012 science optional gromacs-data_2025.1-1_all.deb\n 0555a3f3e03562af9582051c44b8b51a 1031428 debug optional gromacs-dbgsym_2025.1-1_amd64.deb\n eba2c22a5c8f21f66d7e50c4133432f6 60596 science optional gromacs_2025.1-1_amd64.deb\n 4253e20419f094714b48715d1f0d7f95 174892 libdevel optional libgromacs-dev_2025.1-1_amd64.deb\n 54eed8f56c2905e711ac5a241d45c10a 569939160 debug optional libgromacs10-dbgsym_2025.1-1_amd64.deb\n 87ef2c5971d76578de485224849a7920 33242648 libs optional 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"unified_diff": "@@ -1,13 +1,13 @@\n Package: gromacs-data\n Source: gromacs\n Version: 2025.1-1\n Architecture: all\n Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>\n-Installed-Size: 329335\n+Installed-Size: 329334\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": "@@ -4906,15 +4906,15 @@\n -rw-r--r-- 0 root (0) root (0) 57841 2025-03-12 01:30:11.000000 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655f >.<title>module_\n-00001540: 7372 635f 6772 6f6d 6163 735f 746f 6f6c src_gromacs_tool\n-00001550: 733c 2f74 6974 6c65 3e0a 3c65 6c6c 6970 s</title>.<ellip\n-00001560: 7365 2066 696c 6c3d 2223 6266 6266 6266 se fill=\"#bfbfbf\n-00001570: 2220 7374 726f 6b65 3d22 626c 6163 6b22 \" stroke=\"black\"\n-00001580: 2063 783d 2231 3535 322e 3536 2220 6379 cx=\"1552.56\" cy\n-00001590: 3d22 2d31 3334 392e 3731 2220 7278 3d22 =\"-1349.71\" rx=\"\n-000015a0: 3237 2220 7279 3d22 3133 2e33 3722 2f3e 27\" ry=\"13.37\"/>\n-000015b0: 0a3c 7465 7874 2074 6578 742d 616e 6368 .<text text-anch\n-000015c0: 6f72 3d22 6d69 6464 6c65 2220 783d 2231 or=\"middle\" x=\"1\n-000015d0: 3535 322e 3536 2220 793d 222d 3133 3437 552.56\" y=\"-1347\n-000015e0: 2e32 3122 2066 6f6e 742d 6661 6d69 6c79 .21\" font-family\n-000015f0: 3d22 4672 6565 5361 6e73 2220 666f 6e74 =\"FreeSans\" font\n-00001600: 2d73 697a 653d 2231 302e 3030 223e 746f -size=\"10.00\">to\n-00001610: 6f6c 733c 2f74 6578 743e 0a3c 2f67 3e0a 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2031 3039 .93,-1049.62 109\n-00002d70: 372e 3534 2c2d 3130 3433 2e34 3520 3130 7.54,-1043.45 10\n-00002d80: 3836 2e39 352c 2d31 3034 322e 3931 2031 86.95,-1042.91 1\n-00002d90: 3038 382e 3933 2c2d 3130 3439 2e36 3222 088.93,-1049.62\"\n-00002da0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-00002db0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00002dc0: 636f 6d6d 616e 646c 696e 6526 2334 353b commandline-\n-00002dd0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00002de0: 726f 6d61 6373 5f6f 6e6c 696e 6568 656c romacs_onlinehel\n-00002df0: 7020 2d2d 3e0a 3c67 2069 643d 2265 6467 p -->.<g id=\"edg\n-00002e00: 6533 2220 636c 6173 733d 2265 6467 6522 e3\" class=\"edge\"\n-00002e10: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00002e20: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n-00002e30: 616e 646c 696e 6526 2334 353b 2667 743b andline->\n-00002e40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00002e50: 6373 5f6f 6e6c 696e 6568 656c 703c 2f74 cs_onlinehelp</t\n-00002e60: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00002e70: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00002e80: 2332 3832 6663 6322 2064 3d22 4d38 3835 #282fcc\" d=\"M885\n-00002e90: 2e39 392c 2d31 3039 312e 3039 4339 3033 .99,-1091.09C903\n-00002ea0: 2e35 382c 2d31 3038 382e 3833 2039 3233 .58,-1088.83 923\n-00002eb0: 2e39 392c 2d31 3038 362e 3433 2039 3432 .99,-1086.43 942\n-00002ec0: 2e35 362c 2d31 3038 342e 3739 2031 3233 .56,-1084.79 123\n-00002ed0: 382e 3238 2c2d 3130 3538 2e36 3420 3133 8.28,-1058.64 13\n-00002ee0: 3133 2e33 342c 2d31 3036 382e 3539 2031 13.34,-1068.59 1\n-00002ef0: 3630 392e 3536 2c2d 3130 3438 2e37 3920 609.56,-1048.79 \n-00002f00: 3136 3435 2c2d 3130 3436 2e34 3220 3136 1645,-1046.42 16\n-00002f10: 3834 2e39 322c 2d31 3034 332e 3233 2031 84.92,-1043.23 1\n-00002f20: 3731 352e 3531 2c2d 3130 3430 2e36 3722 715.51,-1040.67\"\n-00002f30: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-00002f40: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-00002f50: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n-00002f60: 7473 3d22 3137 3135 2e38 332c 2d31 3034 ts=\"1715.83,-104\n-00002f70: 342e 3136 2031 3732 352e 352c 2d31 3033 4.16 1725.5,-103\n-00002f80: 392e 3833 2031 3731 352e 3234 2c2d 3130 9.83 1715.24,-10\n-00002f90: 3337 2e31 3820 3137 3135 2e38 332c 2d31 37.18 1715.83,-1\n-00002fa0: 3034 342e 3136 222f 3e0a 3c2f 673e 0a3c 044.16\"/>.</g>.<\n-00002fb0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00002fc0: 726f 6d61 6373 5f6f 7074 696f 6e73 202d romacs_options -\n-00002fd0: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3332 ->.<g id=\"node32\n-00002fe0: 2220 636c 6173 733d 226e 6f64 6522 3e0a \" class=\"node\">.\n-00002ff0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00003000: 635f 6772 6f6d 6163 735f 6f70 7469 6f6e c_gromacs_option\n-00003010: 733c 2f74 6974 6c65 3e0a 3c67 2069 643d s</title>.<g 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y=\"\n-00003100: 2d34 3637 2e30 3322 2066 6f6e 742d 6661 -467.03\" font-fa\n-00003110: 6d69 6c79 3d22 4672 6565 5361 6e73 2220 mily=\"FreeSans\" \n-00003120: 666f 6e74 2d73 697a 653d 2231 302e 3030 font-size=\"10.00\n-00003130: 223e 6f70 7469 6f6e 733c 2f74 6578 743e \">options</text>\n-00003140: 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a .</a>.</g>.</g>.\n-00003150: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-00003160: 6772 6f6d 6163 735f 636f 6d6d 616e 646c gromacs_commandl\n-00003170: 696e 6526 2334 353b 2667 743b 6d6f 6475 ine->modu\n-00003180: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6f le_src_gromacs_o\n-00003190: 7074 696f 6e73 202d 2d3e 0a3c 6720 6964 ptions -->.<g id\n-000031a0: 3d22 6564 6765 3222 2063 6c61 7373 3d22 =\"edge2\" class=\"\n-000031b0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-000031c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000031d0: 5f63 6f6d 6d61 6e64 6c69 6e65 2623 3435 _commandline-\n-000031e0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000031f0: 6772 6f6d 6163 735f 6f70 7469 6f6e 733c gromacs_options<\n-00003200: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00003210: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00003220: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-00003230: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-00003240: 2220 643d 224d 3838 362e 3739 2c2d 3130 \" d=\"M886.79,-10\n-00003250: 3931 2e34 3543 3930 342e 3231 2c2d 3130 91.45C904.21,-10\n-00003260: 3839 2e32 3820 3932 342e 332c 2d31 3038 89.28 924.3,-108\n-00003270: 362e 3835 2039 3432 2e35 362c 2d31 3038 6.85 942.56,-108\n-00003280: 342e 3739 2031 3138 352e 3032 2c2d 3130 4.79 1185.02,-10\n-00003290: 3537 2e35 2031 3236 382e 362c 2d31 3130 57.5 1268.6,-110\n-000032a0: 332e 3139 2031 3438 322e 3536 2c2d 3938 3.19 1482.56,-98\n-000032b0: 352e 3932 2031 3632 332e 3639 2c2d 3930 5.92 1623.69,-90\n-000032c0: 382e 3537 2031 3633 382e 3536 2c2d 3832 8.57 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6f64 s -->.<g id=\"nod\n-00003580: 6534 2220 636c 6173 733d 226e 6f64 6522 e4\" class=\"node\"\n-00003590: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-000035a0: 7372 635f 6772 6f6d 6163 735f 7374 6174 src_gromacs_stat\n-000035b0: 6973 7469 6373 3c2f 7469 746c 653e 0a3c istics</title>.<\n-000035c0: 656c 6c69 7073 6520 6669 6c6c 3d22 2362 ellipse fill=\"#b\n-000035d0: 6662 6662 6622 2073 7472 6f6b 653d 2262 fbfbf\" stroke=\"b\n-000035e0: 6c61 636b 2220 6378 3d22 3939 312e 3536 lack\" cx=\"991.56\n-000035f0: 2220 6379 3d22 2d31 3039 382e 3233 2220 \" cy=\"-1098.23\" \n-00003600: 7278 3d22 3339 2e37 2220 7279 3d22 3133 rx=\"39.7\" ry=\"13\n-00003610: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578 .37\"/>.<text tex\n-00003620: 742d 616e 6368 6f72 3d22 6d69 6464 6c65 t-anchor=\"middle\n-00003630: 2220 783d 2239 3931 2e35 3622 2079 3d22 \" x=\"991.56\" y=\"\n-00003640: 2d31 3039 352e 3733 2220 666f 6e74 2d66 -1095.73\" font-f\n-00003650: 616d 696c 793d 2246 7265 6553 616e 7322 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font-fam\n-000039f0: 696c 793d 2246 7265 6553 616e 7322 2066 ily=\"FreeSans\" f\n-00003a00: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022 ont-size=\"10.00\"\n-00003a10: 3e6d 6f64 756c 6172 7369 6d75 6c61 746f >modularsimulato\n-00003a20: 723c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f r</text>.</a>.</\n-00003a30: 673e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 g>.</g>.<!-- mod\n-00003a40: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00003a50: 6669 6c65 696f 2623 3435 3b26 6774 3b6d fileio->m\n-00003a60: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00003a70: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n-00003a80: 6f72 202d 2d3e 0a3c 6720 6964 3d22 6564 or -->.<g id=\"ed\n-00003a90: 6765 3131 2220 636c 6173 733d 2265 6467 ge11\" class=\"edg\n-00003aa0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-00003ab0: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-00003ac0: 6c65 696f 2623 3435 3b26 6774 3b6d 6f64 leio->mod\n-00003ad0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00003ae0: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n-00003af0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n-00003b00: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n-00003b10: 653d 2272 6564 2220 643d 224d 3131 3134 e=\"red\" d=\"M1114\n-00003b20: 2e30 312c 2d31 3032 322e 3034 4331 3131 .01,-1022.04C111\n-00003b30: 322e 3839 2c2d 3130 3134 2e36 3320 3131 2.89,-1014.63 11\n-00003b40: 3132 2e35 352c 2d31 3030 342e 3937 2031 12.55,-1004.97 1\n-00003b50: 3131 332e 3031 2c2d 3939 362e 3232 222f 113.01,-996.22\"/\n-00003b60: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-00003b70: 2272 6564 2220 7374 726f 6b65 3d22 7265 \"red\" stroke=\"re\n-00003b80: 6422 2070 6f69 6e74 733d 2231 3131 362e d\" points=\"1116.\n-00003b90: 352c 2d39 3936 2e34 3920 3131 3133 2e39 5,-996.49 1113.9\n-00003ba0: 352c 2d39 3836 2e32 2031 3130 392e 3533 5,-986.2 1109.53\n-00003bb0: 2c2d 3939 352e 3833 2031 3131 362e 352c 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text-ancho\n-00003ca0: 723d 226d 6964 646c 6522 2078 3d22 3634 r=\"middle\" x=\"64\n-00003cb0: 382e 3536 2220 793d 222d 3839 2e38 3122 8.56\" y=\"-89.81\"\n-00003cc0: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672 font-family=\"Fr\n-00003cd0: 6565 5361 6e73 2220 666f 6e74 2d73 697a eeSans\" font-siz\n-00003ce0: 653d 2231 302e 3030 223e 676d 786c 6962 e=\"10.00\">gmxlib\n-00003cf0: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d </text>.</g>.<!-\n-00003d00: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-00003d10: 6d61 6373 5f66 696c 6569 6f26 2334 353b macs_fileio-\n-00003d20: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00003d30: 726f 6d61 6373 5f67 6d78 6c69 6220 2d2d romacs_gmxlib --\n-00003d40: 3e0a 3c67 2069 643d 2265 6467 6539 2220 >.<g id=\"edge9\" \n-00003d50: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-00003d60: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-00003d70: 6772 6f6d 6163 735f 6669 6c65 696f 2623 gromacs_fileio&#\n-00003d80: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00003d90: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n-00003da0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n-00003db0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n-00003dc0: 653d 2223 6266 6266 6266 2220 643d 224d e=\"#bfbfbf\" d=\"M\n-00003dd0: 3130 3932 2e39 2c2d 3130 3332 2e38 3443 1092.9,-1032.84C\n-00003de0: 3130 3233 2e34 382c 2d31 3032 382e 3532 1023.48,-1028.52\n-00003df0: 2038 3338 2e38 332c 2d31 3031 342e 3539 838.83,-1014.59\n-00003e00: 2037 3835 2e35 362c 2d39 3835 2e39 3220 785.56,-985.92 \n-00003e10: 3731 332e 3136 2c2d 3934 362e 3936 2036 713.16,-946.96 6\n-00003e20: 3632 2e35 362c 2d39 3239 2e39 3620 3636 62.56,-929.96 66\n-00003e30: 322e 3536 2c2d 3834 372e 3735 2036 3632 2.56,-847.75 662\n-00003e40: 2e35 362c 2d38 3437 2e37 3520 3636 322e .56,-847.75 662.\n-00003e50: 3536 2c2d 3834 372e 3735 2036 3632 2e35 56,-847.75 662.5\n-00003e60: 362c 2d37 3832 2e38 3820 3636 322e 3536 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696f c_gromacs_fileio\n-00004040: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00004050: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n-00004060: 6563 746f 7279 3c2f 7469 746c 653e 0a3c ectory</title>.<\n-00004070: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00004080: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00004090: 2220 643d 224d 3131 3436 2e35 352c 2d31 \" d=\"M1146.55,-1\n-000040a0: 3033 342e 3943 3132 3537 2e33 372c 2d31 034.9C1257.37,-1\n-000040b0: 3033 352e 3938 2031 3638 352e 3239 2c2d 035.98 1685.29,-\n-000040c0: 3130 3238 2e35 2031 3937 352e 3536 2c2d 1028.5 1975.56,-\n-000040d0: 3836 302e 3138 2031 3938 322e 3231 2c2d 860.18 1982.21,-\n-000040e0: 3835 362e 3332 2032 3031 322c 2d38 3235 856.32 2012,-825\n-000040f0: 2e35 3620 3230 3331 2e39 382c 2d38 3034 .56 2031.98,-804\n-00004100: 2e35 3622 2f3e 0a3c 706f 6c79 676f 6e20 .56\"/>.<polygon \n-00004110: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n-00004120: 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cy=\"-4\n-00004930: 3639 2e35 3322 2072 783d 2233 342e 3822 69.53\" rx=\"34.8\"\n-00004940: 2072 793d 2231 332e 3337 222f 3e0a 3c74 ry=\"13.37\"/>.<t\n-00004950: 6578 7420 7465 7874 2d61 6e63 686f 723d ext text-anchor=\n-00004960: 226d 6964 646c 6522 2078 3d22 3137 3338 \"middle\" x=\"1738\n-00004970: 2e35 3622 2079 3d22 2d34 3637 2e30 3322 .56\" y=\"-467.03\"\n-00004980: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672 font-family=\"Fr\n-00004990: 6565 5361 6e73 2220 666f 6e74 2d73 697a eeSans\" font-siz\n-000049a0: 653d 2231 302e 3030 223e 636f 6d70 6174 e=\"10.00\">compat\n-000049b0: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d </text>.</g>.<!-\n-000049c0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-000049d0: 6d61 6373 5f66 696c 6569 6f26 2334 353b macs_fileio-\n-000049e0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-000049f0: 726f 6d61 6373 5f63 6f6d 7061 7420 2d2d romacs_compat --\n-00004a00: 3e0a 3c67 2069 643d 2265 6467 6536 2220 >.<g id=\"edge6\" \n-00004a10: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-00004a20: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-00004a30: 6772 6f6d 6163 735f 6669 6c65 696f 2623 gromacs_fileio&#\n-00004a40: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00004a50: 635f 6772 6f6d 6163 735f 636f 6d70 6174 c_gromacs_compat\n-00004a60: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n-00004a70: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n-00004a80: 653d 2223 3238 3266 6363 2220 7374 726f e=\"#282fcc\" stro\n-00004a90: 6b65 2d64 6173 6861 7272 6179 3d22 352c ke-dasharray=\"5,\n-00004aa0: 3222 2064 3d22 4d31 3134 362e 3138 2c2d 2\" d=\"M1146.18,-\n-00004ab0: 3130 3332 2e39 3243 3132 3032 2e39 352c 1032.92C1202.95,\n-00004ac0: 2d31 3032 392e 3332 2031 3333 392e 3733 -1029.32 1339.73\n-00004ad0: 2c2d 3130 3137 2e38 3120 3134 3439 2e35 ,-1017.81 1449.5\n-00004ae0: 362c 2d39 3835 2e39 3220 3135 3831 2e33 6,-985.92 1581.3\n-00004af0: 352c 2d39 3437 2e36 3620 3136 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fo\n-000054c0: 6e74 2d66 616d 696c 793d 2246 7265 6553 nt-family=\"FreeS\n-000054d0: 616e 7322 2066 6f6e 742d 7369 7a65 3d22 ans\" font-size=\"\n-000054e0: 3130 2e30 3022 3e63 6f6f 7264 696e 6174 10.00\">coordinat\n-000054f0: 6569 6f3c 2f74 6578 743e 0a3c 2f61 3e0a eio</text>.</a>.\n-00005500: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d </g>.</g>.<!-- m\n-00005510: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00005520: 735f 636f 6f72 6469 6e61 7465 696f 2623 s_coordinateio&#\n-00005530: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00005540: 635f 6772 6f6d 6163 735f 6f70 7469 6f6e c_gromacs_option\n-00005550: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n-00005560: 6531 3322 2063 6c61 7373 3d22 6564 6765 e13\" class=\"edge\n-00005570: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-00005580: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6f _src_gromacs_coo\n-00005590: 7264 696e 6174 6569 6f26 2334 353b 2667 rdinateio-&g\n-000055a0: 743b 6d6f 6475 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653e 0a3c 7061 7468 2066 </title>.<path f\n-00005a30: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n-00005a40: 653d 2223 6266 6266 6266 2220 643d 224d e=\"#bfbfbf\" d=\"M\n-00005a50: 3133 3539 2e39 352c 2d33 3330 2e34 3743 1359.95,-330.47C\n-00005a60: 3133 3637 2e30 312c 2d33 3231 2e38 3320 1367.01,-321.83 \n-00005a70: 3133 3738 2e31 312c 2d33 3130 2e31 3320 1378.11,-310.13 \n-00005a80: 3133 3838 2e34 2c2d 3330 302e 3338 222f 1388.4,-300.38\"/\n-00005a90: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-00005aa0: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n-00005ab0: 3d22 2362 6662 6662 6622 2070 6f69 6e74 =\"#bfbfbf\" point\n-00005ac0: 733d 2231 3339 312e 3032 2c2d 3330 322e s=\"1391.02,-302.\n-00005ad0: 3733 2031 3339 362e 3032 2c2d 3239 332e 73 1396.02,-293.\n-00005ae0: 3339 2031 3338 362e 3238 2c2d 3239 372e 39 1386.28,-297.\n-00005af0: 3537 2031 3339 312e 3032 2c2d 3330 322e 57 1391.02,-302.\n-00005b00: 3733 222f 3e0a 3c2f 673e 0a3c 212d 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x=\"359.56\n-00005bf0: 2220 793d 222d 3532 392e 3922 2066 6f6e \" y=\"-529.9\" fon\n-00005c00: 742d 6661 6d69 6c79 3d22 4672 6565 5361 t-family=\"FreeSa\n-00005c10: 6e73 2220 666f 6e74 2d73 697a 653d 2231 ns\" font-size=\"1\n-00005c20: 302e 3030 223e 7075 6c6c 696e 673c 2f74 0.00\">pulling</t\n-00005c30: 6578 743e 0a3c 2f67 3e0a 3c21 2d2d 206d ext>.</g>.<!-- m\n-00005c40: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00005c50: 735f 7075 6c6c 696e 6726 2334 353b 2667 s_pulling-&g\n-00005c60: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00005c70: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n-00005c80: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-00005c90: 3138 2220 636c 6173 733d 2265 6467 6522 18\" class=\"edge\"\n-00005ca0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00005cb0: 7372 635f 6772 6f6d 6163 735f 7075 6c6c src_gromacs_pull\n-00005cc0: 696e 6726 2334 353b 2667 743b 6d6f 6475 ing->modu\n-00005cd0: 6c65 5f73 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.<title>module_s\n+00001fe0: 7263 5f70 726f 6772 616d 735f 6d64 7275 rc_programs_mdru\n+00001ff0: 6e5f 7465 7374 7326 2334 353b 2667 743b n_tests->\n+00002000: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00002010: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n+00002020: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n+00002030: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n+00002040: 653d 2223 3263 6363 3238 2220 7374 726f e=\"#2ccc28\" stro\n+00002050: 6b65 2d64 6173 6861 7272 6179 3d22 352c ke-dasharray=\"5,\n+00002060: 3222 2064 3d22 4d31 3433 2e30 362c 2d31 2\" d=\"M143.06,-1\n+00002070: 3032 2e33 3243 3135 332e 3834 2c2d 3130 02.32C153.84,-10\n+00002080: 332e 3731 2031 3635 2e30 322c 2d31 3034 3.71 165.02,-104\n+00002090: 2e39 3420 3137 352e 3536 2c2d 3130 352e .94 175.56,-105.\n+000020a0: 3734 2033 3135 2e33 342c 2d31 3136 2e33 74 315.34,-116.3\n+000020b0: 3520 3235 3638 2e30 392c 2d39 302e 3438 5 2568.09,-90.48\n+000020c0: 2032 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title>module_src\n+00002290: 5f67 726f 6d61 6373 5f6d 6473 7061 6e3c _gromacs_mdspan<\n+000022a0: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365 /title>.<ellipse\n+000022b0: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+000022c0: 7374 726f 6b65 3d22 626c 6163 6b22 2063 stroke=\"black\" c\n+000022d0: 783d 2239 3337 2e35 3622 2063 793d 222d x=\"937.56\" cy=\"-\n+000022e0: 3239 2e34 3422 2072 783d 2233 362e 3132 29.44\" rx=\"36.12\n+000022f0: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c \" ry=\"13.37\"/>.<\n+00002300: 7465 7874 2074 6578 742d 616e 6368 6f72 text text-anchor\n+00002310: 3d22 6d69 6464 6c65 2220 783d 2239 3337 =\"middle\" x=\"937\n+00002320: 2e35 3622 2079 3d22 2d32 362e 3934 2220 .56\" y=\"-26.94\" \n+00002330: 666f 6e74 2d66 616d 696c 793d 2246 7265 font-family=\"Fre\n+00002340: 6553 616e 7322 2066 6f6e 742d 7369 7a65 eSans\" font-size\n+00002350: 3d22 3130 2e30 3022 3e6d 6473 7061 6e3c =\"10.00\">mdspan<\n+00002360: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d 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eio -->.<g id=\"n\n+00002540: 6f64 6533 3722 2063 6c61 7373 3d22 6e6f ode37\" class=\"no\n+00002550: 6465 223e 0a3c 7469 746c 653e 6d6f 6475 de\">.<title>modu\n+00002560: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+00002570: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c65 ileio</title>.<e\n+00002580: 6c6c 6970 7365 2066 696c 6c3d 2223 6266 llipse fill=\"#bf\n+00002590: 6266 6266 2220 7374 726f 6b65 3d22 626c bfbf\" stroke=\"bl\n+000025a0: 6163 6b22 2063 783d 2231 3838 312e 3536 ack\" cx=\"1881.56\n+000025b0: 2220 6379 3d22 2d36 3538 2e31 3422 2072 \" cy=\"-658.14\" r\n+000025c0: 783d 2232 3722 2072 793d 2231 332e 3337 x=\"27\" ry=\"13.37\n+000025d0: 222f 3e0a 3c74 6578 7420 7465 7874 2d61 \"/>.<text text-a\n+000025e0: 6e63 686f 723d 226d 6964 646c 6522 2078 nchor=\"middle\" x\n+000025f0: 3d22 3138 3831 2e35 3622 2079 3d22 2d36 =\"1881.56\" y=\"-6\n+00002600: 3535 2e36 3422 2066 6f6e 742d 6661 6d69 55.64\" font-fami\n+00002610: 6c79 3d22 4672 6565 5361 6e73 2220 666f ly=\"FreeSans\" fo\n+00002620: 6e74 2d73 697a 653d 2231 302e 3030 223e nt-size=\"10.00\">\n+00002630: 6669 6c65 696f 3c2f 7465 7874 3e0a 3c2f fileio</text>.</\n+00002640: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00002650: 7263 5f70 726f 6772 616d 735f 6d64 7275 rc_programs_mdru\n+00002660: 6e5f 7465 7374 7326 2334 353b 2667 743b n_tests->\n+00002670: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00002680: 6373 5f66 696c 6569 6f20 2d2d 3e0a 3c67 cs_fileio -->.<g\n+00002690: 2069 643d 2265 6467 6532 3737 2220 636c id=\"edge277\" cl\n+000026a0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+000026b0: 6c65 3e6d 6f64 756c 655f 7372 635f 7072 le>module_src_pr\n+000026c0: 6f67 7261 6d73 5f6d 6472 756e 5f74 6573 ograms_mdrun_tes\n+000026d0: 7473 2623 3435 3b26 6774 3b6d 6f64 756c ts->modul\n+000026e0: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n+000026f0: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio</title>.<pa\n+00002700: 7468 2066 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6573 ograms_mdrun_tes\n+00002aa0: 7473 2623 3435 3b26 6774 3b6d 6f64 756c ts->modul\n+00002ab0: 655f 7372 635f 6772 6f6d 6163 735f 7472 e_src_gromacs_tr\n+00002ac0: 616a 6563 746f 7279 202d 2d3e 0a3c 6720 ajectory -->.<g \n+00002ad0: 6964 3d22 6564 6765 3237 3922 2063 6c61 id=\"edge279\" cla\n+00002ae0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+00002af0: 653e 6d6f 6475 6c65 5f73 7263 5f70 726f e>module_src_pro\n+00002b00: 6772 616d 735f 6d64 7275 6e5f 7465 7374 grams_mdrun_test\n+00002b10: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00002b20: 5f73 7263 5f67 726f 6d61 6373 5f74 7261 _src_gromacs_tra\n+00002b30: 6a65 6374 6f72 793c 2f74 6974 6c65 3e0a jectory</title>.\n+00002b40: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n+00002b50: 2220 7374 726f 6b65 3d22 2332 6363 6332 \" stroke=\"#2ccc2\n+00002b60: 3822 2073 7472 6f6b 652d 6461 7368 6172 8\" stroke-dashar\n+00002b70: 7261 793d 2235 2c32 2220 643d 224d 3134 ray=\"5,2\" d=\"M14\n+00002b80: 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x=\"31.64\" ry=\"13\n+00002d50: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578 .37\"/>.<text tex\n+00002d60: 742d 616e 6368 6f72 3d22 6d69 6464 6c65 t-anchor=\"middle\n+00002d70: 2220 783d 2234 3833 2e35 3622 2079 3d22 \" x=\"483.56\" y=\"\n+00002d80: 2d31 3039 352e 3733 2220 666f 6e74 2d66 -1095.73\" font-f\n+00002d90: 616d 696c 793d 2246 7265 6553 616e 7322 amily=\"FreeSans\"\n+00002da0: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30 font-size=\"10.0\n+00002db0: 3022 3e70 6263 7574 696c 3c2f 7465 7874 0\">pbcutil</text\n+00002dc0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00002dd0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00002de0: 7075 5f75 7469 6c73 202d 2d3e 0a3c 6720 pu_utils -->.<g \n+00002df0: 6964 3d22 6e6f 6465 3237 2220 636c 6173 id=\"node27\" clas\n+00002e00: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65 s=\"node\">.<title\n+00002e10: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00002e20: 6163 735f 6770 755f 7574 696c 733c 2f74 acs_gpu_utils</t\n+00002e30: 6974 6c65 3e0a 3c65 6c6c 6970 7365 2066 itle>.<ellipse f\n+00002e40: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+00002e50: 726f 6b65 3d22 626c 6163 6b22 2063 783d roke=\"black\" cx=\n+00002e60: 2233 3631 2e35 3622 2063 793d 222d 3130 \"361.56\" cy=\"-10\n+00002e70: 3335 2e33 3622 2072 783d 2233 392e 3722 35.36\" rx=\"39.7\"\n+00002e80: 2072 793d 2231 332e 3337 222f 3e0a 3c74 ry=\"13.37\"/>.<t\n+00002e90: 6578 7420 7465 7874 2d61 6e63 686f 723d ext text-anchor=\n+00002ea0: 226d 6964 646c 6522 2078 3d22 3336 312e \"middle\" x=\"361.\n+00002eb0: 3536 2220 793d 222d 3130 3332 2e38 3622 56\" y=\"-1032.86\"\n+00002ec0: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672 font-family=\"Fr\n+00002ed0: 6565 5361 6e73 2220 666f 6e74 2d73 697a eeSans\" font-siz\n+00002ee0: 653d 2231 302e 3030 223e 6770 755f 7574 e=\"10.00\">gpu_ut\n+00002ef0: 696c 733c 2f74 6578 743e 0a3c 2f67 3e0a ils</text>.</g>.\n+00002f00: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00002f10: 6772 6f6d 6163 735f 7062 6375 7469 6c26 gromacs_pbcutil&\n+00002f20: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00002f30: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n+00002f40: 7469 6c73 202d 2d3e 0a3c 6720 6964 3d22 tils -->.<g id=\"\n+00002f50: 6564 6765 3122 2063 6c61 7373 3d22 6564 edge1\" class=\"ed\n+00002f60: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00002f70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n+00002f80: 6263 7574 696c 2623 3435 3b26 6774 3b6d bcutil->m\n+00002f90: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00002fa0: 735f 6770 755f 7574 696c 733c 2f74 6974 s_gpu_utils</tit\n+00002fb0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00002fc0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+00002fd0: 6662 6662 6622 2064 3d22 4d34 3633 2e39 fbfbf\" d=\"M463.9\n+00002fe0: 362c 2d31 3038 372e 3435 4334 3434 2e35 6,-1087.45C444.5\n+00002ff0: 312c 2d31 3037 372e 3734 2034 3134 2e34 1,-1077.74 414.4\n+00003000: 332c 2d31 3036 322e 3733 2033 3931 2e38 3,-1062.73 391.8\n+00003010: 392c 2d31 3035 312e 3439 222f 3e0a 3c70 9,-1051.49\"/>.<p\n+00003020: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+00003030: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+00003040: 6662 6662 6622 2070 6f69 6e74 733d 2233 fbfbf\" points=\"3\n+00003050: 3933 2e32 362c 2d31 3034 382e 3236 2033 93.26,-1048.26 3\n+00003060: 3832 2e37 352c 2d31 3034 362e 3933 2033 82.75,-1046.93 3\n+00003070: 3930 2e31 342c 2d31 3035 342e 3533 2033 90.14,-1054.53 3\n+00003080: 3933 2e32 362c 2d31 3034 382e 3236 222f 93.26,-1048.26\"/\n+00003090: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+000030a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e le_src_gromacs_n\n+000030b0: 626e 786d 202d 2d3e 0a3c 6720 6964 3d22 bnxm -->.<g id=\"\n+000030c0: 6e6f 6465 3322 2063 6c61 7373 3d22 6e6f node3\" class=\"no\n+000030d0: 6465 223e 0a3c 7469 746c 653e 6d6f 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text-an\n+000031c0: 6368 6f72 3d22 6d69 6464 6c65 2220 783d chor=\"middle\" x=\n+000031d0: 2235 3431 2e35 3622 2079 3d22 2d39 3639 \"541.56\" y=\"-969\n+000031e0: 2e39 3922 2066 6f6e 742d 6661 6d69 6c79 .99\" font-family\n+000031f0: 3d22 4672 6565 5361 6e73 2220 666f 6e74 =\"FreeSans\" font\n+00003200: 2d73 697a 653d 2231 302e 3030 223e 6e62 -size=\"10.00\">nb\n+00003210: 6e78 6d3c 2f74 6578 743e 0a3c 2f61 3e0a nxm</text>.</a>.\n+00003220: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d </g>.</g>.<!-- m\n+00003230: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00003240: 735f 6e62 6e78 6d26 2334 353b 2667 743b s_nbnxm->\n+00003250: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00003260: 6373 5f68 6172 6477 6172 6520 2d2d 3e0a cs_hardware -->.\n+00003270: 3c67 2069 643d 2265 6467 6535 2220 636c <g id=\"edge5\" cl\n+00003280: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00003290: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+000032a0: 6f6d 6163 735f 6e62 6e78 6d26 2334 353b omacs_nbnxm-\n+000032b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000032c0: 726f 6d61 6373 5f68 6172 6477 6172 653c romacs_hardware<\n+000032d0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+000032e0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+000032f0: 3d22 7265 6422 2064 3d22 4d35 3230 2e39 =\"red\" d=\"M520.9\n+00003300: 392c 2d39 3631 2e39 3643 3530 352e 3334 9,-961.96C505.34\n+00003310: 2c2d 3935 332e 3732 2034 3834 2e33 382c ,-953.72 484.38,\n+00003320: 2d39 3430 2e34 3120 3437 312e 3536 2c2d -940.41 471.56,-\n+00003330: 3932 332e 3035 2033 3931 2e35 2c2d 3831 923.05 391.5,-81\n+00003340: 342e 3632 2032 3838 2e35 362c 2d34 3739 4.62 288.56,-479\n+00003350: 2e35 3720 3238 382e 3536 2c2d 3334 342e .57 288.56,-344.\n+00003360: 3739 2032 3838 2e35 362c 2d33 3434 2e37 79 288.56,-344.7\n+00003370: 3920 3238 382e 3536 2c2d 3334 342e 3739 9 288.56,-344.79\n+00003380: 2032 3838 2e35 362c 2d32 3137 2e30 3520 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class=\"node\">.<t\n+00003470: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00003480: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n+00003490: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365 /title>.<ellipse\n+000034a0: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+000034b0: 7374 726f 6b65 3d22 626c 6163 6b22 2063 stroke=\"black\" c\n+000034c0: 783d 2238 3837 2e35 3622 2063 793d 222d x=\"887.56\" cy=\"-\n+000034d0: 3930 392e 3632 2220 7278 3d22 3338 2e33 909.62\" rx=\"38.3\n+000034e0: 3722 2072 793d 2231 332e 3337 222f 3e0a 7\" ry=\"13.37\"/>.\n+000034f0: 3c74 6578 7420 7465 7874 2d61 6e63 686f <text text-ancho\n+00003500: 723d 226d 6964 646c 6522 2078 3d22 3838 r=\"middle\" x=\"88\n+00003510: 372e 3536 2220 793d 222d 3930 372e 3132 7.56\" y=\"-907.12\n+00003520: 2220 666f 6e74 2d66 616d 696c 793d 2246 \" font-family=\"F\n+00003530: 7265 6553 616e 7322 2066 6f6e 742d 7369 reeSans\" font-si\n+00003540: 7a65 3d22 3130 2e30 3022 3e6d 6474 7970 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6973 7465 rc_gromacs_liste\n+00003720: 645f 666f 7263 6573 202d 2d3e 0a3c 6720 d_forces -->.<g \n+00003730: 6964 3d22 6e6f 6465 3231 2220 636c 6173 id=\"node21\" clas\n+00003740: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65 s=\"node\">.<title\n+00003750: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00003760: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n+00003770: 733c 2f74 6974 6c65 3e0a 3c67 2069 643d s</title>.<g id=\n+00003780: 2261 5f6e 6f64 6532 3122 3e3c 6120 786c \"a_node21\"><a xl\n+00003790: 696e 6b3a 6872 6566 3d22 6772 6f75 705f ink:href=\"group_\n+000037a0: 5f6d 6f64 756c 655f 5f6c 6973 7465 645f _module__listed_\n+000037b0: 5f66 6f72 6365 732e 7868 746d 6c22 2074 _forces.xhtml\" t\n+000037c0: 6172 6765 743d 225f 746f 7022 2078 6c69 arget=\"_top\" xli\n+000037d0: 6e6b 3a74 6974 6c65 3d22 6c69 7374 6564 nk:title=\"listed\n+000037e0: 5f66 6f72 6365 7322 3e0a 3c65 6c6c 6970 _forces\">.<ellip\n+000037f0: 7365 2066 696c 6c3d 2223 6535 6363 6666 se 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/>.<polygon fill\n+00004570: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+00004580: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n+00004590: 7473 3d22 3936 352e 3832 2c2d 3232 342e ts=\"965.82,-224.\n+000045a0: 3637 2039 3735 2e35 352c 2d32 3230 2e34 67 975.55,-220.4\n+000045b0: 3820 3936 352e 3333 2c2d 3231 372e 3638 8 965.33,-217.68\n+000045c0: 2039 3635 2e38 322c 2d32 3234 2e36 3722 965.82,-224.67\"\n+000045d0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+000045e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000045f0: 676d 786c 6962 202d 2d3e 0a3c 6720 6964 gmxlib -->.<g id\n+00004600: 3d22 6e6f 6465 3336 2220 636c 6173 733d =\"node36\" class=\n+00004610: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d \"node\">.<title>m\n+00004620: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00004630: 735f 676d 786c 6962 3c2f 7469 746c 653e s_gmxlib</title>\n+00004640: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 .<ellipse fill=\"\n+00004650: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n+00004660: 2262 6c61 636b 2220 6378 3d22 3131 3131 \"black\" cx=\"1111\n+00004670: 2e35 3622 2063 793d 222d 3738 332e 3838 .56\" cy=\"-783.88\n+00004680: 2220 7278 3d22 3331 2e36 3422 2072 793d \" rx=\"31.64\" ry=\n+00004690: 2231 332e 3337 222f 3e0a 3c74 6578 7420 \"13.37\"/>.<text \n+000046a0: 7465 7874 2d61 6e63 686f 723d 226d 6964 text-anchor=\"mid\n+000046b0: 646c 6522 2078 3d22 3131 3131 2e35 3622 dle\" x=\"1111.56\"\n+000046c0: 2079 3d22 2d37 3831 2e33 3822 2066 6f6e y=\"-781.38\" fon\n+000046d0: 742d 6661 6d69 6c79 3d22 4672 6565 5361 t-family=\"FreeSa\n+000046e0: 6e73 2220 666f 6e74 2d73 697a 653d 2231 ns\" font-size=\"1\n+000046f0: 302e 3030 223e 676d 786c 6962 3c2f 7465 0.00\">gmxlib</te\n+00004700: 7874 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f xt>.</g>.<!-- mo\n+00004710: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00004720: 5f6e 626e 786d 2623 3435 3b26 6774 3b6d _nbnxm->m\n+00004730: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00004740: 735f 676d 786c 6962 202d 2d3e 0a3c 6720 s_gmxlib -->.<g \n+00004750: 6964 3d22 6564 6765 3722 2063 6c61 7373 id=\"edge7\" class\n+00004760: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+00004770: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00004780: 6373 5f6e 626e 786d 2623 3435 3b26 6774 cs_nbnxm->\n+00004790: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000047a0: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib</titl\n+000047b0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+000047c0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+000047d0: 6266 6266 2220 643d 224d 3536 302e 3035 bfbf\" d=\"M560.05\n+000047e0: 2c2d 3936 312e 3239 4336 3036 2e39 382c ,-961.29C606.98,\n+000047f0: 2d39 3335 2e38 3420 3733 352e 3134 2c2d -935.84 735.14,-\n+00004800: 3836 382e 3939 2038 3439 2e35 362c 2d38 868.99 849.56,-8\n+00004810: 3333 2e33 3120 3932 352e 3939 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c_gromacs_comman\n+00004900: 646c 696e 6520 2d2d 3e0a 3c67 2069 643d dline -->.<g id=\n+00004910: 2265 6467 6531 3022 2063 6c61 7373 3d22 \"edge10\" class=\"\n+00004920: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00004930: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00004940: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d _tools->m\n+00004950: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00004960: 735f 636f 6d6d 616e 646c 696e 653c 2f74 s_commandline</t\n+00004970: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00004980: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00004990: 626c 6163 6b22 2073 7472 6f6b 652d 6461 black\" stroke-da\n+000049a0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+000049b0: 224d 3131 3937 2e30 352c 2d31 3039 352e \"M1197.05,-1095.\n+000049c0: 3033 4331 3133 342e 382c 2d31 3038 392e 03C1134.8,-1089.\n+000049d0: 3533 2039 3831 2e32 322c 2d31 3037 332e 53 981.22,-1073.\n+000049e0: 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l=\"#e5ccff\" stro\n+00004d80: 6b65 3d22 626c 6163 6b22 2063 783d 2231 ke=\"black\" cx=\"1\n+00004d90: 3030 382e 3536 2220 6379 3d22 2d34 3639 008.56\" cy=\"-469\n+00004da0: 2e35 3322 2072 783d 2233 312e 3233 2220 .53\" rx=\"31.23\" \n+00004db0: 7279 3d22 3133 2e33 3722 2f3e 0a3c 7465 ry=\"13.37\"/>.<te\n+00004dc0: 7874 2074 6578 742d 616e 6368 6f72 3d22 xt text-anchor=\"\n+00004dd0: 6d69 6464 6c65 2220 783d 2231 3030 382e middle\" x=\"1008.\n+00004de0: 3536 2220 793d 222d 3436 372e 3033 2220 56\" y=\"-467.03\" \n+00004df0: 666f 6e74 2d66 616d 696c 793d 2246 7265 font-family=\"Fre\n+00004e00: 6553 616e 7322 2066 6f6e 742d 7369 7a65 eSans\" font-size\n+00004e10: 3d22 3130 2e30 3022 3e6d 6472 756e 3c2f =\"10.00\">mdrun</\n+00004e20: 7465 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a text>.</a>.</g>.\n+00004e30: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00004e40: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f _src_gromacs_too\n+00004e50: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n+00004e60: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00004e70: 7275 6e20 2d2d 3e0a 3c67 2069 643d 2265 run -->.<g id=\"e\n+00004e80: 6467 6531 3222 2063 6c61 7373 3d22 6564 dge12\" class=\"ed\n+00004e90: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00004ea0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00004eb0: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64 ools->mod\n+00004ec0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00004ed0: 6d64 7275 6e3c 2f74 6974 6c65 3e0a 3c70 mdrun</title>.<p\n+00004ee0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n+00004ef0: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n+00004f00: 2073 7472 6f6b 652d 6461 7368 6172 7261 stroke-dasharra\n+00004f10: 793d 2235 2c32 2220 643d 224d 3131 3936 y=\"5,2\" d=\"M1196\n+00004f20: 2e33 382c 2d31 3039 372e 3533 4331 3037 .38,-1097.53C107\n+00004f30: 352e 3839 2c2d 3130 3938 2e32 3220 3539 5.89,-1098.22 59\n+00004f40: 312e 3837 2c2d 3130 3934 2e31 3820 3439 1.87,-1094.18 49\n+00004f50: 392e 3536 2c2d 3938 352e 3932 2033 3737 9.56,-985.92 377\n+00004f60: 2e36 362c 2d38 3432 2e39 3820 3436 362e .66,-842.98 466.\n+00004f70: 3737 2c2d 3638 352e 3332 2036 3233 2e35 77,-685.32 623.5\n+00004f80: 362c 2d35 3831 2e38 3320 3733 342e 3533 6,-581.83 734.53\n+00004f90: 2c2d 3530 382e 3538 2038 3934 2e33 362c ,-508.58 894.36,\n+00004fa0: 2d34 3832 2e36 3720 3936 382e 3237 2c2d -482.67 968.27,-\n+00004fb0: 3437 342e 3234 222f 3e0a 3c70 6f6c 7967 474.24\"/>.<polyg\n+00004fc0: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+00004fd0: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+00004fe0: 6322 2070 6f69 6e74 733d 2239 3638 2e39 c\" points=\"968.9\n+00004ff0: 382c 2d34 3737 2e36 3820 3937 382e 3534 8,-477.68 978.54\n+00005000: 2c2d 3437 332e 3132 2039 3638 2e32 322c ,-473.12 968.22,\n+00005010: 2d34 3730 2e37 3220 3936 382e 3938 2c2d -470.72 968.98,-\n+00005020: 3437 372e 3638 222f 3e0a 3c2f 673e 0a3c 477.68\"/>.</g>.<\n+00005030: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00005040: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n+00005050: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00005060: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n+00005070: 6f72 6365 7320 2d2d 3e0a 3c67 2069 643d orces -->.<g id=\n+00005080: 2265 6467 6532 3122 2063 6c61 7373 3d22 \"edge21\" class=\"\n+00005090: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+000050a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000050b0: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d _tools->m\n+000050c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000050d0: 735f 6c69 7374 6564 5f66 6f72 6365 733c s_listed_forces<\n+000050e0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+000050f0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00005100: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00005110: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+00005120: 2220 643d 224d 3131 3936 2e36 322c 2d31 \" d=\"M1196.62,-1\n+00005130: 3039 362e 3732 4331 3037 322e 3836 2c2d 096.72C1072.86,-\n+00005140: 3130 3934 2e32 3220 3536 322e 3039 2c2d 1094.22 562.09,-\n+00005150: 3130 3831 2e39 3620 3439 392e 3536 2c2d 1081.96 499.56,-\n+00005160: 3130 3438 2e37 3920 3433 382e 3632 2c2d 1048.79 438.62,-\n+00005170: 3130 3136 2e34 3620 3434 322e 3636 2c2d 1016.46 442.66,-\n+00005180: 3938 332e 3032 2034 3038 2e35 362c 2d39 983.02 408.56,-9\n+00005190: 3233 2e30 3520 3330 332e 312c 2d37 3337 23.05 303.1,-737\n+000051a0: 2e36 3220 3232 362e 3237 2c2d 3635 372e .62 226.27,-657.\n+000051b0: 3135 2032 3937 2e35 362c 2d34 3536 2e30 15 297.56,-456.0\n+000051c0: 3920 3334 352e 3636 2c2d 3332 302e 3435 9 345.66,-320.45\n+000051d0: 2033 3831 2e33 332c 2d32 3833 2e37 3120 381.33,-283.71 \n+000051e0: 3530 312e 3536 2c2d 3230 342e 3631 2035 501.56,-204.61 5\n+000051f0: 3336 2e34 372c 2d31 3831 2e36 3420 3538 36.47,-181.64 58\n+00005200: 322e 3236 2c2d 3136 392e 3434 2036 3137 2.26,-169.44 617\n+00005210: 2e38 322c 2d31 3633 2e30 3222 2f3e 0a3c .82,-163.02\"/>.<\n+00005220: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00005230: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00005240: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00005250: 3631 382e 3736 2c2d 3136 362e 3431 2036 618.76,-166.41 6\n+00005260: 3238 2e30 332c 2d31 3631 2e32 3920 3631 28.03,-161.29 61\n+00005270: 372e 3539 2c2d 3135 392e 3531 2036 3138 7.59,-159.51 618\n+00005280: 2e37 362c 2d31 3636 2e34 3122 2f3e 0a3c .76,-166.41\"/>.<\n+00005290: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+000052a0: 7372 635f 6772 6f6d 6163 735f 746f 6f6c src_gromacs_tool\n+000052b0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+000052c0: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n+000052d0: 6c64 202d 2d3e 0a3c 6720 6964 3d22 6564 ld -->.<g id=\"ed\n+000052e0: 6765 3135 2220 636c 6173 733d 2265 6467 ge15\" class=\"edg\n+000052f0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00005300: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n+00005310: 6f6c 7326 2334 353b 2667 743b 6d6f 6475 ols->modu\n+00005320: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+00005330: 7761 6c64 3c2f 7469 746c 653e 0a3c 7061 wald</title>.<pa\n+00005340: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n+00005350: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+00005360: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+00005370: 3d22 352c 3222 2064 3d22 4d31 3230 392e =\"5,2\" d=\"M1209.\n+00005380: 3132 2c2d 3130 3836 2e35 3143 3131 3536 12,-1086.51C1156\n+00005390: 2e34 362c 2d31 3034 372e 3420 3937 342e .46,-1047.4 974.\n+000053a0: 3431 2c2d 3931 322e 3233 2039 3130 2e32 41,-912.23 910.2\n+000053b0: 2c2d 3836 342e 3535 222f 3e0a 3c70 6f6c ,-864.55\"/>.<pol\n+000053c0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n+000053d0: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n+000053e0: 6663 6322 2070 6f69 6e74 733d 2239 3132 fcc\" points=\"912\n+000053f0: 2e30 362c 2d38 3631 2e35 3820 3930 312e .06,-861.58 901.\n+00005400: 3934 2c2d 3835 382e 3433 2039 3037 2e38 94,-858.43 907.8\n+00005410: 392c 2d38 3637 2e32 2039 3132 2e30 362c 9,-867.2 912.06,\n+00005420: 2d38 3631 2e35 3822 2f3e 0a3c 2f67 3e0a -861.58\"/>.</g>.\n+00005430: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00005440: 6772 6f6d 6163 735f 6666 7420 2d2d 3e0a gromacs_fft -->.\n+00005450: 3c67 2069 643d 226e 6f64 6532 3422 2063 <g id=\"node24\" c\n+00005460: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469 lass=\"node\">.<ti\n+00005470: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00005480: 726f 6d61 6373 5f66 6674 3c2f 7469 746c romacs_fft</titl\n+00005490: 653e 0a3c 656c 6c69 7073 6520 6669 6c6c e>.<ellipse fill\n+000054a0: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+000054b0: 653d 2262 6c61 636b 2220 6378 3d22 3231 e=\"black\" cx=\"21\n+000054c0: 3739 2e35 3622 2063 793d 222d 3738 332e 79.56\" cy=\"-783.\n+000054d0: 3838 2220 7278 3d22 3237 2220 7279 3d22 88\" rx=\"27\" ry=\"\n+000054e0: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074 13.37\"/>.<text t\n+000054f0: 6578 742d 616e 6368 6f72 3d22 6d69 6464 ext-anchor=\"midd\n+00005500: 6c65 2220 783d 2232 3137 392e 3536 2220 le\" x=\"2179.56\" \n+00005510: 793d 222d 3738 312e 3338 2220 666f 6e74 y=\"-781.38\" font\n+00005520: 2d66 616d 696c 793d 2246 7265 6553 616e -family=\"FreeSan\n+00005530: 7322 2066 6f6e 742d 7369 7a65 3d22 3130 s\" font-size=\"10\n+00005540: 2e30 3022 3e66 6674 3c2f 7465 7874 3e0a .00\">fft</text>.\n+00005550: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00005560: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f _src_gromacs_too\n+00005570: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n+00005580: 655f 7372 635f 6772 6f6d 6163 735f 6666 e_src_gromacs_ff\n+00005590: 7420 2d2d 3e0a 3c67 2069 643d 2265 6467 t -->.<g id=\"edg\n+000055a0: 6531 3622 2063 6c61 7373 3d22 6564 6765 e16\" class=\"edge\n+000055b0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+000055c0: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f _src_gromacs_too\n+000055d0: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n+000055e0: 655f 7372 635f 6772 6f6d 6163 735f 6666 e_src_gromacs_ff\n+000055f0: 743c 2f74 6974 6c65 3e0a 3c70 6174 6820 t</title>.<path \n+00005600: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n+00005610: 6b65 3d22 2362 6662 6662 6622 2064 3d22 ke=\"#bfbfbf\" d=\"\n+00005620: 4d31 3235 302e 3836 2c2d 3130 3937 2e33 M1250.86,-1097.3\n+00005630: 3943 3133 3536 2e38 322c 2d31 3039 372e 9C1356.82,-1097.\n+00005640: 3232 2031 3734 392e 3833 2c2d 3130 3839 22 1749.83,-1089\n+00005650: 2e32 3620 3230 3530 2e35 362c 2d39 3835 .26 2050.56,-985\n+00005660: 2e39 3220 3231 3033 2e34 352c 2d39 3637 .92 2103.45,-967\n+00005670: 2e37 3520 3231 3233 2e35 372c 2d39 3635 .75 2123.57,-965\n+00005680: 2e38 3520 3231 3539 2e35 362c 2d39 3233 .85 2159.56,-923\n+00005690: 2e30 3520 3231 3836 2e39 352c 2d38 3930 .05 2186.95,-890\n+000056a0: 2e34 3820 3231 3836 2e31 382c 2d38 3337 .48 2186.18,-837\n+000056b0: 2e35 3920 3231 3832 2e39 392c 2d38 3037 .59 2182.99,-807\n+000056c0: 2e35 3822 2f3e 0a3c 706f 6c79 676f 6e20 .58\"/>.<polygon \n+000056d0: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n+000056e0: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n+000056f0: 706f 696e 7473 3d22 3231 3836 2e34 312c points=\"2186.41,\n+00005700: 2d38 3036 2e37 3720 3231 3831 2e37 2c2d -806.77 2181.7,-\n+00005710: 3739 372e 3238 2032 3137 392e 3437 2c2d 797.28 2179.47,-\n+00005720: 3830 372e 3634 2032 3138 362e 3431 2c2d 807.64 2186.41,-\n+00005730: 3830 362e 3737 222f 3e0a 3c2f 673e 0a3c 806.77\"/>.</g>.<\n+00005740: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00005750: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n+00005760: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00005770: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n+00005780: 6f63 6573 7320 2d2d 3e0a 3c67 2069 643d ocess -->.<g id=\n+00005790: 2265 6467 6532 3022 2063 6c61 7373 3d22 \"edge20\" class=\"\n+000057a0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+000057b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000057c0: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d _tools->m\n+000057d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000057e0: 735f 676d 7870 7265 7072 6f63 6573 733c s_gmxpreprocess<\n+000057f0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00005800: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00005810: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n+00005820: 3234 382e 3036 2c2d 3130 3932 2e34 4331 248.06,-1092.4C1\n+00005830: 3239 382e 3033 2c2d 3130 3832 2e35 3620 298.03,-1082.56 \n+00005840: 3134 3132 2e36 352c 2d31 3035 392e 3938 1412.65,-1059.98\n+00005850: 2031 3438 302e 3136 2c2d 3130 3436 2e36 1480.16,-1046.6\n+00005860: 3822 2f3e 0a3c 706f 6c79 676f 6e20 6669 8\"/>.<polygon fi\n+00005870: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+00005880: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n+00005890: 696e 7473 3d22 3134 3831 2e30 342c 2d31 ints=\"1481.04,-1\n+000058a0: 3035 302e 3037 2031 3439 302e 3137 2c2d 050.07 1490.17,-\n+000058b0: 3130 3434 2e37 3120 3134 3739 2e36 382c 1044.71 1479.68,\n+000058c0: 2d31 3034 332e 3220 3134 3831 2e30 342c -1043.2 1481.04,\n+000058d0: 2d31 3035 302e 3037 222f 3e0a 3c2f 673e -1050.07\"/>.</g>\n+000058e0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+000058f0: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623 _gromacs_tools&#\n+00005900: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00005910: 635f 6772 6f6d 6163 735f 6d64 6c69 6220 c_gromacs_mdlib \n+00005920: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+00005930: 3722 2063 6c61 7373 3d22 6564 6765 223e 7\" class=\"edge\">\n+00005940: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00005950: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73 rc_gromacs_tools\n+00005960: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00005970: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+00005980: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b</title>.<path \n+00005990: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n+000059a0: 6b65 3d22 2362 6662 6662 6622 2064 3d22 ke=\"#bfbfbf\" d=\"\n+000059b0: 4d31 3139 362e 3332 2c2d 3130 3937 2e34 M1196.32,-1097.4\n+000059c0: 3843 3130 3835 2e36 362c 2d31 3039 382e 8C1085.66,-1098.\n+000059d0: 3139 2036 3639 2e38 362c 2d31 3039 372e 19 669.86,-1097.\n+000059e0: 3439 2035 3439 2e35 362c 2d31 3034 382e 49 549.56,-1048.\n+000059f0: 3739 2035 3039 2e32 342c 2d31 3033 322e 79 509.24,-1032.\n+00005a00: 3437 2035 3030 2e38 362c 2d31 3032 302e 47 500.86,-1020.\n+00005a10: 3536 2034 3734 2e35 362c 2d39 3835 2e39 56 474.56,-985.9\n+00005a20: 3220 3338 332e 3334 2c2d 3836 352e 3738 2 383.34,-865.78\n+00005a30: 2033 3639 2e37 2c2d 3832 302e 3633 2033 369.7,-820.63 3\n+00005a40: 3436 2e35 362c 2d36 3731 2e35 3720 3331 46.56,-671.57 31\n+00005a50: 312e 3936 2c2d 3434 382e 3639 2034 3430 1.96,-448.69 440\n+00005a60: 2e38 312c 2d33 3432 2e33 3820 3635 332e .81,-342.38 653.\n+00005a70: 3536 2c2d 3236 372e 3438 2037 3631 2e38 56,-267.48 761.8\n+00005a80: 312c 2d32 3239 2e33 3720 3839 382e 3737 1,-229.37 898.77\n+00005a90: 2c2d 3232 312e 3039 2039 3634 2e36 362c ,-221.09 964.66,\n+00005aa0: 2d32 3139 2e34 222f 3e0a 3c70 6f6c 7967 -219.4\"/>.<polyg\n+00005ab0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n+00005ac0: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+00005ad0: 6622 2070 6f69 6e74 733d 2239 3635 2e30 f\" points=\"965.0\n+00005ae0: 362c 2d32 3232 2e38 3920 3937 342e 3939 6,-222.89 974.99\n+00005af0: 2c2d 3231 392e 3137 2039 3634 2e39 312c ,-219.17 964.91,\n+00005b00: 2d32 3135 2e38 3920 3936 352e 3036 2c2d -215.89 965.06,-\n+00005b10: 3232 322e 3839 222f 3e0a 3c2f 673e 0a3c 222.89\"/>.</g>.<\n+00005b20: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00005b30: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n+00005b40: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00005b50: 6772 6f6d 6163 735f 676d 786c 6962 202d gromacs_gmxlib -\n+00005b60: 2d3e 0a3c 6720 6964 3d22 6564 6765 3138 ->.<g id=\"edge18\n+00005b70: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+00005b80: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00005b90: 635f 6772 6f6d 6163 735f 746f 6f6c 7326 c_gromacs_tools&\n+00005ba0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00005bb0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n+00005bc0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b</title>.<path \n+00005bd0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n+00005be0: 6b65 3d22 2362 6662 6662 6622 2064 3d22 ke=\"#bfbfbf\" d=\"\n+00005bf0: 4d31 3231 392e 3033 2c2d 3130 3834 2e35 M1219.03,-1084.5\n+00005c00: 3943 3132 3031 2e39 372c 2d31 3033 372e 9C1201.97,-1037.\n+00005c10: 3031 2031 3134 312e 3432 2c2d 3836 382e 01 1141.42,-868.\n+00005c20: 3135 2031 3131 392e 3533 2c2d 3830 372e 15 1119.53,-807.\n+00005c30: 3122 2f3e 0a3c 706f 6c79 676f 6e20 6669 1\"/>.<polygon fi\n+00005c40: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+00005c50: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n+00005c60: 696e 7473 3d22 3131 3232 2e36 392c 2d38 ints=\"1122.69,-8\n+00005c70: 3035 2e35 3520 3131 3136 2e30 322c 2d37 05.55 1116.02,-7\n+00005c80: 3937 2e33 3220 3131 3136 2e31 2c2d 3830 97.32 1116.1,-80\n+00005c90: 372e 3932 2031 3132 322e 3639 2c2d 3830 7.92 1122.69,-80\n+00005ca0: 352e 3535 222f 3e0a 3c2f 673e 0a3c 212d 5.55\"/>.</g>.<!-\n+00005cb0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00005cc0: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26 macs_tools-&\n+00005cd0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00005ce0: 6f6d 6163 735f 6669 6c65 696f 202d 2d3e omacs_fileio -->\n+00005cf0: 0a3c 6720 6964 3d22 6564 6765 3131 2220 .<g id=\"edge11\" \n+00005d00: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00005d10: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00005d20: 6772 6f6d 6163 735f 746f 6f6c 7326 2334 gromacs_tools\n+00005d30: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00005d40: 5f67 726f 6d61 6373 5f66 696c 6569 6f3c _gromacs_fileio<\n+00005d50: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00005d60: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00005d70: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n+00005d80: 3235 302e 3539 2c2d 3130 3936 2e36 3943 250.59,-1096.69C\n+00005d90: 3134 3134 2e33 342c 2d31 3039 332e 3220 1414.34,-1093.2 \n+00005da0: 3232 3639 2e30 392c 2d31 3037 302e 3935 2269.09,-1070.95\n+00005db0: 2032 3334 332e 3536 2c2d 3938 352e 3932 2343.56,-985.92\n+00005dc0: 2032 3337 342e 3632 2c2d 3935 302e 3436 2374.62,-950.46\n+00005dd0: 2032 3339 302e 3339 2c2d 3932 302e 3537 2390.39,-920.57\n+00005de0: 2032 3231 352e 3536 2c2d 3737 302e 3434 2215.56,-770.44\n+00005df0: 2032 3132 372e 3039 2c2d 3639 342e 3437 2127.09,-694.47\n+00005e00: 2031 3938 342e 3937 2c2d 3636 392e 3931 1984.97,-669.91\n+00005e10: 2031 3931 382e 3331 2c2d 3636 322e 3333 1918.31,-662.33\n 00005e20: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-00005e30: 6c3d 2262 6c61 636b 2220 7374 726f 6b65 l=\"black\" stroke\n-00005e40: 3d22 626c 6163 6b22 2070 6f69 6e74 733d =\"black\" points=\n-00005e50: 2237 3831 2e37 2c2d 3130 3936 2e33 3420 \"781.7,-1096.34 \n-00005e60: 3739 312e 3936 2c2d 3130 3933 2e37 3220 791.96,-1093.72 \n-00005e70: 3738 322e 332c 2d31 3038 392e 3337 2037 782.3,-1089.37 7\n-00005e80: 3831 2e37 2c2d 3130 3936 2e33 3422 2f3e 81.7,-1096.34\"/>\n-00005e90: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-00005ea0: 655f 7372 635f 6772 6f6d 6163 735f 7075 e_src_gromacs_pu\n-00005eb0: 6c6c 696e 6726 2334 353b 2667 743b 6d6f lling->mo\n-00005ec0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00005ed0: 5f66 696c 6569 6f20 2d2d 3e0a 3c67 2069 _fileio -->.<g i\n-00005ee0: 643d 2265 6467 6531 3922 2063 6c61 7373 d=\"edge19\" class\n-00005ef0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n-00005f00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00005f10: 6373 5f70 756c 6c69 6e67 2623 3435 3b26 cs_pulling-&\n-00005f20: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00005f30: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio</ti\n-00005f40: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00005f50: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00005f60: 6266 6266 6266 2220 643d 224d 3335 362e bfbfbf\" d=\"M356.\n-00005f70: 3436 2c2d 3534 352e 3739 4333 3530 2e36 46,-545.79C350.6\n-00005f80: 352c 2d35 3732 2e32 3420 3334 312e 3236 5,-572.24 341.26\n-00005f90: 2c2d 3633 342e 3736 2033 3731 2e35 362c ,-634.76 371.56,\n-00005fa0: 2d36 3731 2e35 3720 3339 352e 3332 2c2d -671.57 395.32,-\n-00005fb0: 3730 302e 3432 2034 3230 2e34 352c 2d36 700.42 420.45,-6\n-00005fc0: 3831 2e38 3420 3434 372e 3536 2c2d 3730 81.84 447.56,-70\n-00005fd0: 372e 3537 2034 3938 2e35 322c 2d37 3535 7.57 498.52,-755\n-00005fe0: 2e39 3520 3533 382e 3936 2c2d 3934 372e .95 538.96,-947.\n-00005ff0: 3135 2035 3937 2e35 362c 2d39 3835 2e39 15 597.56,-985.9\n-00006000: 3220 3633 372e 3832 2c2d 3130 3132 2e35 2 637.82,-1012.5\n-00006010: 3620 3936 392e 3836 2c2d 3130 3238 2e33 6 969.86,-1028.3\n-00006020: 3120 3130 3832 2e34 312c 2d31 3033 322e 1 1082.41,-1032.\n-00006030: 3932 222f 3e0a 3c70 6f6c 7967 6f6e 2066 92\"/>.<polygon f\n-00006040: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n-00006050: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n-00006060: 6f69 6e74 733d 2231 3038 322e 3437 2c2d oints=\"1082.47,-\n-00006070: 3130 3336 2e34 3320 3130 3932 2e36 2c2d 1036.43 1092.6,-\n-00006080: 3130 3333 2e33 3420 3130 3832 2e37 352c 1033.34 1082.75,\n-00006090: 2d31 3032 392e 3434 2031 3038 322e 3437 -1029.44 1082.47\n-000060a0: 2c2d 3130 3336 2e34 3322 2f3e 0a3c 2f67 ,-1036.43\"/>.</g\n-000060b0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-000060c0: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n-000060d0: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465 -->.<g id=\"node\n-000060e0: 3231 2220 636c 6173 733d 226e 6f64 6522 21\" class=\"node\"\n-000060f0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00006100: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n-00006110: 6563 3c2f 7469 746c 653e 0a3c 6720 6964 ec</title>.<g id\n-00006120: 3d22 615f 6e6f 6465 3231 223e 3c61 2078 =\"a_node21\"><a x\n-00006130: 6c69 6e6b 3a68 7265 663d 2267 726f 7570 link:href=\"group\n-00006140: 5f5f 6d6f 6475 6c65 5f5f 646f 6d64 6563 __module__domdec\n-00006150: 2e78 6874 6d6c 2220 7461 7267 6574 3d22 .xhtml\" target=\"\n-00006160: 5f74 6f70 2220 786c 696e 6b3a 7469 746c _top\" xlink:titl\n-00006170: 653d 2264 6f6d 6465 6322 3e0a 3c65 6c6c e=\"domdec\">.<ell\n-00006180: 6970 7365 2066 696c 6c3d 2223 6535 6363 ipse fill=\"#e5cc\n-00006190: 6666 2220 7374 726f 6b65 3d22 626c 6163 ff\" stroke=\"blac\n-000061a0: 6b22 2063 783d 2231 3030 332e 3536 2220 k\" cx=\"1003.56\" \n-000061b0: 6379 3d22 2d36 3538 2e31 3422 2072 783d cy=\"-658.14\" rx=\n-000061c0: 2233 362e 3132 2220 7279 3d22 3133 2e33 \"36.12\" ry=\"13.3\n-000061d0: 3722 2f3e 0a3c 7465 7874 2074 6578 742d 7\"/>.<text text-\n-000061e0: 616e 6368 6f72 3d22 6d69 6464 6c65 2220 anchor=\"middle\" \n-000061f0: 783d 2231 3030 332e 3536 2220 793d 222d x=\"1003.56\" y=\"-\n-00006200: 3635 352e 3634 2220 666f 6e74 2d66 616d 655.64\" font-fam\n-00006210: 696c 793d 2246 7265 6553 616e 7322 2066 ily=\"FreeSans\" f\n-00006220: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022 ont-size=\"10.00\"\n-00006230: 3e64 6f6d 6465 633c 2f74 6578 743e 0a3c >domdec</text>.<\n-00006240: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 /a>.</g>.</g>.<!\n-00006250: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-00006260: 6f6d 6163 735f 7075 6c6c 696e 6726 2334 omacs_pulling\n-00006270: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00006280: 5f67 726f 6d61 6373 5f64 6f6d 6465 6320 _gromacs_domdec \n-00006290: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-000062a0: 3522 2063 6c61 7373 3d22 6564 6765 223e 5\" class=\"edge\">\n-000062b0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-000062c0: 7263 5f67 726f 6d61 6373 5f70 756c 6c69 rc_gromacs_pulli\n-000062d0: 6e67 2623 3435 3b26 6774 3b6d 6f64 756c ng->modul\n-000062e0: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n-000062f0: 6d64 6563 3c2f 7469 746c 653e 0a3c 7061 mdec</title>.<pa\n-00006300: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n-00006310: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n-00006320: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n-00006330: 3d22 352c 3222 2064 3d22 4d33 3832 2e31 =\"5,2\" d=\"M382.1\n-00006340: 372c 2d35 3431 2e38 3343 3432 342e 3936 7,-541.83C424.96\n-00006350: 2c2d 3535 372e 3436 2035 3230 2e39 392c ,-557.46 520.99,\n-00006360: 2d35 3930 2e39 3320 3630 342e 3536 2c2d -590.93 604.56,-\n-00006370: 3630 382e 3720 3733 302e 3933 2c2d 3633 608.7 730.93,-63\n-00006380: 352e 3537 2038 3833 2e32 312c 2d36 3438 5.57 883.21,-648\n-00006390: 2e39 3120 3935 372e 3832 2c2d 3635 342e .91 957.82,-654.\n-000063a0: 3233 222f 3e0a 3c70 6f6c 7967 6f6e 2066 23\"/>.<polygon f\n-000063b0: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n-000063c0: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n-000063d0: 6f69 6e74 733d 2239 3538 2e30 342c 2d36 oints=\"958.04,-6\n-000063e0: 3537 2e37 3620 3936 382e 3236 2c2d 3635 57.76 968.26,-65\n-000063f0: 342e 3936 2039 3538 2e35 322c 2d36 3530 4.96 958.52,-650\n-00006400: 2e37 3720 3935 382e 3034 2c2d 3635 372e .77 958.04,-657.\n-00006410: 3736 222f 3e0a 3c2f 673e 0a3c 212d 2d20 76\"/>.</g>.<!-- \n-00006420: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00006430: 6373 5f70 756c 6c69 6e67 2623 3435 3b26 cs_pulling-&\n-00006440: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00006450: 6f6d 6163 735f 676d 786c 6962 202d 2d3e omacs_gmxlib -->\n-00006460: 0a3c 6720 6964 3d22 6564 6765 3136 2220 .<g id=\"edge16\" \n-00006470: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-00006480: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-00006490: 6772 6f6d 6163 735f 7075 6c6c 696e 6726 gromacs_pulling&\n-000064a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000064b0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-000064c0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b</title>.<path \n-000064d0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" 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0.89,-170.88\"/>.\n+000060f0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00006100: 5f73 7263 5f67 726f 6d61 6373 5f72 616e _src_gromacs_ran\n+00006110: 646f 6d20 2d2d 3e0a 3c67 2069 643d 226e dom -->.<g id=\"n\n+00006120: 6f64 6534 3822 2063 6c61 7373 3d22 6e6f ode48\" class=\"no\n+00006130: 6465 223e 0a3c 7469 746c 653e 6d6f 6475 de\">.<title>modu\n+00006140: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72 le_src_gromacs_r\n+00006150: 616e 646f 6d3c 2f74 6974 6c65 3e0a 3c67 andom</title>.<g\n+00006160: 2069 643d 2261 5f6e 6f64 6534 3822 3e3c id=\"a_node48\"><\n+00006170: 6120 786c 696e 6b3a 6872 6566 3d22 6772 a xlink:href=\"gr\n+00006180: 6f75 705f 5f6d 6f64 756c 655f 5f72 616e oup__module__ran\n+00006190: 646f 6d2e 7868 746d 6c22 2074 6172 6765 dom.xhtml\" targe\n+000061a0: 743d 225f 746f 7022 2078 6c69 6e6b 3a74 t=\"_top\" xlink:t\n+000061b0: 6974 6c65 3d22 7261 6e64 6f6d 223e 0a3c itle=\"random\">.<\n+000061c0: 656c 6c69 7073 6520 6669 6c6c 3d22 2366 ellipse fill=\"#f\n+000061d0: 6665 3463 6322 2073 7472 6f6b 653d 2262 fe4cc\" stroke=\"b\n+000061e0: 6c61 636b 2220 6378 3d22 3139 3739 2e35 lack\" cx=\"1979.5\n+000061f0: 3622 2063 793d 222d 3135 352e 3138 2220 6\" cy=\"-155.18\" \n+00006200: 7278 3d22 3334 2e38 2220 7279 3d22 3133 rx=\"34.8\" ry=\"13\n+00006210: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578 .37\"/>.<text tex\n+00006220: 742d 616e 6368 6f72 3d22 6d69 6464 6c65 t-anchor=\"middle\n+00006230: 2220 783d 2231 3937 392e 3536 2220 793d \" x=\"1979.56\" y=\n+00006240: 222d 3135 322e 3638 2220 666f 6e74 2d66 \"-152.68\" font-f\n+00006250: 616d 696c 793d 2246 7265 6553 616e 7322 amily=\"FreeSans\"\n+00006260: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30 font-size=\"10.0\n+00006270: 3022 3e72 616e 646f 6d3c 2f74 6578 743e 0\">random</text>\n+00006280: 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a .</a>.</g>.</g>.\n+00006290: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+000062a0: 6772 6f6d 6163 735f 746f 6f6c 7326 2334 gromacs_tools\n+000062b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000062c0: 5f67 726f 6d61 6373 5f72 616e 646f 6d20 _gromacs_random \n+000062d0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+000062e0: 3922 2063 6c61 7373 3d22 6564 6765 223e 9\" class=\"edge\">\n+000062f0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00006300: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73 rc_gromacs_tools\n+00006310: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00006320: 7372 635f 6772 6f6d 6163 735f 7261 6e64 src_gromacs_rand\n+00006330: 6f6d 3c2f 7469 746c 653e 0a3c 7061 7468 om</title>.<path\n+00006340: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n+00006350: 6f6b 653d 2262 6c61 636b 2220 7374 726f oke=\"black\" stro\n+00006360: 6b65 2d64 6173 6861 7272 6179 3d22 352c ke-dasharray=\"5,\n+00006370: 3222 2064 3d22 4d31 3235 302e 3537 2c2d 2\" d=\"M1250.57,-\n+00006380: 3130 3937 2e32 3443 3134 3233 2e39 382c 1097.24C1423.98,\n+00006390: 2d31 3039 362e 3939 2032 3337 332e 3536 -1096.99 2373.56\n+000063a0: 2c2d 3130 3930 2e32 3720 3233 3733 2e35 ,-1090.27 2373.5\n+000063b0: 362c 2d39 3733 2e34 3920 3233 3733 2e35 6,-973.49 2373.5\n+000063c0: 362c 2d39 3733 2e34 3920 3233 3733 2e35 6,-973.49 2373.5\n+000063d0: 362c 2d39 3733 2e34 3920 3233 3733 2e35 6,-973.49 2373.5\n+000063e0: 362c 2d37 3832 2e38 3820 3233 3733 2e35 6,-782.88 2373.5\n+000063f0: 362c 2d35 3836 2e33 3520 3233 3133 2e35 6,-586.35 2313.5\n+00006400: 362c 2d35 3431 2e33 3120 3233 3133 2e35 6,-541.31 2313.5\n+00006410: 362c 2d33 3434 2e37 3920 3233 3133 2e35 6,-344.79 2313.5\n+00006420: 362c 2d33 3434 2e37 3920 3233 3133 2e35 6,-344.79 2313.5\n+00006430: 362c 2d33 3434 2e37 3920 3233 3133 2e35 6,-344.79 2313.5\n+00006440: 362c 2d32 3739 2e39 3220 3233 3133 2e35 6,-279.92 2313.5\n+00006450: 362c 2d32 3235 2e36 3920 3232 3636 2e37 6,-225.69 2266.7\n+00006460: 382c 2d32 3237 2e33 3620 3232 3137 2e35 8,-227.36 2217.5\n+00006470: 362c 2d32 3034 2e36 3120 3231 3533 2e39 6,-204.61 2153.9\n+00006480: 352c 2d31 3735 2e32 3120 3230 3732 2e36 5,-175.21 2072.6\n+00006490: 342c 2d31 3633 2e35 3720 3230 3233 2e34 4,-163.57 2023.4\n+000064a0: 312c 2d31 3539 2e30 3222 2f3e 0a3c 706f 1,-159.02\"/>.<po\n+000064b0: 6c79 676f 6e20 6669 6c6c 3d22 626c 6163 lygon fill=\"blac\n+000064c0: 6b22 2073 7472 6f6b 653d 2262 6c61 636b k\" stroke=\"black\n+000064d0: 2220 706f 696e 7473 3d22 3230 3233 2e36 \" points=\"2023.6\n+000064e0: 372c 2d31 3535 2e35 3320 3230 3133 2e34 7,-155.53 2013.4\n+000064f0: 312c 2d31 3538 2e31 3520 3230 3233 2e30 1,-158.15 2023.0\n+00006500: 372c 2d31 3632 2e35 2032 3032 332e 3637 7,-162.5 2023.67\n+00006510: 2c2d 3135 352e 3533 222f 3e0a 3c2f 673e ,-155.53\"/>.</g>\n+00006520: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00006530: 5f67 726f 6d61 6373 5f72 6573 7472 6169 _gromacs_restrai\n+00006540: 6e74 202d 2d3e 0a3c 6720 6964 3d22 6e6f nt -->.<g id=\"no\n+00006550: 6465 3522 2063 6c61 7373 3d22 6e6f 6465 de5\" class=\"node\n+00006560: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00006570: 5f73 7263 5f67 726f 6d61 6373 5f72 6573 _src_gromacs_res\n+00006580: 7472 6169 6e74 3c2f 7469 746c 653e 0a3c traint</title>.<\n+00006590: 6720 6964 3d22 615f 6e6f 6465 3522 3e3c g id=\"a_node5\"><\n+000065a0: 6120 786c 696e 6b3a 6872 6566 3d22 6772 a xlink:href=\"gr\n+000065b0: 6f75 705f 5f6d 6f64 756c 655f 5f72 6573 oup__module__res\n+000065c0: 7472 6169 6e74 2e78 6874 6d6c 2220 7461 traint.xhtml\" ta\n+000065d0: 7267 6574 3d22 5f74 6f70 2220 786c 696e rget=\"_top\" xlin\n+000065e0: 6b3a 7469 746c 653d 2272 6573 7472 6169 k:title=\"restrai\n+000065f0: 6e74 223e 0a3c 656c 6c69 7073 6520 6669 nt\">.<ellipse fi\n+00006600: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00006610: 3d22 626c 6163 6b22 2063 783d 2239 3335 =\"black\" cx=\"935\n+00006620: 2e35 3622 2063 793d 222d 3430 362e 3636 .56\" cy=\"-406.66\n+00006630: 2220 7278 3d22 3336 2e35 3422 2072 793d \" rx=\"36.54\" ry=\n+00006640: 2231 332e 3337 222f 3e0a 3c74 6578 7420 \"13.37\"/>.<text \n+00006650: 7465 7874 2d61 6e63 686f 723d 226d 6964 text-anchor=\"mid\n+00006660: 646c 6522 2078 3d22 3933 352e 3536 2220 dle\" x=\"935.56\" \n+00006670: 793d 222d 3430 342e 3136 2220 666f 6e74 y=\"-404.16\" font\n+00006680: 2d66 616d 696c 793d 2246 7265 6553 616e -family=\"FreeSan\n+00006690: 7322 2066 6f6e 742d 7369 7a65 3d22 3130 s\" font-size=\"10\n+000066a0: 2e30 3022 3e72 6573 7472 6169 6e74 3c2f .00\">restraint</\n+000066b0: 7465 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a text>.</a>.</g>.\n+000066c0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+000066d0: 5f73 7263 5f67 726f 6d61 6373 5f72 6573 _src_gromacs_res\n+000066e0: 7472 6169 6e74 2623 3435 3b26 6774 3b6d traint->m\n+000066f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00006700: 735f 6d64 7479 7065 7320 2d2d 3e0a 3c67 s_mdtypes -->.<g\n+00006710: 2069 643d 2265 6467 6532 3422 2063 6c61 id=\"edge24\" cla\n+00006720: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+00006730: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+00006740: 6d61 6373 5f72 6573 7472 6169 6e74 2623 macs_restraint&#\n+00006750: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00006760: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+00006770: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s</title>.<path \n+00006780: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n+00006790: 6b65 3d22 2362 6662 6662 6622 2064 3d22 ke=\"#bfbfbf\" d=\"\n+000067a0: 4d39 3234 2e36 372c 2d34 3139 2e37 3143 M924.67,-419.71C\n+000067b0: 3839 342e 3331 2c2d 3435 332e 3337 2038 894.31,-453.37 8\n+000067c0: 3039 2e33 362c 2d35 3438 2e31 3620 3738 09.36,-548.16 78\n+000067d0: 342e 3536 2c2d 3538 312e 3833 2037 3635 4.56,-581.83 765\n+000067e0: 2e30 362c 2d36 3038 2e33 3120 3735 382e .06,-608.31 758.\n+000067f0: 3433 2c2d 3631 342e 3434 2037 3435 2e35 43,-614.44 745.5\n+00006800: 362c 2d36 3434 2e37 2037 3334 2e32 372c 6,-644.7 734.27,\n+00006810: 2d36 3731 2e32 3320 3733 332e 3134 2c2d -671.23 733.14,-\n+00006820: 3637 382e 3936 2037 3239 2e35 362c 2d37 678.96 729.56,-7\n+00006830: 3037 2e35 3720 3732 302e 392c 2d37 3736 07.57 720.9,-776\n+00006840: 2e37 3220 3731 332e 3735 2c2d 3831 332e .72 713.75,-813.\n+00006850: 3537 2037 3635 2e35 362c 2d38 3630 2e31 57 765.56,-860.1\n+00006860: 3820 3738 372e 3939 2c2d 3838 302e 3337 8 787.99,-880.37\n+00006870: 2038 3139 2e38 362c 2d38 3932 2e36 3320 819.86,-892.63 \n+00006880: 3834 352e 342c 2d38 3939 2e37 3622 2f3e 845.4,-899.76\"/>\n+00006890: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+000068a0: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n+000068b0: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n+000068c0: 3d22 3834 342e 3634 2c2d 3930 332e 3138 =\"844.64,-903.18\n+000068d0: 2038 3535 2e32 2c2d 3930 322e 3334 2038 855.2,-902.34 8\n+000068e0: 3436 2e34 322c 2d38 3936 2e34 3120 3834 46.42,-896.41 84\n+000068f0: 342e 3634 2c2d 3930 332e 3138 222f 3e0a 4.64,-903.18\"/>.\n+00006900: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00006910: 5f73 7263 5f67 726f 6d61 6373 5f72 6573 _src_gromacs_res\n+00006920: 7472 6169 6e74 2623 3435 3b26 6774 3b6d traint->m\n+00006930: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00006940: 735f 646f 6d64 6563 202d 2d3e 0a3c 6720 s_domdec -->.<g \n+00006950: 6964 3d22 6564 6765 3232 2220 636c 6173 id=\"edge22\" clas\n+00006960: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00006970: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00006980: 6163 735f 7265 7374 7261 696e 7426 2334 acs_restraint\n+00006990: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000069a0: 5f67 726f 6d61 6373 5f64 6f6d 6465 633c _gromacs_domdec<\n+000069b0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+000069c0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+000069d0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+000069e0: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+000069f0: 2220 643d 224d 3934 362e 3631 2c2d 3339 \" d=\"M946.61,-39\n+00006a00: 332e 3631 4339 3534 2e38 322c 2d33 3834 3.61C954.82,-384\n+00006a10: 2e32 3220 3936 352e 3838 2c2d 3337 302e .22 965.88,-370.\n+00006a20: 3536 2039 3733 2e35 362c 2d33 3537 2e32 56 973.56,-357.2\n+00006a30: 3220 3938 332e 3331 2c2d 3334 302e 3237 2 983.31,-340.27\n+00006a40: 2039 3931 2e33 322c 2d33 3139 2e35 3420 991.32,-319.54 \n+00006a50: 3939 362e 362c 2d33 3034 2e31 3222 2f3e 996.6,-304.12\"/>\n+00006a60: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+00006a70: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n+00006a80: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n+00006a90: 3d22 3939 392e 3939 2c2d 3330 3520 3939 =\"999.99,-305 99\n+00006aa0: 392e 382c 2d32 3934 2e34 3120 3939 332e 9.8,-294.41 993.\n+00006ab0: 3334 2c2d 3330 322e 3831 2039 3939 2e39 34,-302.81 999.9\n+00006ac0: 392c 2d33 3035 222f 3e0a 3c2f 673e 0a3c 9,-305\"/>.</g>.<\n+00006ad0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00006ae0: 726f 6d61 6373 5f72 6573 7472 6169 6e74 romacs_restraint\n+00006af0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00006b00: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+00006b10: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564 ib -->.<g id=\"ed\n+00006b20: 6765 3233 2220 636c 6173 733d 2265 6467 ge23\" class=\"edg\n+00006b30: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00006b40: 655f 7372 635f 6772 6f6d 6163 735f 7265 e_src_gromacs_re\n+00006b50: 7374 7261 696e 7426 2334 353b 2667 743b straint->\n+00006b60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00006b70: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65 cs_gmxlib</title\n+00006b80: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00006b90: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00006ba0: 6662 6622 2064 3d22 4d39 3339 2e38 382c fbf\" d=\"M939.88,\n+00006bb0: 2d34 3230 2e32 3943 3935 352e 3333 2c2d -420.29C955.33,-\n+00006bc0: 3436 342e 3832 2031 3031 302e 3439 2c2d 464.82 1010.49,-\n+00006bd0: 3631 382e 3132 2031 3037 362e 3536 2c2d 618.12 1076.56,-\n+00006be0: 3733 342e 3434 2031 3038 322e 3131 2c2d 734.44 1082.11,-\n+00006bf0: 3734 342e 3232 2031 3038 392e 3233 2c2d 744.22 1089.23,-\n+00006c00: 3735 342e 3339 2031 3039 352e 362c 2d37 754.39 1095.6,-7\n+00006c10: 3632 2e38 3822 2f3e 0a3c 706f 6c79 676f 62.88\"/>.<polygo\n+00006c20: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+00006c30: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00006c40: 2220 706f 696e 7473 3d22 3130 3933 2c2d \" points=\"1093,-\n+00006c50: 3736 352e 3234 2031 3130 312e 3837 2c2d 765.24 1101.87,-\n+00006c60: 3737 312e 3033 2031 3039 382e 3535 2c2d 771.03 1098.55,-\n+00006c70: 3736 302e 3937 2031 3039 332c 2d37 3635 760.97 1093,-765\n+00006c80: 2e32 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d .24\"/>.</g>.<!--\n+00006c90: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+00006ca0: 6163 735f 6c69 6e65 6172 616c 6765 6272 acs_linearalgebr\n+00006cb0: 6120 2d2d 3e0a 3c67 2069 643d 226e 6f64 a -->.<g id=\"nod\n+00006cc0: 6536 2220 636c 6173 733d 226e 6f64 6522 e6\" class=\"node\"\n+00006cd0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00006ce0: 7372 635f 6772 6f6d 6163 735f 6c69 6e65 src_gromacs_line\n+00006cf0: 6172 616c 6765 6272 613c 2f74 6974 6c65 aralgebra</title\n+00006d00: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d >.<ellipse fill=\n+00006d10: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n+00006d20: 3d22 626c 6163 6b22 2063 783d 2233 3833 =\"black\" cx=\"383\n+00006d30: 2e35 3622 2063 793d 222d 3130 3938 2e32 .56\" cy=\"-1098.2\n+00006d40: 3322 2072 783d 2235 302e 3431 2220 7279 3\" rx=\"50.41\" ry\n+00006d50: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874 =\"13.37\"/>.<text\n+00006d60: 2074 6578 742d 616e 6368 6f72 3d22 6d69 text-anchor=\"mi\n+00006d70: 6464 6c65 2220 783d 2233 3833 2e35 3622 ddle\" x=\"383.56\"\n+00006d80: 2079 3d22 2d31 3039 352e 3733 2220 666f y=\"-1095.73\" fo\n+00006d90: 6e74 2d66 616d 696c 793d 2246 7265 6553 nt-family=\"FreeS\n+00006da0: 616e 7322 2066 6f6e 742d 7369 7a65 3d22 ans\" font-size=\"\n+00006db0: 3130 2e30 3022 3e6c 696e 6561 7261 6c67 10.00\">linearalg\n+00006dc0: 6562 7261 3c2f 7465 7874 3e0a 3c2f 673e ebra</text>.</g>\n+00006dd0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00006de0: 5f67 726f 6d61 6373 5f67 6d78 616e 6126 _gromacs_gmxana&\n+00006df0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00006e00: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61 rc_gromacs_comma\n+00006e10: 6e64 6c69 6e65 202d 2d3e 0a3c 6720 6964 ndline -->.<g id\n+00006e20: 3d22 6564 6765 3235 2220 636c 6173 733d =\"edge25\" class=\n+00006e30: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+00006e40: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00006e50: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n+00006e60: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00006e70: 6163 735f 636f 6d6d 616e 646c 696e 653c acs_commandline<\n+00006e80: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00006e90: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00006ea0: 3d22 626c 6163 6b22 2073 7472 6f6b 652d =\"black\" stroke-\n+00006eb0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00006ec0: 643d 224d 3139 3338 2e32 352c 2d39 3539 d=\"M1938.25,-959\n+00006ed0: 2e39 3843 3138 3939 2e36 2c2d 3932 382e .98C1899.6,-928.\n+00006ee0: 3937 2031 3738 392e 3733 2c2d 3834 312e 97 1789.73,-841.\n+00006ef0: 3138 2031 3639 362e 3536 2c2d 3737 302e 18 1696.56,-770.\n+00006f00: 3434 2031 3638 322e 3935 2c2d 3736 302e 44 1682.95,-760.\n+00006f10: 3131 2031 3636 372e 3536 2c2d 3734 382e 11 1667.56,-748.\n+00006f20: 3739 2031 3635 352e 3037 2c2d 3733 392e 79 1655.07,-739.\n+00006f30: 3722 2f3e 0a3c 706f 6c79 676f 6e20 6669 7\"/>.<polygon fi\n+00006f40: 6c6c 3d22 626c 6163 6b22 2073 7472 6f6b ll=\"black\" strok\n+00006f50: 653d 2262 6c61 636b 2220 706f 696e 7473 e=\"black\" points\n+00006f60: 3d22 3136 3537 2e30 392c 2d37 3336 2e38 =\"1657.09,-736.8\n+00006f70: 3420 3136 3436 2e39 342c 2d37 3333 2e38 4 1646.94,-733.8\n+00006f80: 2031 3635 322e 3938 2c2d 3734 322e 3531 1652.98,-742.51\n+00006f90: 2031 3635 372e 3039 2c2d 3733 362e 3834 1657.09,-736.84\n+00006fa0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+00006fb0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00006fc0: 5f67 6d78 616e 6126 2334 353b 2667 743b _gmxana->\n+00006fd0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00006fe0: 6373 5f6d 6474 7970 6573 202d 2d3e 0a3c cs_mdtypes -->.<\n+00006ff0: 6720 6964 3d22 6564 6765 3239 2220 636c g id=\"edge29\" cl\n+00007000: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00007010: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00007020: 6f6d 6163 735f 676d 7861 6e61 2623 3435 omacs_gmxana-\n+00007030: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00007040: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n+00007050: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00007060: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00007070: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n+00007080: 3931 382e 3033 2c2d 3936 392e 3531 4331 918.03,-969.51C1\n+00007090: 3736 312e 322c 2d39 3630 2e35 3520 3131 761.2,-960.55 11\n+000070a0: 3135 2e38 2c2d 3932 332e 3636 2039 3334 15.8,-923.66 934\n+000070b0: 2e38 392c 2d39 3133 2e33 3222 2f3e 0a3c .89,-913.32\"/>.<\n+000070c0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+000070d0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+000070e0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+000070f0: 3933 352e 3037 2c2d 3930 392e 3833 2039 935.07,-909.83 9\n+00007100: 3234 2e38 392c 2d39 3132 2e37 3520 3933 24.89,-912.75 93\n+00007110: 342e 3637 2c2d 3931 362e 3831 2039 3335 4.67,-916.81 935\n+00007120: 2e30 372c 2d39 3039 2e38 3322 2f3e 0a3c .07,-909.83\"/>.<\n+00007130: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+00007140: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n+00007150: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c na->modul\n+00007160: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n+00007170: 7374 6564 5f66 6f72 6365 7320 2d2d 3e0a sted_forces -->.\n+00007180: 3c67 2069 643d 2265 6467 6533 3322 2063 <g id=\"edge33\" c\n+00007190: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+000071a0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+000071b0: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n+000071c0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000071d0: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n+000071e0: 666f 7263 6573 3c2f 7469 746c 653e 0a3c forces</title>.<\n+000071f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00007200: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00007210: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00007220: 6179 3d22 352c 3222 2064 3d22 4d31 3934 ay=\"5,2\" d=\"M194\n+00007230: 312e 3632 2c2d 3935 392e 3338 4331 3933 1.62,-959.38C193\n+00007240: 342e 3037 2c2d 3935 302e 3136 2031 3932 4.07,-950.16 192\n+00007250: 342e 3638 2c2d 3933 362e 3736 2031 3932 4.68,-936.76 192\n+00007260: 302e 3536 2c2d 3932 332e 3035 2031 3930 0.56,-923.05 190\n+00007270: 382e 3932 2c2d 3838 342e 3332 2031 3930 8.92,-884.32 190\n+00007280: 382e 3535 2c2d 3836 332e 3431 2031 3933 8.55,-863.41 193\n+00007290: 352e 3536 2c2d 3833 332e 3331 2031 3936 5.56,-833.31 196\n+000072a0: 372e 3339 2c2d 3739 372e 3834 2031 3939 7.39,-797.84 199\n+000072b0: 362e 3137 2c2d 3832 322e 3620 3230 3336 6.17,-822.6 2036\n+000072c0: 2e35 362c 2d37 3937 2e33 3120 3231 3131 .56,-797.31 2111\n+000072d0: 2e35 392c 2d37 3530 2e33 3320 3231 3738 .59,-750.33 2178\n+000072e0: 2e37 372c 2d37 3332 2e30 3820 3231 3634 .77,-732.08 2164\n+000072f0: 2e35 362c 2d36 3434 2e37 2032 3133 312e .56,-644.7 2131.\n+00007300: 3732 2c2d 3434 322e 3732 2032 3038 372e 72,-442.72 2087.\n+00007310: 3739 2c2d 3335 302e 3037 2031 3930 302e 79,-350.07 1900.\n+00007320: 3536 2c2d 3236 372e 3438 2031 3638 302e 56,-267.48 1680.\n+00007330: 3836 2c2d 3137 302e 3537 2031 3036 342e 86,-170.57 1064.\n+00007340: 3136 2c2d 3138 342e 3433 2038 3234 2e35 16,-184.43 824.5\n+00007350: 362c 2d31 3638 2e36 3120 3739 332e 3437 6,-168.61 793.47\n+00007360: 2c2d 3136 362e 3536 2037 3538 2e38 322c ,-166.56 758.82,\n+00007370: 2d31 3633 2e37 3420 3733 302e 3537 2c2d -163.74 730.57,-\n+00007380: 3136 312e 3331 222f 3e0a 3c70 6f6c 7967 161.31\"/>.<polyg\n+00007390: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+000073a0: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+000073b0: 6322 2070 6f69 6e74 733d 2237 3330 2e37 c\" points=\"730.7\n+000073c0: 332c 2d31 3537 2e38 3120 3732 302e 3436 3,-157.81 720.46\n+000073d0: 2c2d 3136 302e 3433 2037 3330 2e31 322c ,-160.43 730.12,\n+000073e0: 2d31 3634 2e37 3820 3733 302e 3733 2c2d -164.78 730.73,-\n+000073f0: 3135 372e 3831 222f 3e0a 3c2f 673e 0a3c 157.81\"/>.</g>.<\n+00007400: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00007410: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n+00007420: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00007430: 5f67 726f 6d61 6373 5f66 6674 202d 2d3e _gromacs_fft -->\n+00007440: 0a3c 6720 6964 3d22 6564 6765 3335 2220 .<g id=\"edge35\" \n+00007450: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00007460: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00007470: 6772 6f6d 6163 735f 676d 7861 6e61 2623 gromacs_gmxana&#\n+00007480: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00007490: 635f 6772 6f6d 6163 735f 6666 743c 2f74 c_gromacs_fft</t\n+000074a0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+000074b0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+000074c0: 626c 6163 6b22 2073 7472 6f6b 652d 6461 black\" stroke-da\n+000074d0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+000074e0: 224d 3139 3837 2e39 322c 2d39 3731 2e31 \"M1987.92,-971.1\n+000074f0: 3843 3230 3237 2e35 352c 2d39 3638 2e39 8C2027.55,-968.9\n+00007500: 3520 3230 3931 2e33 352c 2d39 3539 2e34 5 2091.35,-959.4\n+00007510: 3220 3231 3330 2e35 362c 2d39 3233 2e30 2 2130.56,-923.0\n+00007520: 3520 3231 3633 2e34 372c 2d38 3932 2e35 5 2163.47,-892.5\n+00007530: 3320 3231 3734 2e32 392c 2d38 3338 2e34 3 2174.29,-838.4\n+00007540: 3920 3231 3737 2e38 342c 2d38 3037 2e38 9 2177.84,-807.8\n+00007550: 3222 2f3e 0a3c 706f 6c79 676f 6e20 6669 2\"/>.<polygon fi\n+00007560: 6c6c 3d22 626c 6163 6b22 2073 7472 6f6b ll=\"black\" strok\n+00007570: 653d 2262 6c61 636b 2220 706f 696e 7473 e=\"black\" points\n+00007580: 3d22 3231 3831 2e33 342c 2d38 3037 2e39 =\"2181.34,-807.9\n+00007590: 3620 3231 3738 2e38 342c 2d37 3937 2e36 6 2178.84,-797.6\n+000075a0: 3620 3231 3734 2e33 382c 2d38 3037 2e32 6 2174.38,-807.2\n+000075b0: 3720 3231 3831 2e33 342c 2d38 3037 2e39 7 2181.34,-807.9\n+000075c0: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6\"/>.</g>.<!-- m\n+000075d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000075e0: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n+000075f0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00007600: 6163 735f 6d64 7370 616e 202d 2d3e 0a3c acs_mdspan -->.<\n+00007610: 6720 6964 3d22 6564 6765 3337 2220 636c g id=\"edge37\" cl\n+00007620: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00007630: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00007640: 6f6d 6163 735f 676d 7861 6e61 2623 3435 omacs_gmxana-\n+00007650: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00007660: 6772 6f6d 6163 735f 6d64 7370 616e 3c2f gromacs_mdspan</\n+00007670: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00007680: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00007690: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+000076a0: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+000076b0: 2064 3d22 4d31 3938 372e 3837 2c2d 3937 d=\"M1987.87,-97\n+000076c0: 302e 3634 4332 3033 352e 3434 2c2d 3936 0.64C2035.44,-96\n+000076d0: 382e 3120 3231 3231 2e34 312c 2d39 3538 8.1 2121.41,-958\n+000076e0: 2e35 2032 3138 342e 3536 2c2d 3932 332e .5 2184.56,-923.\n+000076f0: 3035 2032 3333 302e 3837 2c2d 3834 302e 05 2330.87,-840.\n+00007700: 3933 2032 3337 332e 3536 2c2d 3736 342e 93 2373.56,-764.\n+00007710: 3035 2032 3337 332e 3536 2c2d 3539 362e 05 2373.56,-596.\n+00007720: 3237 2032 3337 332e 3536 2c2d 3539 362e 27 2373.56,-596.\n+00007730: 3237 2032 3337 332e 3536 2c2d 3539 362e 27 2373.56,-596.\n+00007740: 3237 2032 3337 332e 3536 2c2d 3533 312e 27 2373.56,-531.\n+00007750: 3420 3233 3733 2e35 362c 2d34 3437 2e39 4 2373.56,-447.9\n+00007760: 3820 3233 3933 2e35 362c 2d34 3238 2e32 8 2393.56,-428.2\n+00007770: 2032 3339 332e 3536 2c2d 3334 342e 3739 2393.56,-344.79\n+00007780: 2032 3339 332e 3536 2c2d 3334 342e 3739 2393.56,-344.79\n+00007790: 2032 3339 332e 3536 2c2d 3334 342e 3739 2393.56,-344.79\n+000077a0: 2032 3339 332e 3536 2c2d 3135 342e 3138 2393.56,-154.18\n+000077b0: 2032 3339 332e 3536 2c2d 3231 2e34 3420 2393.56,-21.44 \n+000077c0: 3232 3335 2e38 342c 2d39 382e 3437 2032 2235.84,-98.47 2\n+000077d0: 3130 342e 3536 2c2d 3738 2e38 3720 3138 104.56,-78.87 18\n+000077e0: 3832 2e36 332c 2d34 352e 3734 2031 3137 82.63,-45.74 117\n+000077f0: 322e 3232 2c2d 3333 2e36 3920 3938 332e 2.22,-33.69 983.\n+00007800: 382c 2d33 312e 3034 222f 3e0a 3c70 6f6c 8,-31.04\"/>.<pol\n+00007810: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n+00007820: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n+00007830: 6663 6322 2070 6f69 6e74 733d 2239 3833 fcc\" points=\"983\n+00007840: 2e37 332c 2d32 372e 3534 2039 3733 2e36 .73,-27.54 973.6\n+00007850: 382c 2d33 302e 3920 3938 332e 3633 2c2d 8,-30.9 983.63,-\n+00007860: 3334 2e35 3320 3938 332e 3733 2c2d 3237 34.53 983.73,-27\n+00007870: 2e35 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d .54\"/>.</g>.<!--\n+00007880: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+00007890: 6163 735f 7374 6174 6973 7469 6373 202d acs_statistics -\n+000078a0: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3334 ->.<g id=\"node34\n+000078b0: 2220 636c 6173 733d 226e 6f64 6522 3e0a \" class=\"node\">.\n+000078c0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+000078d0: 635f 6772 6f6d 6163 735f 7374 6174 6973 c_gromacs_statis\n+000078e0: 7469 6373 3c2f 7469 746c 653e 0a3c 656c tics</title>.<el\n+000078f0: 6c69 7073 6520 6669 6c6c 3d22 2362 6662 lipse fill=\"#bfb\n+00007900: 6662 6622 2073 7472 6f6b 653d 2262 6c61 fbf\" stroke=\"bla\n+00007910: 636b 2220 6378 3d22 3137 3430 2e35 3622 ck\" cx=\"1740.56\"\n+00007920: 2063 793d 222d 3732 312e 3031 2220 7278 cy=\"-721.01\" rx\n+00007930: 3d22 3339 2e37 2220 7279 3d22 3133 2e33 =\"39.7\" ry=\"13.3\n+00007940: 3722 2f3e 0a3c 7465 7874 2074 6578 742d 7\"/>.<text text-\n+00007950: 616e 6368 6f72 3d22 6d69 6464 6c65 2220 anchor=\"middle\" \n+00007960: 783d 2231 3734 302e 3536 2220 793d 222d x=\"1740.56\" y=\"-\n+00007970: 3731 382e 3531 2220 666f 6e74 2d66 616d 718.51\" font-fam\n+00007980: 696c 793d 2246 7265 6553 616e 7322 2066 ily=\"FreeSans\" f\n+00007990: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022 ont-size=\"10.00\"\n+000079a0: 3e73 7461 7469 7374 6963 733c 2f74 6578 >statistics</tex\n+000079b0: 743e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 t>.</g>.<!-- mod\n+000079c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000079d0: 676d 7861 6e61 2623 3435 3b26 6774 3b6d gmxana->m\n+000079e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000079f0: 735f 7374 6174 6973 7469 6373 202d 2d3e s_statistics -->\n+00007a00: 0a3c 6720 6964 3d22 6564 6765 3238 2220 .<g id=\"edge28\" \n+00007a10: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00007a20: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00007a30: 6772 6f6d 6163 735f 676d 7861 6e61 2623 gromacs_gmxana&#\n+00007a40: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00007a50: 635f 6772 6f6d 6163 735f 7374 6174 6973 c_gromacs_statis\n+00007a60: 7469 6373 3c2f 7469 746c 653e 0a3c 7061 tics</title>.<pa\n+00007a70: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n+00007a80: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+00007a90: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+00007aa0: 3d22 352c 3222 2064 3d22 4d31 3935 312e =\"5,2\" d=\"M1951.\n+00007ab0: 3538 2c2d 3935 382e 3735 4331 3934 382e 58,-958.75C1948.\n+00007ac0: 3939 2c2d 3933 322e 3734 2031 3934 302e 99,-932.74 1940.\n+00007ad0: 3033 2c2d 3837 322e 3633 2031 3931 302e 03,-872.63 1910.\n+00007ae0: 3536 2c2d 3833 332e 3331 2031 3931 302e 56,-833.31 1910.\n+00007af0: 3536 2c2d 3833 332e 3331 2031 3831 332e 56,-833.31 1813.\n+00007b00: 3838 2c2d 3737 302e 3031 2031 3736 362e 88,-770.01 1766.\n+00007b10: 3334 2c2d 3733 382e 3838 222f 3e0a 3c70 34,-738.88\"/>.<p\n+00007b20: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n+00007b30: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n+00007b40: 3832 6663 6322 2070 6f69 6e74 733d 2231 82fcc\" points=\"1\n+00007b50: 3736 382e 3038 2c2d 3733 352e 3834 2031 768.08,-735.84 1\n+00007b60: 3735 372e 382c 2d37 3333 2e32 3920 3137 757.8,-733.29 17\n+00007b70: 3634 2e32 352c 2d37 3431 2e37 2031 3736 64.25,-741.7 176\n+00007b80: 382e 3038 2c2d 3733 352e 3834 222f 3e0a 8.08,-735.84\"/>.\n+00007b90: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00007ba0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00007bb0: 616e 6126 2334 353b 2667 743b 6d6f 6475 ana->modu\n+00007bc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00007bd0: 646c 6962 202d 2d3e 0a3c 6720 6964 3d22 dlib -->.<g id=\"\n+00007be0: 6564 6765 3334 2220 636c 6173 733d 2265 edge34\" class=\"e\n+00007bf0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00007c00: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00007c10: 676d 7861 6e61 2623 3435 3b26 6774 3b6d gmxana->m\n 00007c20: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00007c30: 735f 7377 6170 3c2f 7469 746c 653e 0a3c s_swap</title>.<\n-00007c40: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00007c50: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00007c60: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-00007c70: 6179 3d22 352c 3222 2064 3d22 4d31 3330 ay=\"5,2\" d=\"M130\n-00007c80: 382e 3937 2c2d 3539 322e 3136 4331 3232 8.97,-592.16C122\n-00007c90: 332e 3036 2c2d 3538 362e 3134 2039 3732 3.06,-586.14 972\n-00007ca0: 2e32 372c 2d35 3637 2e38 3820 3736 342e .27,-567.88 764.\n-00007cb0: 3536 2c2d 3534 352e 3833 2037 3434 2e32 56,-545.83 744.2\n-00007cc0: 382c 2d35 3433 2e36 3820 3732 312e 3638 8,-543.68 721.68\n-00007cd0: 2c2d 3534 302e 3831 2037 3033 2e34 2c2d ,-540.81 703.4,-\n-00007ce0: 3533 382e 3337 222f 3e0a 3c70 6f6c 7967 538.37\"/>.<polyg\n-00007cf0: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n-00007d00: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n-00007d10: 6322 2070 6f69 6e74 733d 2237 3033 2e38 c\" points=\"703.8\n-00007d20: 342c 2d35 3334 2e39 2036 3933 2e34 362c 4,-534.9 693.46,\n-00007d30: 2d35 3337 2e30 3320 3730 322e 392c 2d35 -537.03 702.9,-5\n-00007d40: 3431 2e38 3320 3730 332e 3834 2c2d 3533 41.83 703.84,-53\n-00007d50: 342e 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d 4.9\"/>.</g>.<!--\n-00007d60: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-00007d70: 6163 735f 6573 7365 6e74 6961 6c64 796e acs_essentialdyn\n-00007d80: 616d 6963 7320 2d2d 3e0a 3c67 2069 643d amics -->.<g id=\n-00007d90: 226e 6f64 6531 3922 2063 6c61 7373 3d22 \"node19\" class=\"\n-00007da0: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f node\">.<title>mo\n-00007db0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00007dc0: 5f65 7373 656e 7469 616c 6479 6e61 6d69 _essentialdynami\n-00007dd0: 6373 3c2f 7469 746c 653e 0a3c 656c 6c69 cs</title>.<elli\n-00007de0: 7073 6520 6669 6c6c 3d22 2362 6662 6662 pse fill=\"#bfbfb\n-00007df0: 6622 2073 7472 6f6b 653d 2262 6c61 636b f\" stroke=\"black\n-00007e00: 2220 6378 3d22 3439 332e 3536 2220 6379 \" cx=\"493.56\" cy\n-00007e10: 3d22 2d34 3639 2e35 3322 2072 783d 2236 =\"-469.53\" rx=\"6\n-00007e20: 392e 3039 2220 7279 3d22 3133 2e33 3722 9.09\" ry=\"13.37\"\n-00007e30: 2f3e 0a3c 7465 7874 2074 6578 742d 616e />.<text text-an\n-00007e40: 6368 6f72 3d22 6d69 6464 6c65 2220 783d chor=\"middle\" x=\n-00007e50: 2234 3933 2e35 3622 2079 3d22 2d34 3637 \"493.56\" y=\"-467\n-00007e60: 2e30 3322 2066 6f6e 742d 6661 6d69 6c79 .03\" font-family\n-00007e70: 3d22 4672 6565 5361 6e73 2220 666f 6e74 =\"FreeSans\" font\n-00007e80: 2d73 697a 653d 2231 302e 3030 223e 6573 -size=\"10.00\">es\n-00007e90: 7365 6e74 6961 6c64 796e 616d 6963 733c sentialdynamics<\n-00007ea0: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d /text>.</g>.<!--\n-00007eb0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-00007ec0: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n-00007ed0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00007ee0: 6d61 6373 5f65 7373 656e 7469 616c 6479 macs_essentialdy\n-00007ef0: 6e61 6d69 6373 202d 2d3e 0a3c 6720 6964 namics -->.<g id\n-00007f00: 3d22 6564 6765 3236 2220 636c 6173 733d =\"edge26\" class=\n-00007f10: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-00007f20: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00007f30: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n-00007f40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00007f50: 6373 5f65 7373 656e 7469 616c 6479 6e61 cs_essentialdyna\n-00007f60: 6d69 6373 3c2f 7469 746c 653e 0a3c 7061 mics</title>.<pa\n-00007f70: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n-00007f80: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n-00007f90: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n-00007fa0: 3d22 352c 3222 2064 3d22 4d31 3330 382e =\"5,2\" d=\"M1308.\n-00007fb0: 3832 2c2d 3539 322e 3731 4331 3233 392e 82,-592.71C1239.\n-00007fc0: 322c 2d35 3838 2e37 3720 3130 3634 2e34 2,-588.77 1064.4\n-00007fd0: 342c 2d35 3736 2e34 2039 3231 2e35 362c 4,-576.4 921.56,\n-00007fe0: 2d35 3435 2e38 3320 3838 322e 3832 2c2d -545.83 882.82,-\n-00007ff0: 3533 372e 3534 2038 3735 2e32 2c2d 3532 537.54 875.2,-52\n-00008000: 372e 3733 2038 3336 2e35 362c 2d35 3138 7.73 836.56,-518\n-00008010: 2e39 3620 3734 332e 3633 2c2d 3439 372e .96 743.63,-497.\n-00008020: 3836 2036 3334 2e33 332c 2d34 3834 2e33 86 634.33,-484.3\n-00008030: 3320 3536 342e 3533 2c2d 3437 372e 3037 3 564.53,-477.07\n-00008040: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-00008050: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n-00008060: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n-00008070: 6e74 733d 2235 3634 2e38 332c 2d34 3733 nts=\"564.83,-473\n-00008080: 2e35 3920 3535 342e 3532 2c2d 3437 362e .59 554.52,-476.\n-00008090: 3035 2035 3634 2e31 312c 2d34 3830 2e35 05 564.11,-480.5\n-000080a0: 3520 3536 342e 3833 2c2d 3437 332e 3539 5 564.83,-473.59\n-000080b0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-000080c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000080d0: 5f72 616e 646f 6d20 2d2d 3e0a 3c67 2069 _random -->.<g i\n-000080e0: 643d 226e 6f64 6532 3022 2063 6c61 7373 d=\"node20\" class\n-000080f0: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e =\"node\">.<title>\n-00008100: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00008110: 6373 5f72 616e 646f 6d3c 2f74 6974 6c65 cs_random</title\n-00008120: 3e0a 3c67 2069 643d 2261 5f6e 6f64 6532 >.<g id=\"a_node2\n-00008130: 3022 3e3c 6120 786c 696e 6b3a 6872 6566 0\"><a xlink:href\n-00008140: 3d22 6772 6f75 705f 5f6d 6f64 756c 655f =\"group__module_\n-00008150: 5f72 616e 646f 6d2e 7868 746d 6c22 2074 _random.xhtml\" t\n-00008160: 6172 6765 743d 225f 746f 7022 2078 6c69 arget=\"_top\" xli\n-00008170: 6e6b 3a74 6974 6c65 3d22 7261 6e64 6f6d nk:title=\"random\n-00008180: 223e 0a3c 656c 6c69 7073 6520 6669 6c6c \">.<ellipse fill\n-00008190: 3d22 2366 6665 3463 6322 2073 7472 6f6b =\"#ffe4cc\" strok\n-000081a0: 653d 2262 6c61 636b 2220 6378 3d22 3232 e=\"black\" cx=\"22\n-000081b0: 3034 2e35 3622 2063 793d 222d 3436 392e 04.56\" cy=\"-469.\n-000081c0: 3533 2220 7278 3d22 3334 2e38 2220 7279 53\" rx=\"34.8\" ry\n-000081d0: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874 =\"13.37\"/>.<text\n-000081e0: 2074 6578 742d 616e 6368 6f72 3d22 6d69 text-anchor=\"mi\n-000081f0: 6464 6c65 2220 783d 2232 3230 342e 3536 ddle\" x=\"2204.56\n-00008200: 2220 793d 222d 3436 372e 3033 2220 666f \" y=\"-467.03\" fo\n-00008210: 6e74 2d66 616d 696c 793d 2246 7265 6553 nt-family=\"FreeS\n-00008220: 616e 7322 2066 6f6e 742d 7369 7a65 3d22 ans\" font-size=\"\n-00008230: 3130 2e30 3022 3e72 616e 646f 6d3c 2f74 10.00\">random</t\n-00008240: 6578 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c ext>.</a>.</g>.<\n-00008250: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-00008260: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n-00008270: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n-00008280: 5f73 7263 5f67 726f 6d61 6373 5f72 616e _src_gromacs_ran\n-00008290: 646f 6d20 2d2d 3e0a 3c67 2069 643d 2265 dom -->.<g id=\"e\n-000082a0: 6467 6534 3322 2063 6c61 7373 3d22 6564 dge43\" class=\"ed\n-000082b0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-000082c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-000082d0: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n-000082e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000082f0: 7261 6e64 6f6d 3c2f 7469 746c 653e 0a3c random</title>.<\n-00008300: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00008310: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n-00008320: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n-00008330: 3d22 352c 3222 2064 3d22 4d31 3337 302e =\"5,2\" d=\"M1370.\n-00008340: 3832 2c2d 3539 342e 3531 4331 3436 372e 82,-594.51C1467.\n-00008350: 372c 2d35 3934 2e37 3720 3137 3631 2e32 7,-594.77 1761.2\n-00008360: 372c 2d35 3931 2e36 3720 3138 3432 2e35 7,-591.67 1842.5\n-00008370: 362c 2d35 3435 2e38 3320 3138 3535 2e35 6,-545.83 1855.5\n-00008380: 332c 2d35 3338 2e35 3220 3138 3439 2e37 3,-538.52 1849.7\n-00008390: 362c 2d35 3236 2e35 3620 3138 3632 2e35 6,-526.56 1862.5\n-000083a0: 362c 2d35 3138 2e39 3620 3139 3131 2e39 6,-518.96 1911.9\n-000083b0: 372c 2d34 3839 2e36 3220 3230 3739 2e30 7,-489.62 2079.0\n-000083c0: 372c 2d34 3737 2e30 3720 3231 3539 2e39 7,-477.07 2159.9\n-000083d0: 362c 2d34 3732 2e36 3122 2f3e 0a3c 706f 6,-472.61\"/>.<po\n-000083e0: 6c79 676f 6e20 6669 6c6c 3d22 626c 6163 lygon fill=\"blac\n-000083f0: 6b22 2073 7472 6f6b 653d 2262 6c61 636b k\" stroke=\"black\n-00008400: 2220 706f 696e 7473 3d22 3231 3630 2e35 \" points=\"2160.5\n-00008410: 312c 2d34 3736 2e30 3820 3231 3730 2e33 1,-476.08 2170.3\n-00008420: 312c 2d34 3732 2e30 3520 3231 3630 2e31 1,-472.05 2160.1\n-00008430: 342c 2d34 3639 2e30 3920 3231 3630 2e35 4,-469.09 2160.5\n-00008440: 312c 2d34 3736 2e30 3822 2f3e 0a3c 2f67 1,-476.08\"/>.</g\n-00008450: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00008460: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n-00008470: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00008480: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-00008490: 6320 2d2d 3e0a 3c67 2069 643d 2265 6467 c -->.<g id=\"edg\n-000084a0: 6532 3522 2063 6c61 7373 3d22 6564 6765 e25\" class=\"edge\n-000084b0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-000084c0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-000084d0: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-000084e0: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n-000084f0: 6d64 6563 3c2f 7469 746c 653e 0a3c 7061 mdec</title>.<pa\n-00008500: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n-00008510: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n-00008520: 643d 224d 3133 3132 2e31 352c 2d36 3031 d=\"M1312.15,-601\n-00008530: 2e39 3843 3132 3533 2e35 322c 2d36 3133 .98C1253.52,-613\n-00008540: 2e32 3120 3131 3136 2e31 382c 2d36 3338 .21 1116.18,-638\n-00008550: 2e31 3120 3130 3436 2e31 322c 2d36 3530 .11 1046.12,-650\n-00008560: 2e32 3422 2f3e 0a3c 706f 6c79 676f 6e20 .24\"/>.<polygon \n-00008570: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n-00008580: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n-00008590: 706f 696e 7473 3d22 3130 3435 2e31 342c points=\"1045.14,\n-000085a0: 2d36 3436 2e38 3520 3130 3335 2e38 382c -646.85 1035.88,\n-000085b0: 2d36 3532 2031 3034 362e 3333 2c2d 3635 -652 1046.33,-65\n-000085c0: 332e 3735 2031 3034 352e 3134 2c2d 3634 3.75 1045.14,-64\n-000085d0: 362e 3835 222f 3e0a 3c2f 673e 0a3c 212d 6.85\"/>.</g>.<!-\n-000085e0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-000085f0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n-00008600: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00008610: 6f6d 6163 735f 6770 755f 7574 696c 7320 omacs_gpu_utils \n-00008620: 2d2d 3e0a 3c67 2069 643d 2265 6467 6533 -->.<g id=\"edge3\n-00008630: 3022 2063 6c61 7373 3d22 6564 6765 223e 0\" class=\"edge\">\n-00008640: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00008650: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-00008660: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00008670: 7372 635f 6772 6f6d 6163 735f 6770 755f src_gromacs_gpu_\n-00008680: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70 utils</title>.<p\n-00008690: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n-000086a0: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n-000086b0: 2073 7472 6f6b 652d 6461 7368 6172 7261 stroke-dasharra\n-000086c0: 793d 2235 2c32 2220 643d 224d 3133 3433 y=\"5,2\" d=\"M1343\n-000086d0: 2e35 362c 2d35 3831 2e35 3543 3133 3534 .56,-581.55C1354\n-000086e0: 2e35 312c 2d35 3436 2e32 3920 3133 3835 .51,-546.29 1385\n-000086f0: 2e33 322c 2d34 3434 2e31 2031 3430 322e .32,-444.1 1402.\n-00008700: 3536 2c2d 3335 372e 3232 2031 3430 362e 56,-357.22 1406.\n-00008710: 3032 2c2d 3333 392e 3820 3134 3038 2e36 02,-339.8 1408.6\n-00008720: 2c2d 3331 392e 3837 2031 3431 302e 3238 ,-319.87 1410.28\n-00008730: 2c2d 3330 342e 3839 222f 3e0a 3c70 6f6c ,-304.89\"/>.<pol\n-00008740: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n-00008750: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n-00008760: 6663 6322 2070 6f69 6e74 733d 2231 3431 fcc\" points=\"141\n-00008770: 332e 3831 2c2d 3330 342e 3833 2031 3431 3.81,-304.83 141\n-00008780: 312e 3338 2c2d 3239 342e 3532 2031 3430 1.38,-294.52 140\n-00008790: 362e 3834 2c2d 3330 342e 3039 2031 3431 6.84,-304.09 141\n-000087a0: 332e 3831 2c2d 3330 342e 3833 222f 3e0a 3.81,-304.83\"/>.\n-000087b0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-000087c0: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n-000087d0: 6c69 6564 5f66 6f72 6365 7320 2d2d 3e0a lied_forces -->.\n-000087e0: 3c67 2069 643d 226e 6f64 6532 3622 2063 <g id=\"node26\" c\n-000087f0: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469 lass=\"node\">.<ti\n-00008800: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00008810: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-00008820: 6f72 6365 733c 2f74 6974 6c65 3e0a 3c65 orces</title>.<e\n-00008830: 6c6c 6970 7365 2066 696c 6c3d 2223 6266 llipse fill=\"#bf\n-00008840: 6266 6266 2220 7374 726f 6b65 3d22 626c bfbf\" stroke=\"bl\n-00008850: 6163 6b22 2063 783d 2231 3532 322e 3536 ack\" cx=\"1522.56\n-00008860: 2220 6379 3d22 2d35 3332 2e34 2220 7278 \" cy=\"-532.4\" rx\n-00008870: 3d22 3536 2e36 3422 2072 793d 2231 332e =\"56.64\" ry=\"13.\n-00008880: 3337 222f 3e0a 3c74 6578 7420 7465 7874 37\"/>.<text text\n-00008890: 2d61 6e63 686f 723d 226d 6964 646c 6522 -anchor=\"middle\"\n-000088a0: 2078 3d22 3135 3232 2e35 3622 2079 3d22 x=\"1522.56\" y=\"\n-000088b0: 2d35 3239 2e39 2220 666f 6e74 2d66 616d -529.9\" font-fam\n-000088c0: 696c 793d 2246 7265 6553 616e 7322 2066 ily=\"FreeSans\" f\n-000088d0: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022 ont-size=\"10.00\"\n-000088e0: 3e61 7070 6c69 6564 5f66 6f72 6365 733c >applied_forces<\n-000088f0: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d /text>.</g>.<!--\n-00008900: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-00008910: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n-00008920: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00008930: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n-00008940: 6365 7320 2d2d 3e0a 3c67 2069 643d 2265 ces -->.<g id=\"e\n-00008950: 6467 6534 3522 2063 6c61 7373 3d22 6564 dge45\" class=\"ed\n-00008960: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-00008970: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00008980: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n-00008990: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000089a0: 6170 706c 6965 645f 666f 7263 6573 3c2f applied_forces</\n-000089b0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-000089c0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-000089d0: 2272 6564 2220 643d 224d 3133 3633 2e31 \"red\" d=\"M1363.1\n-000089e0: 312c 2d35 3836 2e34 3343 3133 3933 2e30 1,-586.43C1393.0\n-000089f0: 322c 2d35 3736 2e34 3820 3134 3435 2e31 2,-576.48 1445.1\n-00008a00: 332c 2d35 3539 2e31 3520 3134 3831 2e36 3,-559.15 1481.6\n-00008a10: 312c 2d35 3437 2e30 3222 2f3e 0a3c 706f 1,-547.02\"/>.<po\n-00008a20: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422 lygon fill=\"red\"\n-00008a30: 2073 7472 6f6b 653d 2272 6564 2220 706f stroke=\"red\" po\n-00008a40: 696e 7473 3d22 3134 3833 2e30 372c 2d35 ints=\"1483.07,-5\n-00008a50: 3530 2e32 3220 3134 3931 2e34 362c 2d35 50.22 1491.46,-5\n-00008a60: 3433 2e37 3420 3134 3830 2e38 362c 2d35 43.74 1480.86,-5\n-00008a70: 3433 2e35 3820 3134 3833 2e30 372c 2d35 43.58 1483.07,-5\n-00008a80: 3530 2e32 3222 2f3e 0a3c 2f67 3e0a 3c21 50.22\"/>.</g>.<!\n-00008a90: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-00008aa0: 6f6d 6163 735f 6d69 6d69 6320 2d2d 3e0a omacs_mimic -->.\n-00008ab0: 3c67 2069 643d 226e 6f64 6532 3722 2063 <g id=\"node27\" c\n-00008ac0: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469 lass=\"node\">.<ti\n-00008ad0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00008ae0: 726f 6d61 6373 5f6d 696d 6963 3c2f 7469 romacs_mimic</ti\n-00008af0: 746c 653e 0a3c 656c 6c69 7073 6520 6669 tle>.<ellipse fi\n-00008b00: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n-00008b10: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n-00008b20: 3139 3031 2e35 3622 2063 793d 222d 3533 1901.56\" cy=\"-53\n-00008b30: 322e 3422 2072 783d 2233 302e 3331 2220 2.4\" rx=\"30.31\" \n-00008b40: 7279 3d22 3133 2e33 3722 2f3e 0a3c 7465 ry=\"13.37\"/>.<te\n-00008b50: 7874 2074 6578 742d 616e 6368 6f72 3d22 xt text-anchor=\"\n-00008b60: 6d69 6464 6c65 2220 783d 2231 3930 312e middle\" x=\"1901.\n-00008b70: 3536 2220 793d 222d 3532 392e 3922 2066 56\" y=\"-529.9\" f\n-00008b80: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565 ont-family=\"Free\n-00008b90: 5361 6e73 2220 666f 6e74 2d73 697a 653d Sans\" font-size=\n-00008ba0: 2231 302e 3030 223e 6d69 6d69 633c 2f74 \"10.00\">mimic</t\n-00008bb0: 6578 743e 0a3c 2f67 3e0a 3c21 2d2d 206d ext>.</g>.<!-- m\n-00008bc0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00008bd0: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n-00008be0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00008bf0: 6373 5f6d 696d 6963 202d 2d3e 0a3c 6720 cs_mimic -->.<g \n-00008c00: 6964 3d22 6564 6765 3434 2220 636c 6173 id=\"edge44\" clas\n-00008c10: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-00008c20: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-00008c30: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n-00008c40: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00008c50: 6d61 6373 5f6d 696d 6963 3c2f 7469 746c macs_mimic</titl\n-00008c60: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00008c70: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-00008c80: 6266 6266 2220 643d 224d 3133 3730 2e34 bfbf\" d=\"M1370.4\n-00008c90: 382c 2d35 3933 2e33 3443 3134 3531 2e32 8,-593.34C1451.2\n-00008ca0: 342c 2d35 3930 2e34 3920 3136 3734 2e38 4,-590.49 1674.8\n-00008cb0: 372c 2d35 3739 2e38 3920 3138 3537 2e35 7,-579.89 1857.5\n-00008cc0: 362c 2d35 3435 2e38 3320 3138 3631 2e30 6,-545.83 1861.0\n-00008cd0: 322c 2d35 3435 2e31 3920 3138 3634 2e36 2,-545.19 1864.6\n-00008ce0: 2c2d 3534 342e 3339 2031 3836 382e 3136 ,-544.39 1868.16\n-00008cf0: 2c2d 3534 332e 3532 222f 3e0a 3c70 6f6c ,-543.52\"/>.<pol\n-00008d00: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n-00008d10: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n-00008d20: 6662 6622 2070 6f69 6e74 733d 2231 3836 fbf\" points=\"186\n-00008d30: 392e 3233 2c2d 3534 362e 3835 2031 3837 9.23,-546.85 187\n-00008d40: 382c 2d35 3430 2e39 3120 3138 3637 2e34 8,-540.91 1867.4\n-00008d50: 342c 2d35 3430 2e30 3920 3138 3639 2e32 4,-540.09 1869.2\n-00008d60: 332c 2d35 3436 2e38 3522 2f3e 0a3c 2f67 3,-546.85\"/>.</g\n-00008d70: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00008d80: 635f 6772 6f6d 6163 735f 7265 7374 7261 c_gromacs_restra\n-00008d90: 696e 7420 2d2d 3e0a 3c67 2069 643d 226e int -->.<g id=\"n\n-00008da0: 6f64 6532 3922 2063 6c61 7373 3d22 6e6f ode29\" class=\"no\n-00008db0: 6465 223e 0a3c 7469 746c 653e 6d6f 6475 de\">.<title>modu\n-00008dc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72 le_src_gromacs_r\n-00008dd0: 6573 7472 6169 6e74 3c2f 7469 746c 653e estraint</title>\n-00008de0: 0a3c 6720 6964 3d22 615f 6e6f 6465 3239 .<g id=\"a_node29\n-00008df0: 223e 3c61 2078 6c69 6e6b 3a68 7265 663d \"><a xlink:href=\n-00008e00: 2267 726f 7570 5f5f 6d6f 6475 6c65 5f5f \"group__module__\n-00008e10: 7265 7374 7261 696e 742e 7868 746d 6c22 restraint.xhtml\"\n-00008e20: 2074 6172 6765 743d 225f 746f 7022 2078 target=\"_top\" x\n-00008e30: 6c69 6e6b 3a74 6974 6c65 3d22 7265 7374 link:title=\"rest\n-00008e40: 7261 696e 7422 3e0a 3c65 6c6c 6970 7365 raint\">.<ellipse\n-00008e50: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n-00008e60: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n-00008e70: 3538 352e 3536 2220 6379 3d22 2d35 3332 585.56\" cy=\"-532\n-00008e80: 2e34 2220 7278 3d22 3336 2e35 3422 2072 .4\" rx=\"36.54\" r\n-00008e90: 793d 2231 332e 3337 222f 3e0a 3c74 6578 y=\"13.37\"/>.<tex\n-00008ea0: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n-00008eb0: 6964 646c 6522 2078 3d22 3538 352e 3536 iddle\" x=\"585.56\n-00008ec0: 2220 793d 222d 3532 392e 3922 2066 6f6e \" y=\"-529.9\" fon\n-00008ed0: 742d 6661 6d69 6c79 3d22 4672 6565 5361 t-family=\"FreeSa\n-00008ee0: 6e73 2220 666f 6e74 2d73 697a 653d 2231 ns\" font-size=\"1\n-00008ef0: 302e 3030 223e 7265 7374 7261 696e 743c 0.00\">restraint<\n-00008f00: 2f74 6578 743e 0a3c 2f61 3e0a 3c2f 673e /text>.</a>.</g>\n-00008f10: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-00008f20: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00008f30: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n-00008f40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72 le_src_gromacs_r\n-00008f50: 6573 7472 6169 6e74 202d 2d3e 0a3c 6720 estraint -->.<g \n-00008f60: 6964 3d22 6564 6765 3432 2220 636c 6173 id=\"edge42\" clas\n-00008f70: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-00008f80: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-00008f90: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n-00008fa0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00008fb0: 6d61 6373 5f72 6573 7472 6169 6e74 3c2f macs_restraint</\n-00008fc0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00008fd0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00008fe0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-00008ff0: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-00009000: 2064 3d22 4d31 3330 382e 322c 2d35 3934 d=\"M1308.2,-594\n-00009010: 2e33 3643 3132 3038 2e34 312c 2d35 3934 .36C1208.41,-594\n-00009020: 2e32 2038 3839 2e36 312c 2d35 3930 2e30 .2 889.61,-590.0\n-00009030: 3120 3633 302e 3536 2c2d 3534 352e 3833 1 630.56,-545.83\n-00009040: 2036 3237 2e38 382c 2d35 3435 2e33 3720 627.88,-545.37 \n-00009050: 3632 352e 3133 2c2d 3534 342e 3832 2036 625.13,-544.82 6\n-00009060: 3232 2e33 382c 2d35 3434 2e32 3122 2f3e 22.38,-544.21\"/>\n-00009070: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-00009080: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n-00009090: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n-000090a0: 3d22 3632 332e 3033 2c2d 3534 302e 3737 =\"623.03,-540.77\n-000090b0: 2036 3132 2e34 392c 2d35 3431 2e37 3920 612.49,-541.79 \n-000090c0: 3632 312e 3337 2c2d 3534 372e 3537 2036 621.37,-547.57 6\n-000090d0: 3233 2e30 332c 2d35 3430 2e37 3722 2f3e 23.03,-540.77\"/>\n-000090e0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-000090f0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00009100: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n-00009110: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00009120: 6f64 756c 6172 7369 6d75 6c61 746f 7220 odularsimulator \n-00009130: 2d2d 3e0a 3c67 2069 643d 2265 6467 6533 -->.<g id=\"edge3\n-00009140: 3622 2063 6c61 7373 3d22 6564 6765 223e 6\" class=\"edge\">\n-00009150: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00009160: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-00009170: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00009180: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n-00009190: 6c61 7273 696d 756c 6174 6f72 3c2f 7469 larsimulator</ti\n-000091a0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-000091b0: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n-000091c0: 6564 2220 643d 224d 3133 3339 2e39 2c2d ed\" d=\"M1339.9,-\n-000091d0: 3630 382e 3943 3133 3336 2e31 342c 2d36 608.9C1336.14,-6\n-000091e0: 3138 2e36 3120 3133 3238 2e36 382c 2d36 18.61 1328.68,-6\n-000091f0: 3332 2e33 3920 3133 3232 2e35 362c 2d36 32.39 1322.56,-6\n-00009200: 3434 2e37 2031 3238 392e 3334 2c2d 3731 44.7 1289.34,-71\n-00009210: 312e 3532 2031 3239 352e 3137 2c2d 3733 1.52 1295.17,-73\n-00009220: 362e 3035 2031 3235 322e 3536 2c2d 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115\n-00009310: 352e 3932 2c2d 3935 372e 3434 2031 3135 5.92,-957.44 115\n-00009320: 322e 3038 2c2d 3935 312e 3539 222f 3e0a 2.08,-951.59\"/>.\n-00009330: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-00009340: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-00009350: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-00009360: 655f 7372 635f 6772 6f6d 6163 735f 6f70 e_src_gromacs_op\n-00009370: 7469 6f6e 7320 2d2d 3e0a 3c67 2069 643d tions -->.<g id=\n-00009380: 2265 6467 6534 3622 2063 6c61 7373 3d22 \"edge46\" class=\"\n-00009390: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-000093a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000093b0: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n-000093c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000093d0: 735f 6f70 7469 6f6e 733c 2f74 6974 6c65 s_options</title\n-000093e0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-000093f0: 6e65 2220 7374 726f 6b65 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5f6e 626e _src_gromacs_nbn\n-00009880: 786d 202d 2d3e 0a3c 6720 6964 3d22 6e6f xm -->.<g id=\"no\n-00009890: 6465 3337 2220 636c 6173 733d 226e 6f64 de37\" class=\"nod\n-000098a0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-000098b0: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n-000098c0: 6e78 6d3c 2f74 6974 6c65 3e0a 3c67 2069 nxm</title>.<g i\n-000098d0: 643d 2261 5f6e 6f64 6533 3722 3e3c 6120 d=\"a_node37\"><a \n-000098e0: 786c 696e 6b3a 6872 6566 3d22 6772 6f75 xlink:href=\"grou\n-000098f0: 705f 5f6d 6f64 756c 655f 5f6e 626e 786d p__module__nbnxm\n-00009900: 2e78 6874 6d6c 2220 7461 7267 6574 3d22 .xhtml\" target=\"\n-00009910: 5f74 6f70 2220 786c 696e 6b3a 7469 746c _top\" xlink:titl\n-00009920: 653d 226e 626e 786d 223e 0a3c 656c 6c69 e=\"nbnxm\">.<elli\n-00009930: 7073 6520 6669 6c6c 3d22 2365 3563 6366 pse fill=\"#e5ccf\n-00009940: 6622 2073 7472 6f6b 653d 2262 6c61 636b f\" stroke=\"black\n-00009950: 2220 6378 3d22 3935 342e 3536 2220 6379 \" 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0a3c class=\"edge\">.<\n+00007e40: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00007e50: 5f67 726f 6d61 6373 5f67 6d78 616e 6126 _gromacs_gmxana&\n+00007e60: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00007e70: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n+00007e80: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b</title>.<path \n+00007e90: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n+00007ea0: 6b65 3d22 2362 6662 6662 6622 2064 3d22 ke=\"#bfbfbf\" d=\"\n+00007eb0: 4d31 3932 362e 3134 2c2d 3936 332e 3534 M1926.14,-963.54\n+00007ec0: 4331 3834 392e 3332 2c2d 3934 302e 3637 C1849.32,-940.67\n+00007ed0: 2031 3631 392e 3135 2c2d 3837 332e 3732 1619.15,-873.72\n+00007ee0: 2031 3432 342e 3536 2c2d 3833 332e 3331 1424.56,-833.31\n+00007ef0: 2031 3332 372e 332c 2d38 3133 2e31 3120 1327.3,-813.11 \n+00007f00: 3132 3131 2e34 342c 2d37 3937 2e33 2031 1211.44,-797.3 1\n+00007f10: 3135 312e 3637 2c2d 3738 392e 3734 222f 151.67,-789.74\"/\n+00007f20: 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5f73 7263 5f67 tle>module_src_g\n+00008010: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n+00008020: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00008030: 5f67 726f 6d61 6373 5f66 696c 6569 6f3c _gromacs_fileio<\n+00008040: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00008050: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00008060: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n+00008070: 3937 342e 3932 2c2d 3936 312e 3939 4332 974.92,-961.99C2\n+00008080: 3030 382e 3431 2c2d 3934 362e 3337 2032 008.41,-946.37 2\n+00008090: 3037 302e 3334 2c2d 3931 312e 3736 2032 070.34,-911.76 2\n+000080a0: 3039 352e 3536 2c2d 3836 302e 3138 2032 095.56,-860.18 2\n+000080b0: 3131 362e 3235 2c2d 3831 372e 3835 2032 116.25,-817.85 2\n+000080c0: 3132 392e 3039 2c2d 3737 302e 3720 3230 129.09,-770.7 20\n+000080d0: 3638 2e35 362c 2d37 3037 2e35 3720 3230 68.56,-707.57 20\n+000080e0: 3437 2e39 312c 2d36 3836 2e30 3320 3139 47.91,-686.03 19\n+000080f0: 3635 2e36 322c 2d36 3731 2e30 3420 3139 65.62,-671.04 19\n+00008100: 3137 2e33 352c 2d36 3633 2e38 3922 2f3e 17.35,-663.89\"/>\n+00008110: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+00008120: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n+00008130: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n+00008140: 3d22 3139 3137 2e37 312c 2d36 3630 2e34 =\"1917.71,-660.4\n+00008150: 3120 3139 3037 2e33 322c 2d36 3632 2e34 1 1907.32,-662.4\n+00008160: 3520 3139 3136 2e37 322c 2d36 3637 2e33 5 1916.72,-667.3\n+00008170: 3420 3139 3137 2e37 312c 2d36 3630 2e34 4 1917.71,-660.4\n+00008180: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 1\"/>.</g>.<!-- m\n+00008190: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000081a0: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n+000081b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000081c0: 6163 735f 7472 616a 6563 746f 7279 202d acs_trajectory -\n+000081d0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3332 ->.<g id=\"edge32\n+000081e0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+000081f0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00008200: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n+00008210: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00008220: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n+00008230: 6563 746f 7279 3c2f 7469 746c 653e 0a3c ectory</title>.<\n+00008240: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00008250: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00008260: 2220 643d 224d 3139 3837 2e37 352c 2d39 \" d=\"M1987.75,-9\n+00008270: 3730 2e36 3143 3230 3332 2e33 382c 2d39 70.61C2032.38,-9\n+00008280: 3637 2e39 3920 3231 3130 2e31 392c 2d39 67.99 2110.19,-9\n+00008290: 3538 2e32 3420 3231 3635 2e35 362c 2d39 58.24 2165.56,-9\n+000082a0: 3233 2e30 3520 3232 3035 2e37 362c 2d38 23.05 2205.76,-8\n+000082b0: 3937 2e35 2032 3331 332e 3536 2c2d 3736 97.5 2313.56,-76\n+000082c0: 302e 3332 2032 3331 332e 3536 2c2d 3732 0.32 2313.56,-72\n+000082d0: 322e 3031 2032 3331 332e 3536 2c2d 3732 2.01 2313.56,-72\n+000082e0: 322e 3031 2032 3331 332e 3536 2c2d 3732 2.01 2313.56,-72\n+000082f0: 322e 3031 2032 3331 332e 3536 2c2d 3635 2.01 2313.56,-65\n+00008300: 372e 3134 2032 3331 332e 3536 2c2d 3537 7.14 2313.56,-57\n+00008310: 322e 3331 2032 3335 332e 3536 2c2d 3535 2.31 2353.56,-55\n+00008320: 352e 3335 2032 3335 332e 3536 2c2d 3437 5.35 2353.56,-47\n+00008330: 302e 3533 2032 3335 332e 3536 2c2d 3437 0.53 2353.56,-47\n+00008340: 302e 3533 2032 3335 332e 3536 2c2d 3437 0.53 2353.56,-47\n+00008350: 302e 3533 2032 3335 332e 3536 2c2d 3430 0.53 2353.56,-40\n+00008360: 352e 3636 2032 3335 332e 3536 2c2d 3336 5.66 2353.56,-36\n+00008370: 302e 3331 2032 3333 382e 3731 2c2d 3234 0.31 2338.71,-24\n+00008380: 352e 3233 2032 3331 382e 3536 2c2d 3230 5.23 2318.56,-20\n+00008390: 342e 3631 2032 3331 332e 3031 2c2d 3139 4.61 2313.01,-19\n+000083a0: 332e 3433 2032 3330 342e 3036 2c2d 3138 3.43 2304.06,-18\n+000083b0: 332e 3031 2032 3239 352e 362c 2d31 3734 3.01 2295.6,-174\n+000083c0: 2e37 3222 2f3e 0a3c 706f 6c79 676f 6e20 .72\"/>.<polygon \n+000083d0: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n+000083e0: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n+000083f0: 706f 696e 7473 3d22 3232 3937 2e37 392c points=\"2297.79,\n+00008400: 2d31 3731 2e39 3820 3232 3838 2e30 372c -171.98 2288.07,\n+00008410: 2d31 3637 2e37 3520 3232 3933 2e30 332c -167.75 2293.03,\n+00008420: 2d31 3737 2e31 3120 3232 3937 2e37 392c -177.11 2297.79,\n+00008430: 2d31 3731 2e39 3822 2f3e 0a3c 2f67 3e0a -171.98\"/>.</g>.\n+00008440: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00008450: 6772 6f6d 6163 735f 636f 7272 656c 6174 gromacs_correlat\n+00008460: 696f 6e66 756e 6374 696f 6e73 202d 2d3e ionfunctions -->\n+00008470: 0a3c 6720 6964 3d22 6e6f 6465 3436 2220 .<g id=\"node46\" \n+00008480: 636c 6173 733d 226e 6f64 6522 3e0a 3c74 class=\"node\">.<t\n+00008490: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+000084a0: 6772 6f6d 6163 735f 636f 7272 656c 6174 gromacs_correlat\n+000084b0: 696f 6e66 756e 6374 696f 6e73 3c2f 7469 ionfunctions</ti\n+000084c0: 746c 653e 0a3c 6720 6964 3d22 615f 6e6f tle>.<g id=\"a_no\n+000084d0: 6465 3436 223e 3c61 2078 6c69 6e6b 3a68 de46\"><a xlink:h\n+000084e0: 7265 663d 2267 726f 7570 5f5f 6d6f 6475 ref=\"group__modu\n+000084f0: 6c65 5f5f 636f 7272 656c 6174 696f 6e66 le__correlationf\n+00008500: 756e 6374 696f 6e73 2e78 6874 6d6c 2220 unctions.xhtml\" \n+00008510: 7461 7267 6574 3d22 5f74 6f70 2220 786c target=\"_top\" xl\n+00008520: 696e 6b3a 7469 746c 653d 2263 6f72 7265 ink:title=\"corre\n+00008530: 6c61 7469 6f6e 6675 6e63 7469 6f6e 7322 lationfunctions\"\n+00008540: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d >.<ellipse fill=\n+00008550: 2223 6666 6363 6363 2220 7374 726f 6b65 \"#ffcccc\" stroke\n+00008560: 3d22 626c 6163 6b22 2063 783d 2232 3031 =\"black\" cx=\"201\n+00008570: 352e 3536 2220 6379 3d22 2d38 3436 2e37 5.56\" cy=\"-846.7\n+00008580: 3522 2072 783d 2237 312e 3334 2220 7279 5\" rx=\"71.34\" ry\n+00008590: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874 =\"13.37\"/>.<text\n+000085a0: 2074 6578 742d 616e 6368 6f72 3d22 6d69 text-anchor=\"mi\n+000085b0: 6464 6c65 2220 783d 2232 3031 352e 3536 ddle\" x=\"2015.56\n+000085c0: 2220 793d 222d 3834 342e 3235 2220 666f \" y=\"-844.25\" fo\n+000085d0: 6e74 2d66 616d 696c 793d 2246 7265 6553 nt-family=\"FreeS\n+000085e0: 616e 7322 2066 6f6e 742d 7369 7a65 3d22 ans\" font-size=\"\n+000085f0: 3130 2e30 3022 3e63 6f72 7265 6c61 7469 10.00\">correlati\n+00008600: 6f6e 6675 6e63 7469 6f6e 733c 2f74 6578 onfunctions</tex\n+00008610: 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 t>.</a>.</g>.</g\n+00008620: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00008630: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n+00008640: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00008650: 7372 635f 6772 6f6d 6163 735f 636f 7272 src_gromacs_corr\n+00008660: 656c 6174 696f 6e66 756e 6374 696f 6e73 elationfunctions\n+00008670: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+00008680: 3236 2220 636c 6173 733d 2265 6467 6522 26\" class=\"edge\"\n+00008690: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+000086a0: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n+000086b0: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c na->modul\n+000086c0: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+000086d0: 7272 656c 6174 696f 6e66 756e 6374 696f rrelationfunctio\n+000086e0: 6e73 3c2f 7469 746c 653e 0a3c 7061 7468 ns</title>.<path\n+000086f0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n+00008700: 6f6b 653d 2223 3238 3266 6363 2220 7374 oke=\"#282fcc\" st\n+00008710: 726f 6b65 2d64 6173 6861 7272 6179 3d22 roke-dasharray=\"\n+00008720: 352c 3222 2064 3d22 4d31 3935 382e 3833 5,2\" d=\"M1958.83\n+00008730: 2c2d 3935 392e 3137 4331 3936 392e 3438 ,-959.17C1969.48\n+00008740: 2c2d 3933 382e 3235 2031 3939 312e 3235 ,-938.25 1991.25\n+00008750: 2c2d 3839 352e 3520 3230 3034 2e35 2c2d ,-895.5 2004.5,-\n+00008760: 3836 392e 3436 222f 3e0a 3c70 6f6c 7967 869.46\"/>.<polyg\n+00008770: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+00008780: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+00008790: 6322 2070 6f69 6e74 733d 2232 3030 372e c\" points=\"2007.\n+000087a0: 3731 2c2d 3837 302e 3838 2032 3030 392e 71,-870.88 2009.\n+000087b0: 3133 2c2d 3836 302e 3338 2032 3030 312e 13,-860.38 2001.\n+000087c0: 3437 2c2d 3836 372e 3720 3230 3037 2e37 47,-867.7 2007.7\n+000087d0: 312c 2d38 3730 2e38 3822 2f3e 0a3c 2f67 1,-870.88\"/>.</g\n+000087e0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+000087f0: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n+00008800: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00008810: 7372 635f 6772 6f6d 6163 735f 7261 6e64 src_gromacs_rand\n+00008820: 6f6d 202d 2d3e 0a3c 6720 6964 3d22 6564 om -->.<g id=\"ed\n+00008830: 6765 3330 2220 636c 6173 733d 2265 6467 ge30\" class=\"edg\n+00008840: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00008850: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00008860: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64 xana->mod\n+00008870: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00008880: 7261 6e64 6f6d 3c2f 7469 746c 653e 0a3c random</title>.<\n+00008890: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000088a0: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+000088b0: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+000088c0: 3d22 352c 3222 2064 3d22 4d31 3938 342e =\"5,2\" d=\"M1984.\n+000088d0: 3537 2c2d 3936 362e 3631 4332 3033 322e 57,-966.61C2032.\n+000088e0: 3633 2c2d 3935 382e 3737 2032 3132 302e 63,-958.77 2120.\n+000088f0: 3438 2c2d 3934 322e 3239 2032 3134 352e 48,-942.29 2145.\n+00008900: 3536 2c2d 3932 332e 3035 2032 3233 392e 56,-923.05 2239.\n+00008910: 3532 2c2d 3835 302e 3938 2032 3232 352e 52,-850.98 2225.\n+00008920: 3135 2c2d 3738 392e 3639 2032 3233 332e 15,-789.69 2233.\n+00008930: 3536 2c2d 3637 312e 3537 2032 3234 382e 56,-671.57 2248.\n+00008940: 3432 2c2d 3436 322e 3937 2032 3333 312e 42,-462.97 2331.\n+00008950: 3234 2c2d 3334 342e 3236 2032 3137 352e 24,-344.26 2175.\n+00008960: 3536 2c2d 3230 342e 3631 2032 3133 342e 56,-204.61 2134.\n+00008970: 3031 2c2d 3136 372e 3334 2032 3036 382e 01,-167.34 2068.\n+00008980: 3332 2c2d 3135 372e 3720 3230 3234 2e35 32,-157.7 2024.5\n+00008990: 392c 2d31 3535 2e37 3322 2f3e 0a3c 706f 9,-155.73\"/>.<po\n+000089a0: 6c79 676f 6e20 6669 6c6c 3d22 626c 6163 lygon fill=\"blac\n+000089b0: 6b22 2073 7472 6f6b 653d 2262 6c61 636b k\" stroke=\"black\n+000089c0: 2220 706f 696e 7473 3d22 3230 3234 2e36 \" points=\"2024.6\n+000089d0: 332c 2d31 3532 2e32 3320 3230 3134 2e35 3,-152.23 2014.5\n+000089e0: 322c 2d31 3535 2e33 3920 3230 3234 2e34 2,-155.39 2024.4\n+000089f0: 2c2d 3135 392e 3233 2032 3032 342e 3633 ,-159.23 2024.63\n+00008a00: 2c2d 3135 322e 3233 222f 3e0a 3c2f 673e ,-152.23\"/>.</g>\n+00008a10: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00008a20: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n+00008a30: 5f66 6f72 6365 735f 6177 6820 2d2d 3e0a _forces_awh -->.\n+00008a40: 3c67 2069 643d 226e 6f64 6534 3922 2063 <g id=\"node49\" c\n+00008a50: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469 lass=\"node\">.<ti\n+00008a60: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00008a70: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+00008a80: 6f72 6365 735f 6177 683c 2f74 6974 6c65 orces_awh</title\n+00008a90: 3e0a 3c67 2069 643d 2261 5f6e 6f64 6534 >.<g id=\"a_node4\n+00008aa0: 3922 3e3c 6120 786c 696e 6b3a 6872 6566 9\"><a xlink:href\n+00008ab0: 3d22 6772 6f75 705f 5f6d 6f64 756c 655f =\"group__module_\n+00008ac0: 5f61 7768 2e78 6874 6d6c 2220 7461 7267 _awh.xhtml\" targ\n+00008ad0: 6574 3d22 5f74 6f70 2220 786c 696e 6b3a et=\"_top\" xlink:\n+00008ae0: 7469 746c 653d 2261 7768 223e 0a3c 656c title=\"awh\">.<el\n+00008af0: 6c69 7073 6520 6669 6c6c 3d22 6e6f 6e65 lipse fill=\"none\n+00008b00: 2220 7374 726f 6b65 3d22 626c 6163 6b22 \" stroke=\"black\"\n+00008b10: 2063 783d 2231 3938 372e 3536 2220 6379 cx=\"1987.56\" cy\n+00008b20: 3d22 2d35 3935 2e32 3722 2072 783d 2232 =\"-595.27\" rx=\"2\n+00008b30: 3722 2072 793d 2231 332e 3337 222f 3e0a 7\" ry=\"13.37\"/>.\n+00008b40: 3c74 6578 7420 7465 7874 2d61 6e63 686f <text text-ancho\n+00008b50: 723d 226d 6964 646c 6522 2078 3d22 3139 r=\"middle\" x=\"19\n+00008b60: 3837 2e35 3622 2079 3d22 2d35 3932 2e37 87.56\" y=\"-592.7\n+00008b70: 3722 2066 6f6e 742d 6661 6d69 6c79 3d22 7\" font-family=\"\n+00008b80: 4672 6565 5361 6e73 2220 666f 6e74 2d73 FreeSans\" font-s\n+00008b90: 697a 653d 2231 302e 3030 223e 6177 683c ize=\"10.00\">awh<\n+00008ba0: 2f74 6578 743e 0a3c 2f61 3e0a 3c2f 673e /text>.</a>.</g>\n+00008bb0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00008bc0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00008bd0: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64 xana->mod\n+00008be0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00008bf0: 6170 706c 6965 645f 666f 7263 6573 5f61 applied_forces_a\n+00008c00: 7768 202d 2d3e 0a3c 6720 6964 3d22 6564 wh -->.<g id=\"ed\n+00008c10: 6765 3331 2220 636c 6173 733d 2265 6467 ge31\" class=\"edg\n+00008c20: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00008c30: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00008c40: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64 xana->mod\n+00008c50: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00008c60: 6170 706c 6965 645f 666f 7263 6573 5f61 applied_forces_a\n+00008c70: 7768 3c2f 7469 746c 653e 0a3c 7061 7468 wh</title>.<path\n+00008c80: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n+00008c90: 6f6b 653d 2223 3238 3266 6363 2220 7374 oke=\"#282fcc\" st\n+00008ca0: 726f 6b65 2d64 6173 6861 7272 6179 3d22 roke-dasharray=\"\n+00008cb0: 352c 3222 2064 3d22 4d31 3937 392e 3238 5,2\" d=\"M1979.28\n+00008cc0: 2c2d 3936 332e 3637 4332 3030 322e 3239 ,-963.67C2002.29\n+00008cd0: 2c2d 3935 3620 3230 3335 2e35 2c2d 3934 ,-956 2035.5,-94\n+00008ce0: 322e 3539 2032 3035 392e 3536 2c2d 3932 2.59 2059.56,-92\n+00008cf0: 332e 3035 2032 3130 372e 3438 2c2d 3838 3.05 2107.48,-88\n+00008d00: 342e 3133 2032 3131 322e 3238 2c2d 3835 4.13 2112.28,-85\n+00008d10: 382e 3732 2032 3131 382e 3536 2c2d 3739 8.72 2118.56,-79\n+00008d20: 372e 3331 2032 3131 392e 3738 2c2d 3738 7.31 2119.78,-78\n+00008d30: 352e 3433 2032 3132 312e 3536 2c2d 3738 5.43 2121.56,-78\n+00008d40: 3220 3231 3138 2e35 362c 2d37 3730 2e34 2 2118.56,-770.4\n+00008d50: 3420 3231 3031 2e30 332c 2d37 3032 2e39 4 2101.03,-702.9\n+00008d60: 3220 3230 3430 2e38 2c2d 3634 322e 3331 2 2040.8,-642.31\n+00008d70: 2032 3030 382e 3437 2c2d 3631 332e 3638 2008.47,-613.68\n+00008d80: 222f 3e0a 3c70 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e\">.<title>modul\n+00008e70: 655f 7372 635f 6772 6f6d 6163 735f 6861 e_src_gromacs_ha\n+00008e80: 7264 7761 7265 2623 3435 3b26 6774 3b6d rdware->m\n+00008e90: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00008ea0: 735f 6770 755f 7574 696c 733c 2f74 6974 s_gpu_utils</tit\n+00008eb0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00008ec0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+00008ed0: 6662 6662 6622 2064 3d22 4d34 3132 2e32 fbfbf\" d=\"M412.2\n+00008ee0: 392c 2d39 372e 3935 4333 3531 2e38 332c 9,-97.95C351.83,\n+00008ef0: 2d31 3037 2e36 3120 3233 372e 3536 2c2d -107.61 237.56,-\n+00008f00: 3133 362e 3139 2032 3337 2e35 362c 2d32 136.19 237.56,-2\n+00008f10: 3137 2e30 3520 3233 372e 3536 2c2d 3238 17.05 237.56,-28\n+00008f20: 312e 3932 2032 3337 2e35 362c 2d32 3831 1.92 237.56,-281\n+00008f30: 2e39 3220 3233 372e 3536 2c2d 3238 312e .92 237.56,-281.\n+00008f40: 3932 2032 3337 2e35 362c 2d33 3635 2e33 92 237.56,-365.3\n+00008f50: 3320 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0a3c 41,-1013.47\"/>.<\n+00009040: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+00009050: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n+00009060: 6563 746f 7279 616e 616c 7973 6973 202d ectoryanalysis -\n+00009070: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3922 ->.<g id=\"node9\"\n+00009080: 2063 6c61 7373 3d22 6e6f 6465 223e 0a3c class=\"node\">.<\n+00009090: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000090a0: 5f67 726f 6d61 6373 5f74 7261 6a65 6374 _gromacs_traject\n+000090b0: 6f72 7961 6e61 6c79 7369 733c 2f74 6974 oryanalysis</tit\n+000090c0: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64 le>.<g id=\"a_nod\n+000090d0: 6539 223e 3c61 2078 6c69 6e6b 3a68 7265 e9\"><a xlink:hre\n+000090e0: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65 f=\"group__module\n+000090f0: 5f5f 7472 616a 6563 746f 7279 616e 616c __trajectoryanal\n+00009100: 7973 6973 2e78 6874 6d6c 2220 7461 7267 ysis.xhtml\" targ\n+00009110: 6574 3d22 5f74 6f70 2220 786c 696e 6b3a et=\"_top\" 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3935 5.19,-949.57 195\n+000093d0: 302e 3332 2c2d 3935 382e 3834 2031 3935 0.32,-958.84 195\n+000093e0: 322e 3039 2c2d 3934 382e 3339 2031 3934 2.09,-948.39 194\n+000093f0: 352e 3139 2c2d 3934 392e 3537 222f 3e0a 5.19,-949.57\"/>.\n+00009400: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00009410: 5f73 7263 5f67 726f 6d61 6373 5f74 7261 _src_gromacs_tra\n+00009420: 6a65 6374 6f72 7961 6e61 6c79 7369 7326 jectoryanalysis&\n+00009430: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00009440: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61 rc_gromacs_comma\n+00009450: 6e64 6c69 6e65 202d 2d3e 0a3c 6720 6964 ndline -->.<g id\n+00009460: 3d22 6564 6765 3339 2220 636c 6173 733d =\"edge39\" class=\n+00009470: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+00009480: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00009490: 735f 7472 616a 6563 746f 7279 616e 616c s_trajectoryanal\n+000094a0: 7973 6973 2623 3435 3b26 6774 3b6d 6f64 ysis->mod\n+000094b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000094c0: 636f 6d6d 616e 646c 696e 653c 2f74 6974 commandline</tit\n+000094d0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+000094e0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+000094f0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+00009500: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00009510: 224d 3138 3835 2e36 392c 2d37 3733 2e39 \"M1885.69,-773.9\n+00009520: 3543 3138 3337 2e39 342c 2d37 3634 2e32 5C1837.94,-764.2\n+00009530: 3420 3137 3539 2e33 322c 2d37 3438 2e32 4 1759.32,-748.2\n+00009540: 3420 3136 3931 2e35 362c 2d37 3334 2e34 4 1691.56,-734.4\n+00009550: 3420 3136 3837 2e36 382c 2d37 3333 2e36 4 1687.68,-733.6\n+00009560: 3520 3136 3833 2e36 362c 2d37 3332 2e38 5 1683.66,-732.8\n+00009570: 3320 3136 3739 2e36 322c 2d37 3332 2e30 3 1679.62,-732.0\n+00009580: 3122 2f3e 0a3c 706f 6c79 676f 6e20 6669 1\"/>.<polygon fi\n+00009590: 6c6c 3d22 2332 3832 6663 6322 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7472 616a 6563 746f 7279 omacs_trajectory\n+00009850: 616e 616c 7973 6973 2623 3435 3b26 6774 analysis->\n+00009860: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00009870: 6163 735f 616e 616c 7973 6973 6461 7461 acs_analysisdata\n+00009880: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n+00009890: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n+000098a0: 653d 2223 3238 3266 6363 2220 7374 726f e=\"#282fcc\" stro\n+000098b0: 6b65 2d64 6173 6861 7272 6179 3d22 352c ke-dasharray=\"5,\n+000098c0: 3222 2064 3d22 4d31 3931 372e 3232 2c2d 2\" d=\"M1917.22,-\n+000098d0: 3737 302e 3536 4331 3930 382e 3836 2c2d 770.56C1908.86,-\n+000098e0: 3736 322e 3232 2031 3839 372e 3636 2c2d 762.22 1897.66,-\n+000098f0: 3735 312e 3034 2031 3838 382e 3131 2c2d 751.04 1888.11,-\n+00009900: 3734 312e 3531 222f 3e0a 3c70 6f6c 7967 741.51\"/>.<polyg\n+00009910: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+00009920: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" 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6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n-00009a20: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00009a30: 6373 5f6e 626e 786d 202d 2d3e 0a3c 6720 cs_nbnxm -->.<g \n-00009a40: 6964 3d22 6564 6765 3337 2220 636c 6173 id=\"edge37\" clas\n-00009a50: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-00009a60: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-00009a70: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n-00009a80: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00009a90: 6d61 6373 5f6e 626e 786d 3c2f 7469 746c macs_nbnxm</titl\n-00009aa0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00009ab0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-00009ac0: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-00009ad0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-00009ae0: 4d31 3330 382e 3438 2c2d 3539 332e 3936 M1308.48,-593.96\n-00009af0: 4331 3233 362e 362c 2d35 3932 2e35 3920 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2334 353b 2667 743b 6d6f 6475 6c65 n->module\n-00009ea0: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n-00009eb0: 7061 743c 2f74 6974 6c65 3e0a 3c70 6174 pat</title>.<pat\n-00009ec0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n-00009ed0: 726f 6b65 3d22 2332 3832 6663 6322 2073 roke=\"#282fcc\" s\n-00009ee0: 7472 6f6b 652d 6461 7368 6172 7261 793d troke-dasharray=\n-00009ef0: 2235 2c32 2220 643d 224d 3133 3639 2e33 \"5,2\" d=\"M1369.3\n-00009f00: 372c 2d35 3931 2e31 3343 3134 3136 2e37 7,-591.13C1416.7\n-00009f10: 392c 2d35 3835 2e35 3720 3135 3131 2e38 9,-585.57 1511.8\n-00009f20: 372c 2d35 3731 2e39 3920 3135 3838 2e35 7,-571.99 1588.5\n-00009f30: 362c 2d35 3435 2e38 3320 3136 3334 2e31 6,-545.83 1634.1\n-00009f40: 2c2d 3533 302e 3320 3136 3833 2e33 2c2d ,-530.3 1683.3,-\n-00009f50: 3530 332e 3437 2031 3731 322e 3439 2c2d 503.47 1712.49,-\n-00009f60: 3438 362e 3338 222f 3e0a 3c70 6f6c 7967 486.38\"/>.<polyg\n-00009f70: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n-00009f80: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n-00009f90: 6322 2070 6f69 6e74 733d 2231 3731 342e c\" points=\"1714.\n-00009fa0: 3432 2c2d 3438 392e 3331 2031 3732 312e 42,-489.31 1721.\n-00009fb0: 3234 2c2d 3438 312e 3220 3137 3130 2e38 24,-481.2 1710.8\n-00009fc0: 352c 2d34 3833 2e32 3920 3137 3134 2e34 5,-483.29 1714.4\n-00009fd0: 322c 2d34 3839 2e33 3122 2f3e 0a3c 2f67 2,-489.31\"/>.</g\n-00009fe0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00009ff0: 635f 6772 6f6d 6163 735f 6c69 7374 6564 c_gromacs_listed\n-0000a000: 5f66 6f72 6365 7320 2d2d 3e0a 3c67 2069 _forces -->.<g i\n-0000a010: 643d 226e 6f64 6534 3122 2063 6c61 7373 d=\"node41\" class\n-0000a020: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e =\"node\">.<title>\n-0000a030: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000a040: 6373 5f6c 6973 7465 645f 666f 7263 6573 cs_listed_forces\n-0000a050: 3c2f 7469 746c 653e 0a3c 6720 6964 3d22 </title>.<g id=\"\n-0000a060: 615f 6e6f 6465 3431 223e 3c61 2078 6c69 a_node41\"><a xli\n-0000a070: 6e6b 3a68 7265 663d 2267 726f 7570 5f5f nk:href=\"group__\n-0000a080: 6d6f 6475 6c65 5f5f 6c69 7374 6564 5f5f module__listed__\n-0000a090: 666f 7263 6573 2e78 6874 6d6c 2220 7461 forces.xhtml\" ta\n-0000a0a0: 7267 6574 3d22 5f74 6f70 2220 786c 696e rget=\"_top\" xlin\n-0000a0b0: 6b3a 7469 746c 653d 226c 6973 7465 645f k:title=\"listed_\n-0000a0c0: 666f 7263 6573 223e 0a3c 656c 6c69 7073 forces\">.<ellips\n-0000a0d0: 6520 6669 6c6c 3d22 2365 3563 6366 6622 e fill=\"#e5ccff\"\n-0000a0e0: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n-0000a0f0: 6378 3d22 3231 3230 2e35 3622 2063 793d cx=\"2120.56\" cy=\n-0000a100: 222d 3135 352e 3138 2220 7278 3d22 3530 \"-155.18\" rx=\"50\n-0000a110: 2e38 3222 2072 793d 2231 332e 3337 222f .82\" ry=\"13.37\"/\n-0000a120: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63 >.<text text-anc\n-0000a130: 686f 723d 226d 6964 646c 6522 2078 3d22 hor=\"middle\" x=\"\n-0000a140: 3231 3230 2e35 3622 2079 3d22 2d31 3532 2120.56\" y=\"-152\n-0000a150: 2e36 3822 2066 6f6e 742d 6661 6d69 6c79 .68\" font-family\n-0000a160: 3d22 4672 6565 5361 6e73 2220 666f 6e74 =\"FreeSans\" font\n-0000a170: 2d73 697a 653d 2231 302e 3030 223e 6c69 -size=\"10.00\">li\n-0000a180: 7374 6564 5f66 6f72 6365 733c 2f74 6578 sted_forces</tex\n-0000a190: 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 t>.</a>.</g>.</g\n-0000a1a0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-0000a1b0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n-0000a1c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0000a1d0: 7263 5f67 726f 6d61 6373 5f6c 6973 7465 rc_gromacs_liste\n-0000a1e0: 645f 666f 7263 6573 202d 2d3e 0a3c 6720 d_forces -->.<g \n-0000a1f0: 6964 3d22 6564 6765 3332 2220 636c 6173 id=\"edge32\" clas\n-0000a200: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-0000a210: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-0000a220: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n-0000a230: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000a240: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n-0000a250: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es</title>.<path\n-0000a260: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n-0000a270: 6f6b 653d 2223 3238 3266 6363 2220 7374 oke=\"#282fcc\" st\n-0000a280: 726f 6b65 2d64 6173 6861 7272 6179 3d22 roke-dasharray=\"\n-0000a290: 352c 3222 2064 3d22 4d31 3337 302e 362c 5,2\" d=\"M1370.6,\n-0000a2a0: 2d35 3933 2e31 3443 3134 3737 2e36 342c -593.14C1477.64,\n-0000a2b0: 2d35 3839 2e30 3420 3138 3330 2e38 362c -589.04 1830.86,\n-0000a2c0: 2d35 3733 2e36 3920 3139 3430 2e35 362c -573.69 1940.56,\n-0000a2d0: 2d35 3435 2e38 3320 3230 3230 2e36 352c -545.83 2020.65,\n-0000a2e0: 2d35 3235 2e34 3920 3231 3130 2e35 362c -525.49 2110.56,\n-0000a2f0: 2d35 3533 2e31 3620 3231 3130 2e35 362c -553.16 2110.56,\n-0000a300: 2d34 3730 2e35 3320 3231 3130 2e35 362c 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module_s\n-0000a3f0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-0000a400: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0000a410: 7372 635f 6772 6f6d 6163 735f 6577 616c src_gromacs_ewal\n-0000a420: 6420 2d2d 3e0a 3c67 2069 643d 2265 6467 d -->.<g id=\"edg\n-0000a430: 6532 3722 2063 6c61 7373 3d22 6564 6765 e27\" class=\"edge\n-0000a440: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-0000a450: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-0000a460: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-0000a470: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n-0000a480: 616c 643c 2f74 6974 6c65 3e0a 3c70 6174 ald</title>.<pat\n-0000a490: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n-0000a4a0: 726f 6b65 3d22 7265 6422 2064 3d22 4d31 roke=\"red\" d=\"M1\n-0000a4b0: 3333 322e 3239 2c2d 3538 312e 3935 4331 332.29,-581.95C1\n-0000a4c0: 3331 392e 3833 2c2d 3536 302e 3832 2031 319.83,-560.82 1\n-0000a4d0: 3239 342e 3235 2c2d 3531 372e 3436 2031 294.25,-517.46 1\n-0000a4e0: 3237 382e 3933 2c2d 3439 312e 3522 2f3e 278.93,-491.5\"/>\n-0000a4f0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-0000a500: 7265 6422 2073 7472 6f6b 653d 2272 6564 red\" stroke=\"red\n-0000a510: 2220 706f 696e 7473 3d22 3132 3831 2e38 \" points=\"1281.8\n-0000a520: 392c 2d34 3839 2e36 3320 3132 3733 2e38 9,-489.63 1273.8\n-0000a530: 2c2d 3438 322e 3739 2031 3237 352e 3836 ,-482.79 1275.86\n-0000a540: 2c2d 3439 332e 3138 2031 3238 312e 3839 ,-493.18 1281.89\n-0000a550: 2c2d 3438 392e 3633 222f 3e0a 3c2f 673e ,-489.63\"/>.</g>\n-0000a560: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-0000a570: 5f67 726f 6d61 6373 5f69 6d64 202d 2d3e _gromacs_imd -->\n-0000a580: 0a3c 6720 6964 3d22 6e6f 6465 3435 2220 .<g id=\"node45\" \n-0000a590: 636c 6173 733d 226e 6f64 6522 3e0a 3c74 class=\"node\">.<t\n-0000a5a0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-0000a5b0: 6772 6f6d 6163 735f 696d 643c 2f74 6974 gromacs_imd</tit\n-0000a5c0: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64 le>.<g id=\"a_nod\n-0000a5d0: 6534 3522 3e3c 6120 786c 696e 6b3a 6872 e45\"><a xlink:hr\n-0000a5e0: 6566 3d22 6772 6f75 705f 5f6d 6f64 756c ef=\"group__modul\n-0000a5f0: 655f 5f69 6d64 2e78 6874 6d6c 2220 7461 e__imd.xhtml\" ta\n-0000a600: 7267 6574 3d22 5f74 6f70 2220 786c 696e rget=\"_top\" xlin\n-0000a610: 6b3a 7469 746c 653d 2269 6d64 223e 0a3c k:title=\"imd\">.<\n-0000a620: 656c 6c69 7073 6520 6669 6c6c 3d22 2365 ellipse fill=\"#e\n-0000a630: 3563 6366 6622 2073 7472 6f6b 653d 2262 5ccff\" stroke=\"b\n-0000a640: 6c61 636b 2220 6378 3d22 3830 302e 3536 lack\" cx=\"800.56\n-0000a650: 2220 6379 3d22 2d35 3332 2e34 2220 7278 \" cy=\"-532.4\" rx\n-0000a660: 3d22 3237 2220 7279 3d22 3133 2e33 3722 =\"27\" ry=\"13.37\"\n-0000a670: 2f3e 0a3c 7465 7874 2074 6578 742d 616e />.<text text-an\n-0000a680: 6368 6f72 3d22 6d69 6464 6c65 2220 783d chor=\"middle\" x=\n-0000a690: 2238 3030 2e35 3622 2079 3d22 2d35 3239 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xlink:title=\"e\n-0000b240: 6e65 7267 7961 6e61 6c79 7369 7322 3e0a nergyanalysis\">.\n-0000b250: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 <ellipse fill=\"#\n-0000b260: 6666 6363 6363 2220 7374 726f 6b65 3d22 ffcccc\" stroke=\"\n-0000b270: 626c 6163 6b22 2063 783d 2239 3838 2e35 black\" cx=\"988.5\n-0000b280: 3622 2063 793d 222d 3131 3631 2e31 2220 6\" cy=\"-1161.1\" \n-0000b290: 7278 3d22 3536 2e36 3422 2072 793d 2231 rx=\"56.64\" ry=\"1\n-0000b2a0: 332e 3337 222f 3e0a 3c74 6578 7420 7465 3.37\"/>.<text te\n-0000b2b0: 7874 2d61 6e63 686f 723d 226d 6964 646c xt-anchor=\"middl\n-0000b2c0: 6522 2078 3d22 3938 382e 3536 2220 793d e\" x=\"988.56\" y=\n-0000b2d0: 222d 3131 3538 2e36 2220 666f 6e74 2d66 \"-1158.6\" font-f\n-0000b2e0: 616d 696c 793d 2246 7265 6553 616e 7322 amily=\"FreeSans\"\n-0000b2f0: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30 font-size=\"10.0\n-0000b300: 3022 3e65 6e65 7267 7961 6e61 6c79 7369 0\">energyanalysi\n-0000b310: 733c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f 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6475 6c65 5f73 g>.<!-- module_s\n-0000b4f0: 7263 5f67 726f 6d61 6373 5f65 6e65 7267 rc_gromacs_energ\n-0000b500: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n-0000b510: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000b520: 6d61 6373 5f73 7461 7469 7374 6963 7320 macs_statistics \n-0000b530: 2d2d 3e0a 3c67 2069 643d 2265 6467 6535 -->.<g id=\"edge5\n-0000b540: 3122 2063 6c61 7373 3d22 6564 6765 223e 1\" class=\"edge\">\n-0000b550: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-0000b560: 7263 5f67 726f 6d61 6373 5f65 6e65 7267 rc_gromacs_energ\n-0000b570: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n-0000b580: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000b590: 6d61 6373 5f73 7461 7469 7374 6963 733c macs_statistics<\n-0000b5a0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-0000b5b0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0000b5c0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-0000b5d0: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-0000b5e0: 2220 643d 224d 3938 392e 3138 2c2d 3131 \" d=\"M989.18,-11\n-0000b5f0: 3437 2e34 3843 3938 392e 3534 2c2d 3131 47.48C989.54,-11\n-0000b600: 3430 2e31 3420 3939 302e 3031 2c2d 3131 40.14 990.01,-11\n-0000b610: 3330 2e36 3520 3939 302e 3434 2c2d 3131 30.65 990.44,-11\n-0000b620: 3232 2e30 3422 2f3e 0a3c 706f 6c79 676f 22.04\"/>.<polygo\n-0000b630: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n-0000b640: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-0000b650: 2220 706f 696e 7473 3d22 3939 332e 3934 \" points=\"993.94\n-0000b660: 2c2d 3131 3231 2e39 3820 3939 302e 3934 ,-1121.98 990.94\n-0000b670: 2c2d 3131 3131 2e38 3220 3938 362e 3935 ,-1111.82 986.95\n-0000b680: 2c2d 3131 3231 2e36 3420 3939 332e 3934 ,-1121.64 993.94\n-0000b690: 2c2d 3131 3231 2e39 3822 2f3e 0a3c 2f67 ,-1121.98\"/>.</g\n-0000b6a0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-0000b6b0: 635f 6772 6f6d 6163 735f 656e 6572 6779 c_gromacs_energy\n-0000b6c0: 616e 616c 7973 6973 2623 3435 3b26 6774 analysis->\n-0000b6d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000b6e0: 6163 735f 6669 6c65 696f 202d 2d3e 0a3c acs_fileio -->.<\n-0000b6f0: 6720 6964 3d22 6564 6765 3530 2220 636c g id=\"edge50\" cl\n-0000b700: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-0000b710: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-0000b720: 6f6d 6163 735f 656e 6572 6779 616e 616c omacs_energyanal\n-0000b730: 7973 6973 2623 3435 3b26 6774 3b6d 6f64 ysis->mod\n-0000b740: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000b750: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c fileio</title>.<\n-0000b760: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0000b770: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0000b780: 2220 643d 224d 3937 322e 3039 2c2d 3131 \" d=\"M972.09,-11\n-0000b790: 3438 2e31 4339 3533 2e30 382c 2d31 3133 48.1C953.08,-113\n-0000b7a0: 322e 3820 3932 362e 3339 2c2d 3131 3035 2.8 926.39,-1105\n-0000b7b0: 2e37 3920 3934 322e 3536 2c2d 3130 3834 .79 942.56,-1084\n-0000b7c0: 2e37 3920 3938 302e 372c 2d31 3033 352e .79 980.7,-1035.\n-0000b7d0: 3234 2031 3031 382e 3431 2c2d 3130 3635 24 1018.41,-1065\n-0000b7e0: 2e38 3720 3130 3738 2e35 362c 2d31 3034 .87 1078.56,-104\n-0000b7f0: 382e 3739 2031 3038 312e 3534 2c2d 3130 8.79 1081.54,-10\n-0000b800: 3437 2e39 3420 3130 3834 2e36 342c 2d31 47.94 1084.64,-1\n-0000b810: 3034 372e 3034 2031 3038 372e 3733 2c2d 047.04 1087.73,-\n-0000b820: 3130 3436 2e31 3322 2f3e 0a3c 706f 6c79 1046.13\"/>.<poly\n-0000b830: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n-0000b840: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n-0000b850: 6266 2220 706f 696e 7473 3d22 3130 3838 bf\" points=\"1088\n-0000b860: 2e39 2c2d 3130 3439 2e34 3420 3130 3937 .9,-1049.44 1097\n-0000b870: 2e34 372c 2d31 3034 332e 3231 2031 3038 .47,-1043.21 108\n-0000b880: 362e 3839 2c2d 3130 3432 2e37 3320 3130 6.89,-1042.73 10\n-0000b890: 3838 2e39 2c2d 3130 3439 2e34 3422 2f3e 88.9,-1049.44\"/>\n-0000b8a0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-0000b8b0: 655f 7372 635f 6772 6f6d 6163 735f 656e e_src_gromacs_en\n-0000b8c0: 6572 6779 616e 616c 7973 6973 2623 3435 ergyanalysis-\n-0000b8d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0000b8e0: 6772 6f6d 6163 735f 676d 7861 6e61 202d gromacs_gmxana -\n-0000b8f0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3532 ->.<g id=\"edge52\n-0000b900: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-0000b910: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-0000b920: 635f 6772 6f6d 6163 735f 656e 6572 6779 c_gromacs_energy\n-0000b930: 616e 616c 7973 6973 2623 3435 3b26 6774 analysis->\n-0000b940: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000b950: 6163 735f 676d 7861 6e61 3c2f 7469 746c acs_gmxana</titl\n-0000b960: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0000b970: 6f6e 6522 2073 7472 6f6b 653d 2223 3263 one\" stroke=\"#2c\n-0000b980: 6363 3238 2220 7374 726f 6b65 2d64 6173 cc28\" stroke-das\n-0000b990: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-0000b9a0: 4d31 3033 302e 3931 2c2d 3131 3730 2e30 M1030.91,-1170.0\n-0000b9b0: 3243 3130 3430 2e33 322c 2d31 3137 312e 2C1040.32,-1171.\n-0000b9c0: 3634 2031 3035 302e 3236 2c2d 3131 3733 64 1050.26,-1173\n-0000b9d0: 2e32 3420 3130 3539 2e35 362c 2d31 3137 .24 1059.56,-117\n-0000b9e0: 342e 3533 2031 3231 352e 3932 2c2d 3131 4.53 1215.92,-11\n-0000b9f0: 3936 2e32 3420 3134 3032 2e37 332c 2d31 96.24 1402.73,-1\n-0000ba00: 3231 322e 3633 2031 3438 362e 3333 2c2d 212.63 1486.33,-\n-0000ba10: 3132 3139 2e34 3722 2f3e 0a3c 706f 6c79 1219.47\"/>.<poly\n-0000ba20: 676f 6e20 6669 6c6c 3d22 2332 6363 6332 gon fill=\"#2ccc2\n-0000ba30: 3822 2073 7472 6f6b 653d 2223 3263 6363 8\" stroke=\"#2ccc\n-0000ba40: 3238 2220 706f 696e 7473 3d22 3134 3836 28\" points=\"1486\n-0000ba50: 2e32 322c 2d31 3232 322e 3937 2031 3439 .22,-1222.97 149\n-0000ba60: 362e 3437 2c2d 3132 3230 2e33 2031 3438 6.47,-1220.3 148\n-0000ba70: 362e 3739 2c2d 3132 3136 2031 3438 362e 6.79,-1216 1486.\n-0000ba80: 3232 2c2d 3132 3232 2e39 3722 2f3e 0a3c 22,-1222.97\"/>.<\n-0000ba90: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-0000baa0: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n-0000bab0: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c na->modul\n-0000bac0: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n-0000bad0: 6d6d 616e 646c 696e 6520 2d2d 3e0a 3c67 mmandline -->.<g\n-0000bae0: 2069 643d 2265 6467 6535 3322 2063 6c61 id=\"edge53\" cla\n-0000baf0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-0000bb00: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-0000bb10: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n-0000bb20: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0000bb30: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n-0000bb40: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468 ne</title>.<path\n-0000bb50: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n-0000bb60: 6f6b 653d 2262 6c61 636b 2220 7374 726f oke=\"black\" stro\n-0000bb70: 6b65 2d64 6173 6861 7272 6179 3d22 352c ke-dasharray=\"5,\n-0000bb80: 3222 2064 3d22 4d31 3439 352e 3231 2c2d 2\" d=\"M1495.21,-\n-0000bb90: 3132 3233 2e31 3743 3133 3831 2e34 362c 1223.17C1381.46,\n-0000bba0: 2d31 3232 332e 3334 2031 3032 362e 3238 -1223.34 1026.28\n-0000bbb0: 2c2d 3132 3230 2e31 3320 3932 322e 3536 ,-1220.13 922.56\n-0000bbc0: 2c2d 3131 3734 2e35 3320 3839 352e 3337 ,-1174.53 895.37\n-0000bbd0: 2c2d 3131 3632 2e35 3820 3837 312e 3436 ,-1162.58 871.46\n-0000bbe0: 2c2d 3131 3337 2e35 3720 3835 362e 382c ,-1137.57 856.8,\n-0000bbf0: 2d31 3131 392e 3636 222f 3e0a 3c70 6f6c -1119.66\"/>.<pol\n-0000bc00: 7967 6f6e 2066 696c 6c3d 2262 6c61 636b ygon fill=\"black\n-0000bc10: 2220 7374 726f 6b65 3d22 626c 6163 6b22 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5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000bd10: 5f73 7461 7469 7374 6963 733c 2f74 6974 _statistics</tit\n-0000bd20: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0000bd30: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-0000bd40: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n-0000bd50: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-0000bd60: 224d 3134 3935 2e30 352c 2d31 3232 322e \"M1495.05,-1222.\n-0000bd70: 3831 4331 3430 302e 3732 2c2d 3132 3231 81C1400.72,-1221\n-0000bd80: 2e38 3420 3131 3436 2e32 322c 2d31 3231 .84 1146.22,-121\n-0000bd90: 352e 3431 2031 3037 342e 3536 2c2d 3131 5.41 1074.56,-11\n-0000bda0: 3734 2e35 3320 3130 3631 2e36 332c 2d31 74.53 1061.63,-1\n-0000bdb0: 3136 372e 3135 2031 3036 352c 2d31 3135 167.15 1065,-115\n-0000bdc0: 382e 3237 2031 3035 342e 3536 2c2d 3131 8.27 1054.56,-11\n-0000bdd0: 3437 2e36 3620 3130 3433 2e31 392c 2d31 47.66 1043.19,-1\n-0000bde0: 3133 362e 3131 2031 3032 382e 3939 2c2d 136.11 1028.99,-\n-0000bdf0: 3131 3234 2e39 3620 3130 3136 2e39 352c 1124.96 1016.95,\n-0000be00: 2d31 3131 362e 3238 222f 3e0a 3c70 6f6c -1116.28\"/>.<pol\n-0000be10: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n-0000be20: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n-0000be30: 6663 6322 2070 6f69 6e74 733d 2231 3031 fcc\" points=\"101\n-0000be40: 382e 3832 2c2d 3131 3133 2e33 3220 3130 8.82,-1113.32 10\n-0000be50: 3038 2e36 332c 2d31 3131 302e 3432 2031 08.63,-1110.42 1\n-0000be60: 3031 342e 3739 2c2d 3131 3139 2e30 3420 014.79,-1119.04 \n-0000be70: 3130 3138 2e38 322c 2d31 3131 332e 3332 1018.82,-1113.32\n-0000be80: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-0000be90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000bea0: 5f67 6d78 616e 6126 2334 353b 2667 743b _gmxana->\n-0000beb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000bec0: 6373 5f66 696c 6569 6f20 2d2d 3e0a 3c67 cs_fileio -->.<g\n-0000bed0: 2069 643d 2265 6467 6535 3422 2063 6c61 id=\"edge54\" cla\n-0000bee0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-0000bef0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-0000bf00: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n-0000bf10: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0000bf20: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74 romacs_fileio</t\n-0000bf30: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0000bf40: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0000bf50: 2362 6662 6662 6622 2064 3d22 4d31 3439 #bfbfbf\" d=\"M149\n-0000bf60: 342e 3931 2c2d 3132 3233 2e32 4331 3435 4.91,-1223.2C145\n-0000bf70: 322e 3131 2c2d 3132 3231 2e36 3420 3133 2.11,-1221.64 13\n-0000bf80: 3830 2e33 392c 2d31 3231 322e 3839 2031 80.39,-1212.89 1\n-0000bf90: 3333 342e 3536 2c2d 3131 3734 2e35 3320 334.56,-1174.53 \n-0000bfa0: 3133 3031 2e30 372c 2d31 3134 362e 3520 1301.07,-1146.5 \n-0000bfb0: 3133 3237 2e36 352c 2d31 3131 332e 3238 1327.65,-1113.28\n-0000bfc0: 2031 3239 342e 3536 2c2d 3130 3834 2e37 1294.56,-1084.7\n-0000bfd0: 3920 3132 3535 2e36 392c 2d31 3035 312e 9 1255.69,-1051.\n-0000bfe0: 3333 2031 3139 352e 3534 2c2d 3130 3430 33 1195.54,-1040\n-0000bff0: 2e38 3420 3131 3536 2e38 362c 2d31 3033 .84 1156.86,-103\n-0000c000: 372e 3633 222f 3e0a 3c70 6f6c 7967 6f6e 7.63\"/>.<polygon\n-0000c010: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n-0000c020: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n-0000c030: 2070 6f69 6e74 733d 2231 3135 362e 3737 points=\"1156.77\n-0000c040: 2c2d 3130 3334 2e31 3220 3131 3436 2e35 ,-1034.12 1146.5\n-0000c050: 352c 2d31 3033 362e 3931 2031 3135 362e 5,-1036.91 1156.\n-0000c060: 3238 2c2d 3130 3431 2e31 2031 3135 362e 28,-1041.1 1156.\n-0000c070: 3737 2c2d 3130 3334 2e31 3222 2f3e 0a3c 77,-1034.12\"/>.<\n-0000c080: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-0000c090: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n-0000c0a0: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c na->modul\n-0000c0b0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0000c0c0: 7370 616e 202d 2d3e 0a3c 6720 6964 3d22 span -->.<g id=\"\n-0000c0d0: 6564 6765 3634 2220 636c 6173 733d 2265 edge64\" class=\"e\n-0000c0e0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-0000c0f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000c100: 676d 7861 6e61 2623 3435 3b26 6774 3b6d gmxana->m\n-0000c110: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000c120: 735f 6d64 7370 616e 3c2f 7469 746c 653e s_mdspan</title>\n-0000c130: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .<path fill=\"non\n-0000c140: 6522 2073 7472 6f6b 653d 2223 3238 3266 e\" stroke=\"#282f\n-0000c150: 6363 2220 7374 726f 6b65 2d64 6173 6861 cc\" stroke-dasha\n-0000c160: 7272 6179 3d22 352c 3222 2064 3d22 4d31 rray=\"5,2\" d=\"M1\n-0000c170: 3536 352e 3538 2c2d 3132 3231 2e35 3443 565.58,-1221.54C\n-0000c180: 3136 3638 2e38 382c 2d31 3231 372e 3034 1668.88,-1217.04\n-0000c190: 2031 3937 312e 3034 2c2d 3132 3031 2e38 1971.04,-1201.8\n-0000c1a0: 3520 3230 3635 2e35 362c 2d31 3137 342e 5 2065.56,-1174.\n-0000c1b0: 3533 2032 3333 302e 3632 2c2d 3130 3937 53 2330.62,-1097\n-0000c1c0: 2e39 3120 3234 3930 2e35 362c 2d39 3937 .91 2490.56,-997\n-0000c1d0: 2e39 3220 3234 3930 2e35 362c 2d37 3232 .92 2490.56,-722\n-0000c1e0: 2e30 3120 3234 3930 2e35 362c 2d37 3232 .01 2490.56,-722\n-0000c1f0: 2e30 3120 3234 3930 2e35 362c 2d37 3232 .01 2490.56,-722\n-0000c200: 2e30 3120 3234 3930 2e35 362c 2d32 3137 .01 2490.56,-217\n-0000c210: 2e30 3520 3234 3930 2e35 362c 2d31 3939 .05 2490.56,-199\n-0000c220: 2e32 3520 3234 3139 2e38 352c 2d39 332e .25 2419.85,-93.\n-0000c230: 3339 2032 3430 392e 3536 2c2d 3738 2e38 39 2409.56,-78.8\n-0000c240: 3720 3234 3032 2e35 312c 2d36 382e 3932 7 2402.51,-68.92\n-0000c250: 2032 3339 332e 392c 2d35 382e 3533 2032 2393.9,-58.53 2\n-0000c260: 3338 362e 3339 2c2d 3439 2e39 3322 2f3e 386.39,-49.93\"/>\n-0000c270: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-0000c280: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n-0000c290: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n-0000c2a0: 3d22 3233 3838 2e38 372c 2d34 372e 3436 =\"2388.87,-47.46\n-0000c2b0: 2032 3337 392e 3631 2c2d 3432 2e33 3120 2379.61,-42.31 \n-0000c2c0: 3233 3833 2e36 342c 2d35 322e 3131 2032 2383.64,-52.11 2\n-0000c2d0: 3338 382e 3837 2c2d 3437 2e34 3622 2f3e 388.87,-47.46\"/>\n-0000c2e0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-0000c2f0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-0000c300: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64 xana->mod\n+00009a10: 735f 7472 616a 6563 746f 7279 616e 616c s_trajectoryanal\n+00009a20: 7973 6973 2623 3435 3b26 6774 3b6d 6f64 ysis->mod\n+00009a30: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00009a40: 676d 7870 7265 7072 6f63 6573 733c 2f74 gmxpreprocess</t\n+00009a50: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00009a60: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00009a70: 2332 6363 6332 3822 2073 7472 6f6b 652d #2ccc28\" stroke-\n+00009a80: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00009a90: 643d 224d 3138 3738 2e33 2c2d 3739 322e d=\"M1878.3,-792.\n+00009aa0: 3236 4331 3734 372e 3935 2c2d 3831 322e 26C1747.95,-812.\n+00009ab0: 3138 2031 3430 392e 3534 2c2d 3837 312e 18 1409.54,-871.\n+00009ac0: 3532 2031 3334 342e 3536 2c2d 3935 392e 52 1344.56,-959.\n+00009ad0: 3035 2031 3330 392e 3737 2c2d 3130 3035 05 1309.77,-1005\n+00009ae0: 2e39 3120 3133 3939 2e31 322c 2d31 3032 .91 1399.12,-102\n+00009af0: 332e 3636 2031 3436 362e 3236 2c2d 3130 3.66 1466.26,-10\n+00009b00: 3330 2e33 3522 2f3e 0a3c 706f 6c79 676f 30.35\"/>.<polygo\n+00009b10: 6e20 6669 6c6c 3d22 2332 6363 6332 3822 n fill=\"#2ccc28\"\n+00009b20: 2073 7472 6f6b 653d 2223 3263 6363 3238 stroke=\"#2ccc28\n+00009b30: 2220 706f 696e 7473 3d22 3134 3636 2e31 \" points=\"1466.1\n+00009b40: 332c 2d31 3033 332e 3835 2031 3437 362e 3,-1033.85 1476.\n+00009b50: 3431 2c2d 3130 3331 2e33 2031 3436 362e 41,-1031.3 1466.\n+00009b60: 3738 2c2d 3130 3236 2e38 3820 3134 3636 78,-1026.88 1466\n+00009b70: 2e31 332c 2d31 3033 332e 3835 222f 3e0a .13,-1033.85\"/>.\n+00009b80: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00009b90: 5f73 7263 5f67 726f 6d61 6373 5f74 7261 _src_gromacs_tra\n+00009ba0: 6a65 6374 6f72 7961 6e61 6c79 7369 7326 jectoryanalysis&\n+00009bb0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00009bc0: 7263 5f67 726f 6d61 6373 5f73 7461 7469 rc_gromacs_stati\n+00009bd0: 7374 6963 7320 2d2d 3e0a 3c67 2069 643d stics -->.<g id=\n+00009be0: 2265 6467 6534 3622 2063 6c61 7373 3d22 \"edge46\" class=\"\n+00009bf0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00009c00: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00009c10: 5f74 7261 6a65 6374 6f72 7961 6e61 6c79 _trajectoryanaly\n+00009c20: 7369 7326 2334 353b 2667 743b 6d6f 6475 sis->modu\n+00009c30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n+00009c40: 7461 7469 7374 6963 733c 2f74 6974 6c65 tatistics</title\n+00009c50: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00009c60: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+00009c70: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+00009c80: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+00009c90: 3138 3936 2e36 342c 2d37 3732 2e32 3743 1896.64,-772.27C\n+00009ca0: 3138 3633 2e34 332c 2d37 3631 2e35 3820 1863.43,-761.58 \n+00009cb0: 3138 3132 2e32 352c 2d37 3435 2e30 3920 1812.25,-745.09 \n+00009cc0: 3137 3737 2e36 332c 2d37 3333 2e39 3422 1777.63,-733.94\"\n+00009cd0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+00009ce0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00009cf0: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n+00009d00: 7473 3d22 3137 3738 2e34 392c 2d37 3330 ts=\"1778.49,-730\n+00009d10: 2e35 3420 3137 3637 2e39 2c2d 3733 302e .54 1767.9,-730.\n+00009d20: 3831 2031 3737 362e 3334 2c2d 3733 372e 81 1776.34,-737.\n+00009d30: 3231 2031 3737 382e 3439 2c2d 3733 302e 21 1778.49,-730.\n+00009d40: 3534 222f 3e0a 3c2f 673e 0a3c 212d 2d20 54\"/>.</g>.<!-- \n+00009d50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00009d60: 6373 5f74 7261 6a65 6374 6f72 7961 6e61 cs_trajectoryana\n+00009d70: 6c79 7369 7326 2334 353b 2667 743b 6d6f lysis->mo\n+00009d80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00009d90: 5f66 696c 6569 6f20 2d2d 3e0a 3c67 2069 _fileio -->.<g i\n+00009da0: 643d 2265 6467 6534 3022 2063 6c61 7373 d=\"edge40\" class\n+00009db0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+00009dc0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00009dd0: 6373 5f74 7261 6a65 6374 6f72 7961 6e61 cs_trajectoryana\n+00009de0: 6c79 7369 7326 2334 353b 2667 743b 6d6f lysis->mo\n+00009df0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00009e00: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a _fileio</title>.\n+00009e10: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n+00009e20: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+00009e30: 6622 2064 3d22 4d31 3837 372e 3935 2c2d f\" d=\"M1877.95,-\n+00009e40: 3737 352e 3633 4331 3835 322e 3836 2c2d 775.63C1852.86,-\n+00009e50: 3736 392e 3233 2031 3832 342e 3839 2c2d 769.23 1824.89,-\n+00009e60: 3735 372e 3136 2031 3830 392e 3536 2c2d 757.16 1809.56,-\n+00009e70: 3733 342e 3434 2031 3739 332e 3138 2c2d 734.44 1793.18,-\n+00009e80: 3731 302e 3136 2031 3832 362e 3332 2c2d 710.16 1826.32,-\n+00009e90: 3638 362e 3437 2031 3835 322e 3839 2c2d 686.47 1852.89,-\n+00009ea0: 3637 322e 3334 222f 3e0a 3c70 6f6c 7967 672.34\"/>.<polyg\n+00009eb0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n+00009ec0: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+00009ed0: 6622 2070 6f69 6e74 733d 2231 3835 342e f\" points=\"1854.\n+00009ee0: 3539 2c2d 3637 352e 3420 3138 3631 2e39 59,-675.4 1861.9\n+00009ef0: 332c 2d36 3637 2e37 3520 3138 3531 2e34 3,-667.75 1851.4\n+00009f00: 332c 2d36 3639 2e31 3620 3138 3534 2e35 3,-669.16 1854.5\n+00009f10: 392c 2d36 3735 2e34 222f 3e0a 3c2f 673e 9,-675.4\"/>.</g>\n+00009f20: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00009f30: 5f67 726f 6d61 6373 5f63 6f6f 7264 696e _gromacs_coordin\n+00009f40: 6174 6569 6f20 2d2d 3e0a 3c67 2069 643d ateio -->.<g id=\n+00009f50: 226e 6f64 6534 3322 2063 6c61 7373 3d22 \"node43\" class=\"\n+00009f60: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f node\">.<title>mo\n+00009f70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00009f80: 5f63 6f6f 7264 696e 6174 6569 6f3c 2f74 _coordinateio</t\n+00009f90: 6974 6c65 3e0a 3c67 2069 643d 2261 5f6e itle>.<g id=\"a_n\n+00009fa0: 6f64 6534 3322 3e3c 6120 786c 696e 6b3a ode43\"><a xlink:\n+00009fb0: 6872 6566 3d22 6772 6f75 705f 5f6d 6f64 href=\"group__mod\n+00009fc0: 756c 655f 5f63 6f6f 7264 696e 6174 6569 ule__coordinatei\n+00009fd0: 6f2e 7868 746d 6c22 2074 6172 6765 743d o.xhtml\" target=\n+00009fe0: 225f 746f 7022 2078 6c69 6e6b 3a74 6974 \"_top\" xlink:tit\n+00009ff0: 6c65 3d22 636f 6f72 6469 6e61 7465 696f le=\"coordinateio\n+0000a000: 223e 0a3c 656c 6c69 7073 6520 6669 6c6c \">.<ellipse fill\n+0000a010: 3d22 2366 6663 6363 6322 2073 7472 6f6b =\"#ffcccc\" strok\n+0000a020: 653d 2262 6c61 636b 2220 6378 3d22 3139 e=\"black\" cx=\"19\n+0000a030: 3835 2e35 3622 2063 793d 222d 3732 312e 85.56\" cy=\"-721.\n+0000a040: 3031 2220 7278 3d22 3438 2e35 3822 2072 01\" rx=\"48.58\" r\n+0000a050: 793d 2231 332e 3337 222f 3e0a 3c74 6578 y=\"13.37\"/>.<tex\n+0000a060: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n+0000a070: 6964 646c 6522 2078 3d22 3139 3835 2e35 iddle\" x=\"1985.5\n+0000a080: 3622 2079 3d22 2d37 3138 2e35 3122 2066 6\" y=\"-718.51\" f\n+0000a090: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565 ont-family=\"Free\n+0000a0a0: 5361 6e73 2220 666f 6e74 2d73 697a 653d Sans\" font-size=\n+0000a0b0: 2231 302e 3030 223e 636f 6f72 6469 6e61 \"10.00\">coordina\n+0000a0c0: 7465 696f 3c2f 7465 7874 3e0a 3c2f 613e teio</text>.</a>\n+0000a0d0: 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 .</g>.</g>.<!-- \n+0000a0e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000a0f0: 6373 5f74 7261 6a65 6374 6f72 7961 6e61 cs_trajectoryana\n+0000a100: 6c79 7369 7326 2334 353b 2667 743b 6d6f lysis->mo\n+0000a110: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000a120: 5f63 6f6f 7264 696e 6174 6569 6f20 2d2d _coordinateio --\n+0000a130: 3e0a 3c67 2069 643d 2265 6467 6534 3522 >.<g id=\"edge45\"\n+0000a140: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+0000a150: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0000a160: 5f67 726f 6d61 6373 5f74 7261 6a65 6374 _gromacs_traject\n+0000a170: 6f72 7961 6e61 6c79 7369 7326 2334 353b oryanalysis-\n+0000a180: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000a190: 726f 6d61 6373 5f63 6f6f 7264 696e 6174 romacs_coordinat\n+0000a1a0: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio</title>.<pat\n+0000a1b0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n+0000a1c0: 726f 6b65 3d22 2332 3832 6663 6322 2073 roke=\"#282fcc\" s\n+0000a1d0: 7472 6f6b 652d 6461 7368 6172 7261 793d troke-dasharray=\n+0000a1e0: 2235 2c32 2220 643d 224d 3139 3430 2e38 \"5,2\" d=\"M1940.8\n+0000a1f0: 392c 2d37 3730 2e35 3643 3139 3438 2e34 9,-770.56C1948.4\n+0000a200: 382c 2d37 3632 2e33 3120 3139 3538 2e36 8,-762.31 1958.6\n+0000a210: 342c 2d37 3531 2e32 3620 3139 3637 2e33 4,-751.26 1967.3\n+0000a220: 352c 2d37 3431 2e37 3922 2f3e 0a3c 706f 5,-741.79\"/>.<po\n+0000a230: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n+0000a240: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n+0000a250: 3266 6363 2220 706f 696e 7473 3d22 3139 2fcc\" points=\"19\n+0000a260: 3730 2e30 352c 2d37 3434 2e30 3320 3139 70.05,-744.03 19\n+0000a270: 3734 2e32 342c 2d37 3334 2e33 3120 3139 74.24,-734.31 19\n+0000a280: 3634 2e39 2c2d 3733 392e 3239 2031 3937 64.9,-739.29 197\n+0000a290: 302e 3035 2c2d 3734 342e 3033 222f 3e0a 0.05,-744.03\"/>.\n+0000a2a0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0000a2b0: 5f73 7263 5f67 726f 6d61 6373 5f74 7261 _src_gromacs_tra\n+0000a2c0: 6a65 6374 6f72 7961 6e61 6c79 7369 7326 jectoryanalysis&\n+0000a2d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000a2e0: 7263 5f67 726f 6d61 6373 5f72 616e 646f rc_gromacs_rando\n+0000a2f0: 6d20 2d2d 3e0a 3c67 2069 643d 2265 6467 m -->.<g id=\"edg\n+0000a300: 6534 3322 2063 6c61 7373 3d22 6564 6765 e43\" class=\"edge\n+0000a310: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+0000a320: 5f73 7263 5f67 726f 6d61 6373 5f74 7261 _src_gromacs_tra\n+0000a330: 6a65 6374 6f72 7961 6e61 6c79 7369 7326 jectoryanalysis&\n+0000a340: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000a350: 7263 5f67 726f 6d61 6373 5f72 616e 646f rc_gromacs_rando\n+0000a360: 6d3c 2f74 6974 6c65 3e0a 3c70 6174 6820 m</title>.<path \n+0000a370: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n+0000a380: 6b65 3d22 626c 6163 6b22 2073 7472 6f6b ke=\"black\" strok\n+0000a390: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+0000a3a0: 2220 643d 224d 3139 3635 2e38 312c 2d37 \" d=\"M1965.81,-7\n+0000a3b0: 3732 2e35 4332 3032 372e 3334 2c2d 3735 72.5C2027.34,-75\n+0000a3c0: 322e 3620 3231 3439 2e37 392c 2d37 3032 2.6 2149.79,-702\n+0000a3d0: 2e35 2032 3139 332e 3536 2c2d 3630 382e .5 2193.56,-608.\n+0000a3e0: 3720 3232 3433 2e31 362c 2d35 3032 2e34 7 2243.16,-502.4\n+0000a3f0: 3120 3231 3933 2e35 362c 2d34 3632 2e30 1 2193.56,-462.0\n+0000a400: 3820 3231 3933 2e35 362c 2d33 3434 2e37 8 2193.56,-344.7\n+0000a410: 3920 3231 3933 2e35 362c 2d33 3434 2e37 9 2193.56,-344.7\n+0000a420: 3920 3231 3933 2e35 362c 2d33 3434 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2024.41,-154.42\"\n+0000a510: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+0000a520: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000a530: 636f 6d6d 616e 646c 696e 6526 2334 353b commandline-\n+0000a540: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000a550: 726f 6d61 6373 5f6f 6e6c 696e 6568 656c romacs_onlinehel\n+0000a560: 7020 2d2d 3e0a 3c67 2069 643d 2265 6467 p -->.<g id=\"edg\n+0000a570: 6534 3722 2063 6c61 7373 3d22 6564 6765 e47\" class=\"edge\n+0000a580: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+0000a590: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n+0000a5a0: 6d61 6e64 6c69 6e65 2623 3435 3b26 6774 mandline->\n+0000a5b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000a5c0: 6163 735f 6f6e 6c69 6e65 6865 6c70 3c2f acs_onlinehelp</\n+0000a5d0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0000a5e0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0000a5f0: 2223 3238 3266 6363 2220 643d 224d 3136 \"#282fcc\" d=\"M16\n+0000a600: 3538 2e37 352c 2d37 3039 2e35 3443 3136 58.75,-709.54C16\n+0000a610: 3836 2e34 2c2d 3639 392e 3238 2031 3732 86.4,-699.28 172\n+0000a620: 382e 3636 2c2d 3638 332e 3620 3137 3538 8.66,-683.6 1758\n+0000a630: 2e36 382c 2d36 3732 2e34 3522 2f3e 0a3c .68,-672.45\"/>.<\n+0000a640: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+0000a650: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+0000a660: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+0000a670: 3137 3630 2e32 2c2d 3637 352e 3632 2031 1760.2,-675.62 1\n+0000a680: 3736 382e 3336 2c2d 3636 382e 3836 2031 768.36,-668.86 1\n+0000a690: 3735 372e 3737 2c2d 3636 392e 3036 2031 757.77,-669.06 1\n+0000a6a0: 3736 302e 322c 2d36 3735 2e36 3222 2f3e 760.2,-675.62\"/>\n+0000a6b0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+0000a6c0: 655f 7372 635f 6772 6f6d 6163 735f 6f70 e_src_gromacs_op\n+0000a6d0: 7469 6f6e 7320 2d2d 3e0a 3c67 2069 643d tions -->.<g id=\n+0000a6e0: 226e 6f64 6531 3822 2063 6c61 7373 3d22 \"node18\" class=\"\n+0000a6f0: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f node\">.<title>mo\n+0000a700: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000a710: 5f6f 7074 696f 6e73 3c2f 7469 746c 653e _options</title>\n+0000a720: 0a3c 6720 6964 3d22 615f 6e6f 6465 3138 .<g id=\"a_node18\n+0000a730: 223e 3c61 2078 6c69 6e6b 3a68 7265 663d \"><a xlink:href=\n+0000a740: 2267 726f 7570 5f5f 6d6f 6475 6c65 5f5f \"group__module__\n+0000a750: 6f70 7469 6f6e 732e 7868 746d 6c22 2074 options.xhtml\" t\n+0000a760: 6172 6765 743d 225f 746f 7022 2078 6c69 arget=\"_top\" xli\n+0000a770: 6e6b 3a74 6974 6c65 3d22 6f70 7469 6f6e nk:title=\"option\n+0000a780: 7322 3e0a 3c65 6c6c 6970 7365 2066 696c s\">.<ellipse fil\n+0000a790: 6c3d 2223 6666 6534 6363 2220 7374 726f l=\"#ffe4cc\" stro\n+0000a7a0: 6b65 3d22 626c 6163 6b22 2063 783d 2231 ke=\"black\" cx=\"1\n+0000a7b0: 3038 312e 3536 2220 6379 3d22 2d33 3433 081.56\" cy=\"-343\n+0000a7c0: 2e37 3922 2072 783d 2233 332e 3838 2220 .79\" rx=\"33.88\" \n+0000a7d0: 7279 3d22 3133 2e33 3722 2f3e 0a3c 7465 ry=\"13.37\"/>.<te\n+0000a7e0: 7874 2074 6578 742d 616e 6368 6f72 3d22 xt text-anchor=\"\n+0000a7f0: 6d69 6464 6c65 2220 783d 2231 3038 312e middle\" x=\"1081.\n+0000a800: 3536 2220 793d 222d 3334 312e 3239 2220 56\" y=\"-341.29\" \n+0000a810: 666f 6e74 2d66 616d 696c 793d 2246 7265 font-family=\"Fre\n+0000a820: 6553 616e 7322 2066 6f6e 742d 7369 7a65 eSans\" font-size\n+0000a830: 3d22 3130 2e30 3022 3e6f 7074 696f 6e73 =\"10.00\">options\n+0000a840: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67 </text>.</a>.</g\n+0000a850: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+0000a860: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n+0000a870: 6f6d 6d61 6e64 6c69 6e65 2623 3435 3b26 ommandline-&\n+0000a880: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000a890: 6f6d 6163 735f 6f70 7469 6f6e 7320 2d2d omacs_options --\n+0000a8a0: 3e0a 3c67 2069 643d 2265 6467 6534 3822 >.<g id=\"edge48\"\n+0000a8b0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+0000a8c0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0000a8d0: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64 _gromacs_command\n+0000a8e0: 6c69 6e65 2623 3435 3b26 6774 3b6d 6f64 line->mod\n+0000a8f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000a900: 6f70 7469 6f6e 733c 2f74 6974 6c65 3e0a options</title>.\n+0000a910: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n+0000a920: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+0000a930: 6322 2073 7472 6f6b 652d 6461 7368 6172 c\" stroke-dashar\n+0000a940: 7261 793d 2235 2c32 2220 643d 224d 3136 ray=\"5,2\" d=\"M16\n+0000a950: 3230 2e38 2c2d 3730 372e 3639 4331 3630 20.8,-707.69C160\n+0000a960: 372e 3739 2c2d 3639 312e 3820 3135 3833 7.79,-691.8 1583\n+0000a970: 2e34 382c 2d36 3633 2e39 3220 3135 3538 .48,-663.92 1558\n+0000a980: 2e35 362c 2d36 3434 2e37 2031 3533 322e .56,-644.7 1532.\n+0000a990: 3431 2c2d 3632 342e 3534 2031 3532 312e 41,-624.54 1521.\n+0000a9a0: 3932 2c2d 3632 352e 3632 2031 3439 332e 92,-625.62 1493.\n+0000a9b0: 3536 2c2d 3630 382e 3720 3133 3434 2e30 56,-608.7 1344.0\n+0000a9c0: 362c 2d35 3139 2e35 3420 3131 3639 2e39 6,-519.54 1169.9\n+0000a9d0: 312c 2d34 3034 2e30 3120 3131 3036 2e33 1,-404.01 1106.3\n+0000a9e0: 362c 2d33 3631 2e34 3622 2f3e 0a3c 706f 6,-361.46\"/>.<po\n+0000a9f0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n+0000aa00: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n+0000aa10: 3266 6363 2220 706f 696e 7473 3d22 3131 2fcc\" points=\"11\n+0000aa20: 3038 2e30 362c 2d33 3538 2e33 3920 3130 08.06,-358.39 10\n+0000aa30: 3937 2e38 312c 2d33 3535 2e37 3320 3131 97.81,-355.73 11\n+0000aa40: 3034 2e31 372c 2d33 3634 2e32 2031 3130 04.17,-364.2 110\n+0000aa50: 382e 3036 2c2d 3335 382e 3339 222f 3e0a 8.06,-358.39\"/>.\n+0000aa60: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0000aa70: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n+0000aa80: 6d61 6e64 6c69 6e65 2623 3435 3b26 6774 mandline->\n+0000aa90: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000aaa0: 6163 735f 6669 6c65 696f 202d 2d3e 0a3c acs_fileio -->.<\n+0000aab0: 6720 6964 3d22 6564 6765 3439 2220 636c g id=\"edge49\" cl\n+0000aac0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0000aad0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0000aae0: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n+0000aaf0: 6526 2334 353b 2667 743b 6d6f 6475 6c65 e->module\n+0000ab00: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n+0000ab10: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio</title>.<pat\n+0000ab20: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n+0000ab30: 726f 6b65 3d22 2362 6662 6662 6622 2064 roke=\"#bfbfbf\" d\n+0000ab40: 3d22 4d31 3636 392e 3135 2c2d 3731 312e =\"M1669.15,-711.\n+0000ab50: 3835 4331 3732 312e 3636 2c2d 3730 302e 85C1721.66,-700.\n+0000ab60: 3636 2031 3831 322e 3831 2c2d 3638 302e 66 1812.81,-680.\n+0000ab70: 3839 2031 3834 352e 3536 2c2d 3637 312e 89 1845.56,-671.\n+0000ab80: 3537 2031 3834 372e 3237 2c2d 3637 312e 57 1847.27,-671.\n+0000ab90: 3039 2031 3834 392e 3031 2c2d 3637 302e 09 1849.01,-670.\n+0000aba0: 3537 2031 3835 302e 3736 2c2d 3637 302e 57 1850.76,-670.\n+0000abb0: 3032 222f 3e0a 3c70 6f6c 7967 6f6e 2066 02\"/>.<polygon f\n+0000abc0: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+0000abd0: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n+0000abe0: 6f69 6e74 733d 2231 3835 322e 3332 2c2d oints=\"1852.32,-\n+0000abf0: 3637 332e 3220 3138 3630 2e37 342c 2d36 673.2 1860.74,-6\n+0000ac00: 3636 2e37 3620 3138 3530 2e31 352c 2d36 66.76 1850.15,-6\n+0000ac10: 3636 2e35 3420 3138 3532 2e33 322c 2d36 66.54 1852.32,-6\n+0000ac20: 3733 2e32 222f 3e0a 3c2f 673e 0a3c 212d 73.2\"/>.</g>.<!-\n+0000ac30: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+0000ac40: 6d61 6373 5f6d 6474 7970 6573 2623 3435 macs_mdtypes-\n+0000ac50: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000ac60: 6772 6f6d 6163 735f 6577 616c 6420 2d2d gromacs_ewald --\n+0000ac70: 3e0a 3c67 2069 643d 2265 6467 6535 3222 >.<g id=\"edge52\"\n+0000ac80: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+0000ac90: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0000aca0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n+0000acb0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000acc0: 7372 635f 6772 6f6d 6163 735f 6577 616c src_gromacs_ewal\n+0000acd0: 643c 2f74 6974 6c65 3e0a 3c70 6174 6820 d</title>.<path \n+0000ace0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n+0000acf0: 6b65 3d22 2332 3832 6663 6322 2073 7472 ke=\"#282fcc\" str\n+0000ad00: 6f6b 652d 6461 7368 6172 7261 793d 2235 oke-dasharray=\"5\n+0000ad10: 2c32 2220 643d 224d 3838 322e 3031 2c2d ,2\" d=\"M882.01,-\n+0000ad20: 3839 362e 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omacs_gpu_utils \n+0000ae10: 2d2d 3e0a 3c67 2069 643d 2265 6467 6535 -->.<g id=\"edge5\n+0000ae20: 3122 2063 6c61 7373 3d22 6564 6765 223e 1\" class=\"edge\">\n+0000ae30: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0000ae40: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+0000ae50: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+0000ae60: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n+0000ae70: 755f 7574 696c 733c 2f74 6974 6c65 3e0a u_utils</title>.\n+0000ae80: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n+0000ae90: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+0000aea0: 6322 2064 3d22 4d38 3439 2e34 362c 2d39 c\" d=\"M849.46,-9\n+0000aeb0: 3130 2e38 4337 3739 2e39 312c 2d39 3132 10.8C779.91,-912\n+0000aec0: 2e32 3520 3632 392e 3036 2c2d 3932 302e .25 629.06,-920.\n+0000aed0: 3231 2035 3038 2e35 362c 2d39 3539 2e30 21 508.56,-959.0\n+0000aee0: 3520 3436 352e 322c 2d39 3733 2e30 3320 5 465.2,-973.03 \n+0000aef0: 3431 392e 3731 2c2d 3130 3030 2e38 2033 419.71,-1000.8 3\n+0000af00: 3930 2e38 312c 2d31 3031 382e 3433 222f 90.81,-1018.43\"/\n+0000af10: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+0000af20: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+0000af30: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n+0000af40: 733d 2233 3838 2e37 362c 2d31 3031 352e s=\"388.76,-1015.\n+0000af50: 3538 2033 3832 2e30 332c 2d31 3032 332e 58 382.03,-1023.\n+0000af60: 3737 2033 3932 2e33 392c 2d31 3032 312e 77 392.39,-1021.\n+0000af70: 3536 2033 3838 2e37 362c 2d31 3031 352e 56 388.76,-1015.\n+0000af80: 3538 222f 3e0a 3c2f 673e 0a3c 212d 2d20 58\"/>.</g>.<!-- \n+0000af90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000afa0: 6373 5f6d 6474 7970 6573 2623 3435 3b26 cs_mdtypes-&\n+0000afb0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000afc0: 6f6d 6163 735f 646f 6d64 6563 202d 2d3e omacs_domdec -->\n+0000afd0: 0a3c 6720 6964 3d22 6564 6765 3530 2220 .<g id=\"edge50\" \n+0000afe0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+0000aff0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+0000b000: 6772 6f6d 6163 735f 6d64 7479 7065 7326 gromacs_mdtypes&\n+0000b010: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000b020: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+0000b030: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820 c</title>.<path \n+0000b040: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n+0000b050: 6b65 3d22 7265 6422 2064 3d22 4d38 3933 ke=\"red\" d=\"M893\n+0000b060: 2e36 382c 2d38 3936 2e31 3243 3930 312e .68,-896.12C901.\n+0000b070: 3038 2c2d 3838 372e 3131 2039 3131 2e37 08,-887.11 911.7\n+0000b080: 342c 2d38 3734 2e31 3220 3931 362e 3536 4,-874.12 916.56\n+0000b090: 2c2d 3836 302e 3138 2039 3230 2e34 362c ,-860.18 920.46,\n+0000b0a0: 2d38 3438 2e38 3920 3931 382e 3834 2c2d -848.89 918.84,-\n+0000b0b0: 3834 352e 3033 2039 3136 2e35 362c 2d38 845.03 916.56,-8\n+0000b0c0: 3333 2e33 3120 3837 382e 3735 2c2d 3633 33.31 878.75,-63\n+0000b0d0: 382e 3837 2037 3837 2e33 372c 2d36 3134 8.87 787.37,-614\n+0000b0e0: 2e35 3320 3734 392e 3536 2c2d 3432 302e .53 749.56,-420.\n+0000b0f0: 3039 2037 3437 2e32 382c 2d34 3038 2e33 09 747.28,-408.3\n+0000b100: 3720 3734 322e 3932 2c2d 3430 332e 3135 7 742.92,-403.15\n+0000b110: 2037 3439 2e35 362c 2d33 3933 2e32 3220 749.56,-393.22 \n+0000b120: 3737 322e 3831 2c2d 3335 382e 3433 2037 772.81,-358.43 7\n+0000b130: 3938 2e33 332c 2d33 3734 2e32 3320 3833 98.33,-374.23 83\n+0000b140: 362e 3536 2c2d 3335 372e 3232 2038 3833 6.56,-357.22 883\n+0000b150: 2e30 362c 2d33 3336 2e35 3420 3933 362e .06,-336.54 936.\n+0000b160: 3333 2c2d 3331 302e 3639 2039 3730 2e31 33,-310.69 970.1\n+0000b170: 342c 2d32 3935 2e32 3822 2f3e 0a3c 706f 4,-295.28\"/>.<po\n+0000b180: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422 lygon fill=\"red\"\n+0000b190: 2073 7472 6f6b 653d 2272 6564 2220 706f stroke=\"red\" po\n+0000b1a0: 696e 7473 3d22 3937 312e 3838 2c2d 3239 ints=\"971.88,-29\n+0000b1b0: 382e 3334 2039 3739 2e35 362c 2d32 3931 8.34 979.56,-291\n+0000b1c0: 2e30 3420 3936 392e 3031 2c2d 3239 312e .04 969.01,-291.\n+0000b1d0: 3936 2039 3731 2e38 382c 2d32 3938 2e33 96 971.88,-298.3\n+0000b1e0: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 4\"/>.</g>.<!-- m\n+0000b1f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000b200: 735f 6d64 7479 7065 7326 2334 353b 2667 s_mdtypes-&g\n+0000b210: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000b220: 6d61 6373 5f6d 646c 6962 202d 2d3e 0a3c macs_mdlib -->.<\n+0000b230: 6720 6964 3d22 6564 6765 3533 2220 636c g id=\"edge53\" cl\n+0000b240: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0000b250: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0000b260: 6f6d 6163 735f 6d64 7479 7065 7326 2334 omacs_mdtypes\n+0000b270: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000b280: 5f67 726f 6d61 6373 5f6d 646c 6962 3c2f _gromacs_mdlib</\n+0000b290: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0000b2a0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0000b2b0: 2223 6266 6266 6266 2220 643d 224d 3834 \"#bfbfbf\" d=\"M84\n+0000b2c0: 392e 3337 2c2d 3930 372e 3738 4338 3034 9.37,-907.78C804\n+0000b2d0: 2e37 372c 2d39 3035 2e32 3420 3733 312e .77,-905.24 731.\n+0000b2e0: 3134 2c2d 3839 352e 3620 3638 302e 3536 14,-895.6 680.56\n+0000b2f0: 2c2d 3836 302e 3138 2036 3533 2e30 332c ,-860.18 653.03,\n+0000b300: 2d38 3430 2e39 3120 3635 332e 3335 2c2d -840.91 653.35,-\n+0000b310: 3832 372e 3439 2036 3338 2e35 362c 2d37 827.49 638.56,-7\n+0000b320: 3937 2e33 3120 3534 362e 3833 2c2d 3631 97.31 546.83,-61\n+0000b330: 302e 3132 2034 3638 2e34 352c 2d34 3936 0.12 468.45,-496\n+0000b340: 2e33 3420 3539 342e 3536 2c2d 3333 302e .34 594.56,-330.\n+0000b350: 3335 2036 3036 2e30 382c 2d33 3135 2e31 35 606.08,-315.1\n+0000b360: 3920 3837 312e 3039 2c2d 3234 392e 3233 9 871.09,-249.23\n+0000b370: 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6974 6c65 s=\"edge\">.<title\n+0000b460: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0000b470: 6163 735f 6d64 7479 7065 7326 2334 353b acs_mdtypes-\n+0000b480: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000b490: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74 romacs_fileio</t\n+0000b4a0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0000b4b0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0000b4c0: 2332 6363 6332 3822 2073 7472 6f6b 652d #2ccc28\" stroke-\n+0000b4d0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+0000b4e0: 643d 224d 3931 342e 3133 2c2d 3839 392e d=\"M914.13,-899.\n+0000b4f0: 3933 4339 3437 2e36 312c 2d38 3930 2e34 93C947.61,-890.4\n+0000b500: 3920 3130 3036 2e32 372c 2d38 3734 2e37 9 1006.27,-874.7\n+0000b510: 3920 3130 3536 2e35 362c 2d38 3630 2e31 9 1056.56,-860.1\n+0000b520: 3820 3132 3737 2e32 342c 2d37 3936 2e30 8 1277.24,-796.0\n+0000b530: 3920 3133 3235 2e39 332c 2d37 3536 2e30 9 1325.93,-756.0\n+0000b540: 3220 3135 3530 2e35 362c 2d37 3037 2e35 2 1550.56,-707.5\n+0000b550: 3720 3136 3735 2e37 392c 2d36 3830 2e35 7 1675.79,-680.5\n+0000b560: 3620 3137 3131 2e37 392c 2d37 3030 2e36 6 1711.79,-700.6\n+0000b570: 3420 3138 3336 2e35 362c 2d36 3731 2e35 4 1836.56,-671.5\n+0000b580: 3720 3138 3430 2e33 362c 2d36 3730 2e36 7 1840.36,-670.6\n+0000b590: 3820 3138 3434 2e33 332c 2d36 3639 2e35 8 1844.33,-669.5\n+0000b5a0: 3520 3138 3438 2e32 392c 2d36 3638 2e33 5 1848.29,-668.3\n+0000b5b0: 3222 2f3e 0a3c 706f 6c79 676f 6e20 6669 2\"/>.<polygon fi\n+0000b5c0: 6c6c 3d22 2332 6363 6332 3822 2073 7472 ll=\"#2ccc28\" str\n+0000b5d0: 6f6b 653d 2223 3263 6363 3238 2220 706f oke=\"#2ccc28\" po\n+0000b5e0: 696e 7473 3d22 3138 3439 2e35 382c 2d36 ints=\"1849.58,-6\n+0000b5f0: 3731 2e35 3820 3138 3538 2e30 332c 2d36 71.58 1858.03,-6\n+0000b600: 3635 2e31 3720 3138 3437 2e34 332c 2d36 65.17 1847.43,-6\n+0000b610: 3634 2e39 3220 3138 3439 2e35 382c 2d36 64.92 1849.58,-6\n+0000b620: 3731 2e35 3822 2f3e 0a3c 2f67 3e0a 3c21 71.58\"/>.</g>.<!\n+0000b630: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+0000b640: 6f6d 6163 735f 6d64 7479 7065 7326 2334 omacs_mdtypes\n+0000b650: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000b660: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n+0000b670: 5f66 6f72 6365 735f 6177 6820 2d2d 3e0a _forces_awh -->.\n+0000b680: 3c67 2069 643d 2265 6467 6535 3422 2063 <g id=\"edge54\" c\n+0000b690: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+0000b6a0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+0000b6b0: 726f 6d61 6373 5f6d 6474 7970 6573 2623 romacs_mdtypes&#\n+0000b6c0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000b6d0: 635f 6772 6f6d 6163 735f 6170 706c 6965 c_gromacs_applie\n+0000b6e0: 645f 666f 7263 6573 5f61 7768 3c2f 7469 d_forces_awh</ti\n+0000b6f0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0000b700: 226e 6f6e 6522 2073 7472 6f6b 653d 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de\">.<title>modu\n+0000b8d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+0000b8e0: 7070 6c69 6564 5f66 6f72 6365 733c 2f74 pplied_forces</t\n+0000b8f0: 6974 6c65 3e0a 3c65 6c6c 6970 7365 2066 itle>.<ellipse f\n+0000b900: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+0000b910: 726f 6b65 3d22 626c 6163 6b22 2063 783d roke=\"black\" cx=\n+0000b920: 2238 3234 2e35 3622 2063 793d 222d 3430 \"824.56\" cy=\"-40\n+0000b930: 362e 3636 2220 7278 3d22 3536 2e36 3422 6.66\" rx=\"56.64\"\n+0000b940: 2072 793d 2231 332e 3337 222f 3e0a 3c74 ry=\"13.37\"/>.<t\n+0000b950: 6578 7420 7465 7874 2d61 6e63 686f 723d ext text-anchor=\n+0000b960: 226d 6964 646c 6522 2078 3d22 3832 342e \"middle\" x=\"824.\n+0000b970: 3536 2220 793d 222d 3430 342e 3136 2220 56\" y=\"-404.16\" \n+0000b980: 666f 6e74 2d66 616d 696c 793d 2246 7265 font-family=\"Fre\n+0000b990: 6553 616e 7322 2066 6f6e 742d 7369 7a65 eSans\" font-size\n+0000b9a0: 3d22 3130 2e30 3022 3e61 7070 6c69 6564 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696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n+0000baa0: 7472 6f6b 653d 2272 6564 2220 643d 224d troke=\"red\" d=\"M\n+0000bab0: 3737 312e 3531 2c2d 3430 312e 3931 4336 771.51,-401.91C6\n+0000bac0: 3037 2e39 372c 2d33 3839 2e36 3720 3132 07.97,-389.67 12\n+0000bad0: 322e 3536 2c2d 3334 372e 3738 2031 3232 2.56,-347.78 122\n+0000bae0: 2e35 362c 2d32 3831 2e39 3220 3132 322e .56,-281.92 122.\n+0000baf0: 3536 2c2d 3238 312e 3932 2031 3232 2e35 56,-281.92 122.5\n+0000bb00: 362c 2d32 3831 2e39 3220 3132 322e 3536 6,-281.92 122.56\n+0000bb10: 2c2d 3231 372e 3035 2031 3232 2e35 362c ,-217.05 122.56,\n+0000bb20: 2d31 3830 2e31 3620 3130 372e 3238 2c2d -180.16 107.28,-\n+0000bb30: 3133 392e 3539 2039 362e 3336 2c2d 3131 139.59 96.36,-11\n+0000bb40: 352e 3239 222f 3e0a 3c70 6f6c 7967 6f6e 5.29\"/>.<polygon\n+0000bb50: 2066 696c 6c3d 2272 6564 2220 7374 726f fill=\"red\" stro\n+0000bb60: 6b65 3d22 7265 6422 2070 6f69 6e74 733d ke=\"red\" points=\n+0000bb70: 2239 392e 342c 2d31 3133 2e35 3220 3932 \"99.4,-113.52 92\n+0000bb80: 2c2d 3130 352e 3934 2039 332e 3035 2c2d ,-105.94 93.05,-\n+0000bb90: 3131 362e 3438 2039 392e 342c 2d31 3133 116.48 99.4,-113\n+0000bba0: 2e35 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d .52\"/>.</g>.<!--\n+0000bbb0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+0000bbc0: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+0000bbd0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+0000bbe0: 655f 7372 635f 6772 6f6d 6163 735f 6861 e_src_gromacs_ha\n+0000bbf0: 7264 7761 7265 202d 2d3e 0a3c 6720 6964 rdware -->.<g id\n+0000bc00: 3d22 6564 6765 3634 2220 636c 6173 733d =\"edge64\" class=\n+0000bc10: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+0000bc20: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000bc30: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n+0000bc40: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000bc50: 7372 635f 6772 6f6d 6163 735f 6861 7264 src_gromacs_hard\n+0000bc60: 7761 7265 3c2f 7469 746c 653e 0a3c 7061 ware</title>.<pa\n+0000bc70: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n+0000bc80: 7472 6f6b 653d 2272 6564 2220 643d 224d troke=\"red\" d=\"M\n+0000bc90: 3737 332e 3032 2c2d 3430 302e 3836 4337 773.02,-400.86C7\n+0000bca0: 3333 2e36 352c 2d33 3935 2e32 3520 3637 33.65,-395.25 67\n+0000bcb0: 392e 3431 2c2d 3338 332e 3135 2036 3338 9.41,-383.15 638\n+0000bcc0: 2e35 362c 2d33 3537 2e32 3220 3534 362e .56,-357.22 546.\n+0000bcd0: 3438 2c2d 3239 382e 3736 2035 3338 2e39 48,-298.76 538.9\n+0000bce0: 2c2d 3236 312e 3339 2034 3831 2e35 362c ,-261.39 481.56,\n+0000bcf0: 2d31 3638 2e36 3120 3437 312e 3133 2c2d -168.61 471.13,-\n+0000bd00: 3135 312e 3734 2034 3632 2e33 2c2d 3133 151.74 462.3,-13\n+0000bd10: 3120 3435 362e 3431 2c2d 3131 352e 3536 1 456.41,-115.56\n+0000bd20: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+0000bd30: 6c3d 2272 6564 2220 7374 726f 6b65 3d22 l=\"red\" stroke=\"\n+0000bd40: 7265 6422 2070 6f69 6e74 733d 2234 3539 red\" points=\"459\n+0000bd50: 2e35 362c 2d31 3134 2034 3532 2e38 312c .56,-114 452.81,\n+0000bd60: 2d31 3035 2e38 3320 3435 332c 2d31 3136 -105.83 453,-116\n+0000bd70: 2e34 3220 3435 392e 3536 2c2d 3131 3422 .42 459.56,-114\"\n+0000bd80: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+0000bd90: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000bda0: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n+0000bdb0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000bdc0: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n+0000bdd0: 646c 696e 6520 2d2d 3e0a 3c67 2069 643d dline -->.<g id=\n+0000bde0: 2265 6467 6535 3622 2063 6c61 7373 3d22 \"edge56\" class=\"\n+0000bdf0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+0000be00: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000be10: 5f61 7070 6c69 6564 5f66 6f72 6365 7326 _applied_forces&\n+0000be20: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000be30: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61 rc_gromacs_comma\n+0000be40: 6e64 6c69 6e65 3c2f 7469 746c 653e 0a3c ndline</title>.<\n+0000be50: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0000be60: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+0000be70: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+0000be80: 3d22 352c 3222 2064 3d22 4d38 3434 2e36 =\"5,2\" d=\"M844.6\n+0000be90: 332c 2d34 3139 2e32 3843 3837 322e 3037 3,-419.28C872.07\n+0000bea0: 2c2d 3433 342e 3932 2039 3233 2e30 382c ,-434.92 923.08,\n+0000beb0: 2d34 3633 2e30 3420 3936 382e 3536 2c2d -463.04 968.56,-\n+0000bec0: 3438 322e 3936 2031 3139 372e 342c 2d35 482.96 1197.4,-5\n+0000bed0: 3833 2e32 2031 3438 332e 3432 2c2d 3637 83.2 1483.42,-67\n+0000bee0: 342e 3636 2031 3538 382e 3936 2c2d 3730 4.66 1588.96,-70\n+0000bef0: 372e 3332 222f 3e0a 3c70 6f6c 7967 6f6e 7.32\"/>.<polygon\n+0000bf00: 2066 696c 6c3d 2262 6c61 636b 2220 7374 fill=\"black\" st\n+0000bf10: 726f 6b65 3d22 626c 6163 6b22 2070 6f69 roke=\"black\" poi\n+0000bf20: 6e74 733d 2231 3538 382e 3031 2c2d 3731 nts=\"1588.01,-71\n+0000bf30: 302e 3639 2031 3539 382e 362c 2d37 3130 0.69 1598.6,-710\n+0000bf40: 2e32 3920 3135 3930 2e30 382c 2d37 3034 .29 1590.08,-704\n+0000bf50: 2031 3538 382e 3031 2c2d 3731 302e 3639 1588.01,-710.69\n+0000bf60: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+0000bf70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000bf80: 5f61 7070 6c69 6564 5f66 6f72 6365 7326 _applied_forces&\n+0000bf90: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000bfa0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+0000bfb0: 6573 202d 2d3e 0a3c 6720 6964 3d22 6564 es -->.<g id=\"ed\n+0000bfc0: 6765 3538 2220 636c 6173 733d 2265 6467 ge58\" class=\"edg\n+0000bfd0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+0000bfe0: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n+0000bff0: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n+0000c000: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000c010: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n+0000c020: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0000c030: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0000c040: 3d22 2362 6662 6662 6622 2064 3d22 4d38 =\"#bfbfbf\" d=\"M8\n+0000c050: 3137 2e31 352c 2d34 3230 2e32 4337 3839 17.15,-420.2C789\n+0000c060: 2e36 342c 2d34 3638 2e32 3520 3639 362e .64,-468.25 696.\n+0000c070: 3131 2c2d 3634 352e 3433 2037 3138 2e35 11,-645.43 718.5\n+0000c080: 362c 2d37 3937 2e33 3120 3732 322e 3833 6,-797.31 722.83\n+0000c090: 2c2d 3832 362e 3139 2037 3137 2e31 312c ,-826.19 717.11,\n+0000c0a0: 2d38 3339 2e33 3520 3733 372e 3536 2c2d -839.35 737.56,-\n+0000c0b0: 3836 302e 3138 2037 3634 2e35 342c 2d38 860.18 764.54,-8\n+0000c0c0: 3837 2e36 3820 3830 372e 322c 2d38 3939 87.68 807.2,-899\n+0000c0d0: 2e35 3820 3834 302e 3134 2c2d 3930 342e .58 840.14,-904.\n+0000c0e0: 3732 222f 3e0a 3c70 6f6c 7967 6f6e 2066 72\"/>.<polygon f\n+0000c0f0: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+0000c100: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n+0000c110: 6f69 6e74 733d 2238 3430 2e30 382c 2d39 oints=\"840.08,-9\n+0000c120: 3038 2e32 3520 3835 302e 3436 2c2d 3930 08.25 850.46,-90\n+0000c130: 362e 3137 2038 3431 2e30 352c 2d39 3031 6.17 841.05,-901\n+0000c140: 2e33 3120 3834 302e 3038 2c2d 3930 382e .31 840.08,-908.\n+0000c150: 3235 222f 3e0a 3c2f 673e 0a3c 212d 2d20 25\"/>.</g>.<!-- \n+0000c160: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000c170: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n+0000c180: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+0000c190: 5f73 7263 5f67 726f 6d61 6373 5f6f 7074 _src_gromacs_opt\n+0000c1a0: 696f 6e73 202d 2d3e 0a3c 6720 6964 3d22 ions -->.<g id=\"\n+0000c1b0: 6564 6765 3539 2220 636c 6173 733d 2265 edge59\" class=\"e\n+0000c1c0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+0000c1d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000c1e0: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n+0000c1f0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000c200: 635f 6772 6f6d 6163 735f 6f70 7469 6f6e c_gromacs_option\n+0000c210: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s</title>.<path \n+0000c220: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n+0000c230: 6b65 3d22 626c 6163 6b22 2073 7472 6f6b ke=\"black\" strok\n+0000c240: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+0000c250: 2220 643d 224d 3836 322e 3438 2c2d 3339 \" d=\"M862.48,-39\n+0000c260: 362e 3637 4339 3131 2e31 2c2d 3338 352e 6.67C911.1,-385.\n+0000c270: 3136 2039 3934 2e39 332c 2d33 3635 2e33 16 994.93,-365.3\n+0000c280: 2031 3034 332e 3538 2c2d 3335 332e 3738 1043.58,-353.78\n+0000c290: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+0000c2a0: 6c3d 2262 6c61 636b 2220 7374 726f 6b65 l=\"black\" stroke\n+0000c2b0: 3d22 626c 6163 6b22 2070 6f69 6e74 733d =\"black\" points=\n+0000c2c0: 2231 3034 342e 3438 2c2d 3335 372e 3137 \"1044.48,-357.17\n+0000c2d0: 2031 3035 332e 342c 2d33 3531 2e34 3520 1053.4,-351.45 \n+0000c2e0: 3130 3432 2e38 362c 2d33 3530 2e33 3520 1042.86,-350.35 \n+0000c2f0: 3130 3434 2e34 382c 2d33 3537 2e31 3722 1044.48,-357.17\"\n+0000c300: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n 0000c310: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000c320: 7261 6e64 6f6d 202d 2d3e 0a3c 6720 6964 random -->.<g id\n-0000c330: 3d22 6564 6765 3631 2220 636c 6173 733d =\"edge61\" class=\n-0000c340: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0000c350: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000c360: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n-0000c370: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000c380: 6163 735f 7261 6e64 6f6d 3c2f 7469 746c acs_random</titl\n-0000c390: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0000c3a0: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61 one\" stroke=\"bla\n-0000c3b0: 636b 2220 7374 726f 6b65 2d64 6173 6861 ck\" stroke-dasha\n-0000c3c0: 7272 6179 3d22 352c 3222 2064 3d22 4d31 rray=\"5,2\" d=\"M1\n-0000c3d0: 3536 352e 3232 2c2d 3132 3231 2e30 3443 565.22,-1221.04C\n-0000c3e0: 3137 3033 2e37 392c 2d31 3231 322e 3432 1703.79,-1212.42\n-0000c3f0: 2032 3231 302e 3536 2c2d 3131 3731 2e36 2210.56,-1171.6\n-0000c400: 3320 3232 3130 2e35 362c 2d31 3033 362e 3 2210.56,-1036.\n-0000c410: 3336 2032 3231 302e 3536 2c2d 3130 3336 36 2210.56,-1036\n-0000c420: 2e33 3620 3232 3130 2e35 362c 2d31 3033 .36 2210.56,-103\n-0000c430: 362e 3336 2032 3231 302e 3536 2c2d 3635 6.36 2210.56,-65\n-0000c440: 372e 3134 2032 3231 302e 3536 2c2d 3539 7.14 2210.56,-59\n-0000c450: 382e 3035 2032 3230 372e 3532 2c2d 3532 8.05 2207.52,-52\n-0000c460: 382e 3520 3232 3035 2e37 372c 2d34 3933 8.5 2205.77,-493\n-0000c470: 2e33 3422 2f3e 0a3c 706f 6c79 676f 6e20 .34\"/>.<polygon \n-0000c480: 6669 6c6c 3d22 626c 6163 6b22 2073 7472 fill=\"black\" str\n-0000c490: 6f6b 653d 2262 6c61 636b 2220 706f 696e oke=\"black\" poin\n-0000c4a0: 7473 3d22 3232 3039 2e32 352c 2d34 3933 ts=\"2209.25,-493\n-0000c4b0: 2032 3230 352e 3235 2c2d 3438 332e 3139 2205.25,-483.19\n-0000c4c0: 2032 3230 322e 3236 2c2d 3439 332e 3336 2202.26,-493.36\n-0000c4d0: 2032 3230 392e 3235 2c2d 3439 3322 2f3e 2209.25,-493\"/>\n-0000c4e0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-0000c4f0: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n-0000c500: 7272 656c 6174 696f 6e66 756e 6374 696f rrelationfunctio\n-0000c510: 6e73 202d 2d3e 0a3c 6720 6964 3d22 6e6f ns -->.<g id=\"no\n-0000c520: 6465 3235 2220 636c 6173 733d 226e 6f64 de25\" class=\"nod\n-0000c530: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-0000c540: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n-0000c550: 7272 656c 6174 696f 6e66 756e 6374 696f rrelationfunctio\n-0000c560: 6e73 3c2f 7469 746c 653e 0a3c 6720 6964 ns</title>.<g id\n-0000c570: 3d22 615f 6e6f 6465 3235 223e 3c61 2078 =\"a_node25\"><a x\n-0000c580: 6c69 6e6b 3a68 7265 663d 2267 726f 7570 link:href=\"group\n-0000c590: 5f5f 6d6f 6475 6c65 5f5f 636f 7272 656c __module__correl\n-0000c5a0: 6174 696f 6e66 756e 6374 696f 6e73 2e78 ationfunctions.x\n-0000c5b0: 6874 6d6c 2220 7461 7267 6574 3d22 5f74 html\" target=\"_t\n-0000c5c0: 6f70 2220 786c 696e 6b3a 7469 746c 653d op\" xlink:title=\n-0000c5d0: 2263 6f72 7265 6c61 7469 6f6e 6675 6e63 \"correlationfunc\n-0000c5e0: 7469 6f6e 7322 3e0a 3c65 6c6c 6970 7365 tions\">.<ellipse\n-0000c5f0: 2066 696c 6c3d 2223 6666 6363 6363 2220 fill=\"#ffcccc\" \n-0000c600: 7374 726f 6b65 3d22 626c 6163 6b22 2063 stroke=\"black\" c\n-0000c610: 783d 2231 3431 342e 3536 2220 6379 3d22 x=\"1414.56\" cy=\"\n-0000c620: 2d31 3136 312e 3122 2072 783d 2237 312e -1161.1\" rx=\"71.\n-0000c630: 3334 2220 7279 3d22 3133 2e33 3722 2f3e 34\" ry=\"13.37\"/>\n-0000c640: 0a3c 7465 7874 2074 6578 742d 616e 6368 .<text text-anch\n-0000c650: 6f72 3d22 6d69 6464 6c65 2220 783d 2231 or=\"middle\" x=\"1\n-0000c660: 3431 342e 3536 2220 793d 222d 3131 3538 414.56\" y=\"-1158\n-0000c670: 2e36 2220 666f 6e74 2d66 616d 696c 793d .6\" font-family=\n-0000c680: 2246 7265 6553 616e 7322 2066 6f6e 742d \"FreeSans\" font-\n-0000c690: 7369 7a65 3d22 3130 2e30 3022 3e63 6f72 size=\"10.00\">cor\n-0000c6a0: 7265 6c61 7469 6f6e 6675 6e63 7469 6f6e relationfunction\n-0000c6b0: 733c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f s</text>.</a>.</\n-0000c6c0: 673e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 g>.</g>.<!-- mod\n-0000c6d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000c6e0: 676d 7861 6e61 2623 3435 3b26 6774 3b6d gmxana->m\n-0000c6f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000c700: 735f 636f 7272 656c 6174 696f 6e66 756e s_correlationfun\n-0000c710: 6374 696f 6e73 202d 2d3e 0a3c 6720 6964 ctions -->.<g id\n-0000c720: 3d22 6564 6765 3537 2220 636c 6173 733d =\"edge57\" class=\n-0000c730: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0000c740: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000c750: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n-0000c760: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000c770: 6163 735f 636f 7272 656c 6174 696f 6e66 acs_correlationf\n-0000c780: 756e 6374 696f 6e73 3c2f 7469 746c 653e unctions</title>\n-0000c790: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .<path fill=\"non\n-0000c7a0: 6522 2073 7472 6f6b 653d 2223 3238 3266 e\" stroke=\"#282f\n-0000c7b0: 6363 2220 7374 726f 6b65 2d64 6173 6861 cc\" stroke-dasha\n-0000c7c0: 7272 6179 3d22 352c 3222 2064 3d22 4d31 rray=\"5,2\" d=\"M1\n-0000c7d0: 3531 302e 3838 2c2d 3132 3132 2e36 3443 510.88,-1212.64C\n-0000c7e0: 3134 3933 2e31 372c 2d31 3230 332e 3335 1493.17,-1203.35\n-0000c7f0: 2031 3436 362e 3832 2c2d 3131 3839 2e35 1466.82,-1189.5\n-0000c800: 3220 3134 3436 2e31 362c 2d31 3137 382e 2 1446.16,-1178.\n-0000c810: 3638 222f 3e0a 3c70 6f6c 7967 6f6e 2066 68\"/>.<polygon f\n-0000c820: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n-0000c830: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n-0000c840: 6f69 6e74 733d 2231 3434 372e 362c 2d31 oints=\"1447.6,-1\n-0000c850: 3137 352e 3438 2031 3433 372e 3132 2c2d 175.48 1437.12,-\n-0000c860: 3131 3733 2e39 3320 3134 3434 2e33 352c 1173.93 1444.35,\n-0000c870: 2d31 3138 312e 3638 2031 3434 372e 362c -1181.68 1447.6,\n-0000c880: 2d31 3137 352e 3438 222f 3e0a 3c2f 673e -1175.48\"/>.</g>\n-0000c890: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-0000c8a0: 5f67 726f 6d61 6373 5f67 6d78 616e 6126 _gromacs_gmxana&\n-0000c8b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0000c8c0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-0000c8d0: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467 b -->.<g id=\"edg\n-0000c8e0: 6536 3222 2063 6c61 7373 3d22 6564 6765 e62\" class=\"edge\n-0000c8f0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-0000c900: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-0000c910: 616e 6126 2334 353b 2667 743b 6d6f 6475 ana->modu\n-0000c920: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-0000c930: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib</title>.<p\n-0000c940: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n-0000c950: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n-0000c960: 2064 3d22 4d31 3439 352e 3339 2c2d 3132 d=\"M1495.39,-12\n-0000c970: 3232 2e32 4331 3336 392e 3231 2c2d 3132 22.2C1369.21,-12\n-0000c980: 3139 2e32 3120 3933 392e 372c 2d31 3230 19.21 939.7,-120\n-0000c990: 362e 3832 2038 3036 2e35 362c 2d31 3137 6.82 806.56,-117\n-0000c9a0: 342e 3533 2036 3730 2e30 342c 2d31 3134 4.53 670.04,-114\n-0000c9b0: 312e 3432 2036 3235 2e38 352c 2d31 3133 1.42 625.85,-113\n-0000c9c0: 372e 3035 2035 3136 2e35 362c 2d31 3034 7.05 516.56,-104\n-0000c9d0: 382e 3739 2033 3431 2e35 352c 2d39 3037 8.79 341.55,-907\n-0000c9e0: 2e34 3620 3330 382e 3131 2c2d 3832 392e .46 308.11,-829.\n-0000c9f0: 3738 2032 3636 2e35 362c 2d36 3038 2e37 78 266.56,-608.7\n-0000ca00: 2032 3438 2e38 362c 2d35 3134 2e35 3420 248.86,-514.54 \n-0000ca10: 3235 392e 382c 2d34 3839 2e30 3220 3236 259.8,-489.02 26\n-0000ca20: 302e 3536 2c2d 3339 332e 3232 2032 3631 0.56,-393.22 261\n-0000ca30: 2e34 352c 2d32 3831 2e31 3720 3139 382e .45,-281.17 198.\n-0000ca40: 3234 2c2d 3231 392e 3838 2032 3738 2e35 24,-219.88 278.5\n-0000ca50: 362c 2d31 3431 2e37 3420 3332 342e 3431 6,-141.74 324.41\n-0000ca60: 2c2d 3937 2e31 3420 3531 392e 3638 2c2d ,-97.14 519.68,-\n-0000ca70: 3932 2e35 3320 3630 362e 3537 2c2d 3932 92.53 606.57,-92\n-0000ca80: 2e37 3522 2f3e 0a3c 706f 6c79 676f 6e20 .75\"/>.<polygon \n-0000ca90: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n-0000caa0: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n-0000cab0: 706f 696e 7473 3d22 3630 362e 362c 2d39 points=\"606.6,-9\n-0000cac0: 362e 3235 2036 3136 2e36 322c 2d39 322e 6.25 616.62,-92.\n-0000cad0: 3820 3630 362e 3633 2c2d 3839 2e32 3520 8 606.63,-89.25 \n-0000cae0: 3630 362e 362c 2d39 362e 3235 222f 3e0a 606.6,-96.25\"/>.\n-0000caf0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-0000cb00: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-0000cb10: 616e 6126 2334 353b 2667 743b 6d6f 6475 ana->modu\n-0000cb20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-0000cb30: 7261 6a65 6374 6f72 7920 2d2d 3e0a 3c67 rajectory -->.<g\n-0000cb40: 2069 643d 2265 6467 6535 3622 2063 6c61 id=\"edge56\" cla\n-0000cb50: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-0000cb60: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-0000cb70: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n-0000cb80: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0000cb90: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n-0000cba0: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y</title>.<path \n-0000cbb0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n-0000cbc0: 6b65 3d22 2362 6662 6662 6622 2064 3d22 ke=\"#bfbfbf\" d=\"\n-0000cbd0: 4d31 3535 372e 3536 2c2d 3132 3135 2e31 M1557.56,-1215.1\n-0000cbe0: 3743 3136 3035 2e34 342c 2d31 3230 302e 7C1605.44,-1200.\n-0000cbf0: 3435 2031 3730 362e 3931 2c2d 3131 3635 45 1706.91,-1165\n-0000cc00: 2e31 3820 3137 3738 2e35 362c 2d31 3131 .18 1778.56,-111\n-0000cc10: 312e 3636 2031 3930 302e 3939 2c2d 3130 1.66 1900.99,-10\n-0000cc20: 3230 2e32 3220 3230 3033 2e32 392c 2d38 20.22 2003.29,-8\n-0000cc30: 3632 2e39 3620 3230 3337 2e39 352c 2d38 62.96 2037.95,-8\n-0000cc40: 3036 2e31 3422 2f3e 0a3c 706f 6c79 676f 06.14\"/>.<polygo\n-0000cc50: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n-0000cc60: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0000cc70: 2220 706f 696e 7473 3d22 3230 3431 2e31 \" points=\"2041.1\n-0000cc80: 2c2d 3830 372e 3639 2032 3034 332e 3237 ,-807.69 2043.27\n-0000cc90: 2c2d 3739 372e 3332 2032 3033 352e 3131 ,-797.32 2035.11\n-0000cca0: 2c2d 3830 342e 3037 2032 3034 312e 312c ,-804.07 2041.1,\n-0000ccb0: 2d38 3037 2e36 3922 2f3e 0a3c 2f67 3e0a -807.69\"/>.</g>.\n-0000ccc0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-0000ccd0: 6772 6f6d 6163 735f 676d 7861 6e61 2623 gromacs_gmxana&#\n-0000cce0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000ccf0: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n-0000cd00: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n-0000cd10: 6536 3322 2063 6c61 7373 3d22 6564 6765 e63\" class=\"edge\n-0000cd20: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-0000cd30: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-0000cd40: 616e 6126 2334 353b 2667 743b 6d6f 6475 ana->modu\n-0000cd50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0000cd60: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes</title>.<\n-0000cd70: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0000cd80: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0000cd90: 2220 643d 224d 3134 3935 2e31 392c 2d31 \" d=\"M1495.19,-1\n-0000cda0: 3232 322e 3537 4331 3337 362e 3933 2c2d 222.57C1376.93,-\n-0000cdb0: 3132 3230 2e38 3920 3939 362e 3235 2c2d 1220.89 996.25,-\n-0000cdc0: 3132 3132 2e35 3920 3838 302e 3536 2c2d 1212.59 880.56,-\n-0000cdd0: 3131 3734 2e35 3320 3833 302e 3639 2c2d 1174.53 830.69,-\n-0000cde0: 3131 3538 2e31 3320 3830 352e 3935 2c2d 1158.13 805.95,-\n-0000cdf0: 3131 3537 2e36 3120 3738 302e 3536 2c2d 1157.61 780.56,-\n-0000ce00: 3131 3131 2e36 3620 3734 302e 3438 2c2d 1111.66 740.48,-\n-0000ce10: 3130 3339 2e31 3220 3730 322e 3739 2c2d 1039.12 702.79,-\n-0000ce20: 3131 3433 2e35 3920 3130 3833 2e35 362c 1143.59 1083.56,\n-0000ce30: 2d38 3333 2e33 3120 3131 3033 2e34 322c -833.31 1103.42,\n-0000ce40: 2d38 3137 2e31 3320 3131 3137 2e34 362c -817.13 1117.46,\n-0000ce50: 2d38 3230 2e34 2031 3132 382e 3536 2c2d -820.4 1128.56,-\n-0000ce60: 3739 372e 3331 2031 3133 362e 3531 2c2d 797.31 1136.51,-\n-0000ce70: 3738 302e 3737 2031 3133 332e 3639 2c2d 780.77 1133.69,-\n-0000ce80: 3735 392e 3835 2031 3132 392e 352c 2d37 759.85 1129.5,-7\n-0000ce90: 3434 2e32 3622 2f3e 0a3c 706f 6c79 676f 44.26\"/>.<polygo\n-0000cea0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n-0000ceb0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0000cec0: 2220 706f 696e 7473 3d22 3131 3332 2e37 \" points=\"1132.7\n-0000ced0: 362c 2d37 3432 2e39 3720 3131 3236 2e34 6,-742.97 1126.4\n-0000cee0: 392c 2d37 3334 2e34 3320 3131 3236 2e30 9,-734.43 1126.0\n-0000cef0: 372c 2d37 3435 2e30 3220 3131 3332 2e37 7,-745.02 1132.7\n-0000cf00: 362c 2d37 3432 2e39 3722 2f3e 0a3c 2f67 6,-742.97\"/>.</g\n-0000cf10: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-0000cf20: 635f 6772 6f6d 6163 735f 6666 7420 2d2d c_gromacs_fft --\n-0000cf30: 3e0a 3c67 2069 643d 226e 6f64 6533 3922 >.<g id=\"node39\"\n-0000cf40: 2063 6c61 7373 3d22 6e6f 6465 223e 0a3c class=\"node\">.<\n-0000cf50: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0000cf60: 5f67 726f 6d61 6373 5f66 6674 3c2f 7469 _gromacs_fft</ti\n-0000cf70: 746c 653e 0a3c 656c 6c69 7073 6520 6669 tle>.<ellipse fi\n-0000cf80: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n-0000cf90: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n-0000cfa0: 3139 3530 2e35 3622 2063 793d 222d 3430 1950.56\" cy=\"-40\n-0000cfb0: 362e 3636 2220 7278 3d22 3237 2220 7279 6.66\" rx=\"27\" ry\n-0000cfc0: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874 =\"13.37\"/>.<text\n-0000cfd0: 2074 6578 742d 616e 6368 6f72 3d22 6d69 text-anchor=\"mi\n-0000cfe0: 6464 6c65 2220 783d 2231 3935 302e 3536 ddle\" x=\"1950.56\n-0000cff0: 2220 793d 222d 3430 342e 3136 2220 666f \" y=\"-404.16\" fo\n-0000d000: 6e74 2d66 616d 696c 793d 2246 7265 6553 nt-family=\"FreeS\n-0000d010: 616e 7322 2066 6f6e 742d 7369 7a65 3d22 ans\" font-size=\"\n-0000d020: 3130 2e30 3022 3e66 6674 3c2f 7465 7874 10.00\">fft</text\n-0000d030: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n-0000d040: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-0000d050: 6d78 616e 6126 2334 353b 2667 743b 6d6f mxana->mo\n-0000d060: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000d070: 5f66 6674 202d 2d3e 0a3c 6720 6964 3d22 _fft -->.<g id=\"\n-0000d080: 6564 6765 3630 2220 636c 6173 733d 2265 edge60\" class=\"e\n-0000d090: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-0000d0a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000d0b0: 676d 7861 6e61 2623 3435 3b26 6774 3b6d gmxana->m\n-0000d0c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000d0d0: 735f 6666 743c 2f74 6974 6c65 3e0a 3c70 s_fft</title>.<p\n-0000d0e0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n-0000d0f0: 7374 726f 6b65 3d22 626c 6163 6b22 2073 stroke=\"black\" s\n-0000d100: 7472 6f6b 652d 6461 7368 6172 7261 793d troke-dasharray=\n-0000d110: 2235 2c32 2220 643d 224d 3135 3630 2e38 \"5,2\" d=\"M1560.8\n-0000d120: 372c 2d31 3231 362e 3838 4331 3539 352e 7,-1216.88C1595.\n-0000d130: 3231 2c2d 3132 3039 2e33 3920 3136 3532 21,-1209.39 1652\n-0000d140: 2e33 392c 2d31 3139 352e 3038 2031 3639 .39,-1195.08 169\n-0000d150: 382e 3536 2c2d 3131 3734 2e35 3320 3139 8.56,-1174.53 19\n-0000d160: 3232 2e34 2c2d 3130 3734 2e39 3120 3230 22.4,-1074.91 20\n-0000d170: 3131 2e31 332c 2d31 3032 352e 3432 2032 11.13,-1025.42 2\n-0000d180: 3130 302e 3536 2c2d 3739 372e 3331 2032 100.56,-797.31 2\n-0000d190: 3132 392e 322c 2d37 3234 2e32 3620 3139 129.2,-724.26 19\n-0000d1a0: 3730 2e35 362c 2d37 3530 2e33 3420 3139 70.56,-750.34 19\n-0000d1b0: 3730 2e35 362c 2d36 3539 2e31 3420 3139 70.56,-659.14 19\n-0000d1c0: 3730 2e35 362c 2d36 3539 2e31 3420 3139 70.56,-659.14 19\n-0000d1d0: 3730 2e35 362c 2d36 3539 2e31 3420 3139 70.56,-659.14 19\n-0000d1e0: 3730 2e35 362c 2d35 3331 2e34 2031 3937 70.56,-531.4 197\n-0000d1f0: 302e 3536 2c2d 3439 352e 3537 2031 3936 0.56,-495.57 196\n-0000d200: 322e 3239 2c2d 3435 342e 3634 2031 3935 2.29,-454.64 195\n-0000d210: 362e 3338 2c2d 3433 3022 2f3e 0a3c 706f 6.38,-430\"/>.<po\n-0000d220: 6c79 676f 6e20 6669 6c6c 3d22 626c 6163 lygon fill=\"blac\n-0000d230: 6b22 2073 7472 6f6b 653d 2262 6c61 636b k\" stroke=\"black\n-0000d240: 2220 706f 696e 7473 3d22 3139 3539 2e37 \" points=\"1959.7\n-0000d250: 362c 2d34 3239 2e30 3620 3139 3533 2e39 6,-429.06 1953.9\n-0000d260: 352c 2d34 3230 2e31 3920 3139 3532 2e39 5,-420.19 1952.9\n-0000d270: 362c 2d34 3330 2e37 3420 3139 3539 2e37 6,-430.74 1959.7\n-0000d280: 362c 2d34 3239 2e30 3622 2f3e 0a3c 2f67 6,-429.06\"/>.</g\n-0000d290: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-0000d2a0: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n-0000d2b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0000d2c0: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n-0000d2d0: 6564 5f66 6f72 6365 7320 2d2d 3e0a 3c67 ed_forces -->.<g\n-0000d2e0: 2069 643d 2265 6467 6535 3822 2063 6c61 id=\"edge58\" cla\n-0000d2f0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-0000d300: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-0000d310: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n-0000d320: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0000d330: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n-0000d340: 7263 6573 3c2f 7469 746c 653e 0a3c 7061 rces</title>.<pa\n-0000d350: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n-0000d360: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n-0000d370: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n-0000d380: 3d22 352c 3222 2064 3d22 4d31 3536 352e =\"5,2\" d=\"M1565.\n-0000d390: 3838 2c2d 3132 3232 2e35 3943 3136 3435 88,-1222.59C1645\n-0000d3a0: 2e38 332c 2d31 3232 312e 3036 2031 3834 .83,-1221.06 184\n-0000d3b0: 362e 3331 2c2d 3132 3133 2e33 2032 3030 6.31,-1213.3 200\n-0000d3c0: 382e 3536 2c2d 3131 3734 2e35 3320 3230 8.56,-1174.53 20\n-0000d3d0: 3834 2e30 382c 2d31 3135 362e 3439 2032 84.08,-1156.49 2\n-0000d3e0: 3131 302e 3638 2c2d 3131 3539 2e38 3520 110.68,-1159.85 \n-0000d3f0: 3231 3731 2e35 362c 2d31 3131 312e 3636 2171.56,-1111.66\n-0000d400: 2032 3236 312e 352c 2d31 3034 302e 3437 2261.5,-1040.47\n-0000d410: 2032 3331 302e 3536 2c2d 3832 372e 3633 2310.56,-827.63\n-0000d420: 2032 3331 302e 3536 2c2d 3738 342e 3838 2310.56,-784.88\n-0000d430: 2032 3331 302e 3536 2c2d 3738 342e 3838 2310.56,-784.88\n-0000d440: 2032 3331 302e 3536 2c2d 3738 342e 3838 2310.56,-784.88\n-0000d450: 2032 3331 302e 3536 2c2d 3635 372e 3134 2310.56,-657.14\n-0000d460: 2032 3331 302e 3536 2c2d 3537 332e 3732 2310.56,-573.72\n-0000d470: 2032 3333 302e 3536 2c2d 3535 332e 3934 2330.56,-553.94\n-0000d480: 2032 3333 302e 3536 2c2d 3437 302e 3533 2330.56,-470.53\n-0000d490: 2032 3333 302e 3536 2c2d 3437 302e 3533 2330.56,-470.53\n-0000d4a0: 2032 3333 302e 3536 2c2d 3437 302e 3533 2330.56,-470.53\n-0000d4b0: 2032 3333 302e 3536 2c2d 3334 322e 3739 2330.56,-342.79\n-0000d4c0: 2032 3333 302e 3536 2c2d 3237 342e 3134 2330.56,-274.14\n-0000d4d0: 2032 3331 362e 3631 2c2d 3234 352e 3632 2316.61,-245.62\n-0000d4e0: 2032 3236 312e 3536 2c2d 3230 342e 3631 2261.56,-204.61\n-0000d4f0: 2032 3233 352e 3031 2c2d 3138 342e 3833 2235.01,-184.83\n-0000d500: 2032 3139 392e 3739 2c2d 3137 322e 3733 2199.79,-172.73\n-0000d510: 2032 3137 312e 3139 2c2d 3136 352e 3536 2171.19,-165.56\n-0000d520: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-0000d530: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n-0000d540: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n-0000d550: 6e74 733d 2232 3137 312e 3931 2c2d 3136 nts=\"2171.91,-16\n-0000d560: 322e 3134 2032 3136 312e 3337 2c2d 3136 2.14 2161.37,-16\n-0000d570: 332e 3233 2032 3137 302e 3239 2c2d 3136 3.23 2170.29,-16\n-0000d580: 382e 3935 2032 3137 312e 3931 2c2d 3136 8.95 2171.91,-16\n-0000d590: 322e 3134 222f 3e0a 3c2f 673e 0a3c 212d 2.14\"/>.</g>.<!-\n-0000d5a0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-0000d5b0: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n-0000d5c0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0000d5d0: 726f 6d61 6373 5f6d 646c 6962 202d 2d3e romacs_mdlib -->\n-0000d5e0: 0a3c 6720 6964 3d22 6564 6765 3535 2220 .<g id=\"edge55\" \n-0000d5f0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-0000d600: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-0000d610: 6772 6f6d 6163 735f 676d 7861 6e61 2623 gromacs_gmxana&#\n-0000d620: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000d630: 635f 6772 6f6d 6163 735f 6d64 6c69 623c c_gromacs_mdlib<\n-0000d640: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-0000d650: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0000d660: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n-0000d670: 3533 322e 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9,-929.44 1505.5\n-0000d760: 332c 2d39 3232 2e36 3820 3135 3037 2e36 3,-922.68 1507.6\n-0000d770: 392c 2d39 3333 2e30 3520 3135 3133 2e36 9,-933.05 1513.6\n-0000d780: 392c 2d39 3239 2e34 3422 2f3e 0a3c 2f67 9,-929.44\"/>.</g\n-0000d790: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-0000d7a0: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n-0000d7b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0000d7c0: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n-0000d7d0: 6965 645f 666f 7263 6573 5f61 7768 202d ied_forces_awh -\n-0000d7e0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3635 ->.<g id=\"edge65\n-0000d7f0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-0000d800: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-0000d810: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n-0000d820: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0000d830: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n-0000d840: 6965 645f 666f 7263 6573 5f61 7768 3c2f ied_forces_awh</\n-0000d850: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0000d860: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0000d870: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-0000d880: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-0000d890: 2064 3d22 4d31 3532 392e 3738 2c2d 3132 d=\"M1529.78,-12\n-0000d8a0: 3130 2e34 3243 3135 3236 2e39 322c 2d31 10.42C1526.92,-1\n-0000d8b0: 3137 312e 3220 3135 3134 2e36 372c 2d31 171.2 1514.67,-1\n-0000d8c0: 3034 382e 3232 2031 3436 392e 3536 2c2d 048.22 1469.56,-\n-0000d8d0: 3935 392e 3035 2031 3434 382e 3937 2c2d 959.05 1448.97,-\n-0000d8e0: 3931 382e 3336 2031 3430 372e 3936 2c2d 918.36 1407.96,-\n-0000d8f0: 3838 332e 3336 2031 3338 312e 3937 2c2d 883.36 1381.97,-\n-0000d900: 3836 332e 3937 222f 3e0a 3c70 6f6c 7967 863.97\"/>.<polyg\n-0000d910: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n-0000d920: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n-0000d930: 6322 2070 6f69 6e74 733d 2231 3338 332e c\" points=\"1383.\n-0000d940: 3932 2c2d 3836 312e 3036 2031 3337 332e 92,-861.06 1373.\n-0000d950: 3738 2c2d 3835 3820 3133 3739 2e38 2c2d 78,-858 1379.8,-\n-0000d960: 3836 362e 3732 2031 3338 332e 3932 2c2d 866.72 1383.92,-\n-0000d970: 3836 312e 3036 222f 3e0a 3c2f 673e 0a3c 861.06\"/>.</g>.<\n-0000d980: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0000d990: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n-0000d9a0: 6e6d 656e 7426 2334 353b 2667 743b 6d6f nment->mo\n-0000d9b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000d9c0: 5f68 6172 6477 6172 6520 2d2d 3e0a 3c67 _hardware -->.<g\n-0000d9d0: 2069 643d 2265 6467 6537 3322 2063 6c61 id=\"edge73\" cla\n-0000d9e0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-0000d9f0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-0000da00: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n-0000da10: 656e 7426 2334 353b 2667 743b 6d6f 6475 ent->modu\n-0000da20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68 le_src_gromacs_h\n-0000da30: 6172 6477 6172 653c 2f74 6974 6c65 3e0a ardware</title>.\n-0000da40: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n-0000da50: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n-0000da60: 6622 2064 3d22 4d31 3138 382e 3832 2c2d f\" d=\"M1188.82,-\n-0000da70: 3531 382e 3934 4331 3139 322e 3136 2c2d 518.94C1192.16,-\n-0000da80: 3530 332e 3135 2031 3139 392e 3537 2c2d 503.15 1199.57,-\n-0000da90: 3437 352e 3632 2031 3231 332e 3536 2c2d 475.62 1213.56,-\n-0000daa0: 3435 362e 3039 2031 3234 332e 3638 2c2d 456.09 1243.68,-\n-0000dab0: 3431 342e 3035 2031 3239 332e 3837 2c2d 414.05 1293.87,-\n-0000dac0: 3337 392e 3620 3133 3235 2e32 362c 2d33 379.6 1325.26,-3\n-0000dad0: 3630 2e36 3622 2f3e 0a3c 706f 6c79 676f 60.66\"/>.<polygo\n-0000dae0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n-0000daf0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0000db00: 2220 706f 696e 7473 3d22 3133 3237 2e31 \" points=\"1327.1\n-0000db10: 352c 2d33 3633 2e36 3120 3133 3333 2e39 5,-363.61 1333.9\n-0000db20: 372c 2d33 3535 2e35 3120 3133 3233 2e35 7,-355.51 1323.5\n-0000db30: 382c 2d33 3537 2e35 3820 3133 3237 2e31 8,-357.58 1327.1\n-0000db40: 352c 2d33 3633 2e36 3122 2f3e 0a3c 2f67 5,-363.61\"/>.</g\n-0000db50: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-0000db60: 635f 6772 6f6d 6163 735f 7461 736b 6173 c_gromacs_taskas\n-0000db70: 7369 676e 6d65 6e74 2623 3435 3b26 6774 signment->\n-0000db80: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000db90: 6163 735f 6573 7365 6e74 6961 6c64 796e acs_essentialdyn\n-0000dba0: 616d 6963 7320 2d2d 3e0a 3c67 2069 643d amics -->.<g id=\n-0000dbb0: 2265 6467 6536 3622 2063 6c61 7373 3d22 \"edge66\" class=\"\n-0000dbc0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-0000dbd0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000dbe0: 5f74 6173 6b61 7373 6967 6e6d 656e 7426 _taskassignment&\n-0000dbf0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0000dc00: 7263 5f67 726f 6d61 6373 5f65 7373 656e rc_gromacs_essen\n-0000dc10: 7469 616c 6479 6e61 6d69 6373 3c2f 7469 tialdynamics</ti\n-0000dc20: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0000dc30: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0000dc40: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-0000dc50: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-0000dc60: 3d22 4d31 3133 312e 362c 2d35 3236 2e35 =\"M1131.6,-526.5\n-0000dc70: 3743 3130 3037 2e30 362c 2d35 3135 2e36 7C1007.06,-515.6\n-0000dc80: 3320 3730 332e 3434 2c2d 3438 382e 3936 3 703.44,-488.96\n-0000dc90: 2035 3634 2e37 362c 2d34 3736 2e37 3822 564.76,-476.78\"\n-0000dca0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-0000dcb0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-0000dcc0: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n-0000dcd0: 7473 3d22 3536 342e 3933 2c2d 3437 332e ts=\"564.93,-473.\n-0000dce0: 3238 2035 3534 2e36 362c 2d34 3735 2e38 28 554.66,-475.8\n-0000dcf0: 3920 3536 342e 3332 2c2d 3438 302e 3235 9 564.32,-480.25\n-0000dd00: 2035 3634 2e39 332c 2d34 3733 2e32 3822 564.93,-473.28\"\n-0000dd10: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-0000dd20: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000dd30: 7461 736b 6173 7369 676e 6d65 6e74 2623 taskassignment&#\n-0000dd40: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000dd50: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n-0000dd60: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-0000dd70: 3731 2220 636c 6173 733d 2265 6467 6522 71\" class=\"edge\"\n-0000dd80: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-0000dd90: 7372 635f 6772 6f6d 6163 735f 7461 736b src_gromacs_task\n-0000dda0: 6173 7369 676e 6d65 6e74 2623 3435 3b26 assignment-&\n-0000ddb0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0000ddc0: 6f6d 6163 735f 646f 6d64 6563 3c2f 7469 omacs_domdec</ti\n-0000ddd0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0000dde0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0000ddf0: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-0000de00: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-0000de10: 3d22 4d31 3137 352e 3932 2c2d 3534 352e =\"M1175.92,-545.\n-0000de20: 3635 4331 3135 392e 3433 2c2d 3536 342e 65C1159.43,-564.\n-0000de30: 3434 2031 3132 382e 322c 2d35 3939 2e31 44 1128.2,-599.1\n-0000de40: 3720 3131 3134 2e35 362c 2d36 3038 2e37 7 1114.56,-608.7\n-0000de50: 2031 3039 312e 3539 2c2d 3632 342e 3735 1091.59,-624.75\n-0000de60: 2031 3036 322e 3435 2c2d 3633 372e 3231 1062.45,-637.21\n-0000de70: 2031 3033 392e 3739 2c2d 3634 352e 3438 1039.79,-645.48\n-0000de80: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-0000de90: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n-0000dea0: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n-0000deb0: 6e74 733d 2231 3033 382e 3436 2c2d 3634 nts=\"1038.46,-64\n-0000dec0: 322e 3233 2031 3033 302e 322c 2d36 3438 2.23 1030.2,-648\n-0000ded0: 2e38 3720 3130 3430 2e37 392c 2d36 3438 .87 1040.79,-648\n-0000dee0: 2e38 3320 3130 3338 2e34 362c 2d36 3432 .83 1038.46,-642\n-0000def0: 2e32 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d .23\"/>.</g>.<!--\n-0000df00: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-0000df10: 6163 735f 7461 736b 6173 7369 676e 6d65 acs_taskassignme\n-0000df20: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c nt->modul\n-0000df30: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n-0000df40: 755f 7574 696c 7320 2d2d 3e0a 3c67 2069 u_utils -->.<g i\n-0000df50: 643d 2265 6467 6537 3522 2063 6c61 7373 d=\"edge75\" class\n-0000df60: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n-0000df70: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000df80: 6373 5f74 6173 6b61 7373 6967 6e6d 656e cs_taskassignmen\n-0000df90: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n-0000dfa0: 5f73 7263 5f67 726f 6d61 6373 5f67 7075 _src_gromacs_gpu\n-0000dfb0: 5f75 7469 6c73 3c2f 7469 746c 653e 0a3c _utils</title>.<\n-0000dfc0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0000dfd0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-0000dfe0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-0000dff0: 6179 3d22 352c 3222 2064 3d22 4d31 3138 ay=\"5,2\" d=\"M118\n-0000e000: 362e 3232 2c2d 3531 382e 3936 4331 3138 6.22,-518.96C118\n-0000e010: 362e 3231 2c2d 3530 332e 3636 2031 3138 6.21,-503.66 118\n-0000e020: 372e 3533 2c2d 3437 372e 3132 2031 3139 7.53,-477.12 119\n-0000e030: 352e 3536 2c2d 3435 362e 3039 2031 3231 5.56,-456.09 121\n-0000e040: 392e 3839 2c2d 3339 322e 3337 2031 3232 9.89,-392.37 122\n-0000e050: 392e 3636 2c2d 3337 322e 3135 2031 3238 9.66,-372.15 128\n-0000e060: 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</title>.<path f\n-0000e5d0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n-0000e5e0: 653d 2223 3238 3266 6363 2220 7374 726f e=\"#282fcc\" stro\n-0000e5f0: 6b65 2d64 6173 6861 7272 6179 3d22 352c ke-dasharray=\"5,\n-0000e600: 3222 2064 3d22 4d31 3137 392e 3335 2c2d 2\" d=\"M1179.35,-\n-0000e610: 3534 352e 3734 4331 3136 392e 3835 2c2d 545.74C1169.85,-\n-0000e620: 3536 312e 3432 2031 3135 322e 3034 2c2d 561.42 1152.04,-\n-0000e630: 3538 382e 3832 2031 3133 322e 3536 2c2d 588.82 1132.56,-\n-0000e640: 3630 382e 3720 3130 3939 2e39 322c 2d36 608.7 1099.92,-6\n-0000e650: 3432 2e30 3120 3130 3836 2e38 392c 2d36 42.01 1086.89,-6\n-0000e660: 3435 2e30 3220 3130 3438 2e35 362c 2d36 45.02 1048.56,-6\n-0000e670: 3731 2e35 3720 3939 372e 3832 2c2d 3730 71.57 997.82,-70\n-0000e680: 362e 3732 2039 3336 2e36 352c 2d37 3434 6.72 936.65,-744\n-0000e690: 2e39 3220 3930 322e 3032 2c2d 3736 362e .92 902.02,-766.\n-0000e6a0: 3138 222f 3e0a 3c70 6f6c 7967 6f6e 2066 18\"/>.<polygon 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756c 655f 7372 635f 6772 6f6d >module_src_grom\n-0000e7a0: 6163 735f 7461 736b 6173 7369 676e 6d65 acs_taskassignme\n-0000e7b0: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c nt->modul\n-0000e7c0: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n-0000e7d0: 7374 6564 5f66 6f72 6365 733c 2f74 6974 sted_forces</tit\n-0000e7e0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0000e7f0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-0000e800: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n-0000e810: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-0000e820: 224d 3131 3932 2e38 352c 2d35 3138 2e38 \"M1192.85,-518.8\n-0000e830: 3543 3132 3033 2e31 342c 2d34 3938 2e35 5C1203.14,-498.5\n-0000e840: 3420 3132 3232 2e39 372c 2d34 3630 2e33 4 1222.97,-460.3\n-0000e850: 2031 3232 382e 3536 2c2d 3435 362e 3039 1228.56,-456.09\n-0000e860: 2031 3338 322e 3337 2c2d 3334 302e 3131 1382.37,-340.11\n-0000e870: 2031 3436 372e 3533 2c2d 3431 372e 3320 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3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000e970: 635f 6772 6f6d 6163 735f 6577 616c 6420 c_gromacs_ewald \n-0000e980: 2d2d 3e0a 3c67 2069 643d 2265 6467 6536 -->.<g id=\"edge6\n-0000e990: 3722 2063 6c61 7373 3d22 6564 6765 223e 7\" class=\"edge\">\n-0000e9a0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-0000e9b0: 7263 5f67 726f 6d61 6373 5f74 6173 6b61 rc_gromacs_taska\n-0000e9c0: 7373 6967 6e6d 656e 7426 2334 353b 2667 ssignment-&g\n-0000e9d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000e9e0: 6d61 6373 5f65 7761 6c64 3c2f 7469 746c macs_ewald</titl\n-0000e9f0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0000ea00: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-0000ea10: 3266 6363 2220 643d 224d 3132 3032 2e33 2fcc\" d=\"M1202.3\n-0000ea20: 372c 2d35 3139 2e33 3743 3132 3134 2e33 7,-519.37C1214.3\n-0000ea30: 322c 2d35 3130 2e32 3720 3132 3330 2e38 2,-510.27 1230.8\n-0000ea40: 392c 2d34 3937 2e36 3720 3132 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756c 655f 7372 >.<!-- module_sr\n-000108f0: 635f 6772 6f6d 6163 735f 7472 616a 6563 c_gromacs_trajec\n-00010900: 746f 7279 616e 616c 7973 6973 202d 2d3e toryanalysis -->\n-00010910: 0a3c 6720 6964 3d22 6e6f 6465 3135 2220 .<g id=\"node15\" \n-00010920: 636c 6173 733d 226e 6f64 6522 3e0a 3c74 class=\"node\">.<t\n-00010930: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-00010940: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n-00010950: 7279 616e 616c 7973 6973 3c2f 7469 746c ryanalysis</titl\n-00010960: 653e 0a3c 6720 6964 3d22 615f 6e6f 6465 e>.<g id=\"a_node\n-00010970: 3135 223e 3c61 2078 6c69 6e6b 3a68 7265 15\"><a xlink:hre\n-00010980: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65 f=\"group__module\n-00010990: 5f5f 7472 616a 6563 746f 7279 616e 616c __trajectoryanal\n-000109a0: 7973 6973 2e78 6874 6d6c 2220 7461 7267 ysis.xhtml\" targ\n-000109b0: 6574 3d22 5f74 6f70 2220 786c 696e 6b3a et=\"_top\" xlink:\n-000109c0: 7469 746c 653d 2274 7261 6a65 6374 6f72 title=\"trajector\n-000109d0: 7961 6e61 6c79 7369 7322 3e0a 3c65 6c6c yanalysis\">.<ell\n-000109e0: 6970 7365 2066 696c 6c3d 2223 6666 6363 ipse fill=\"#ffcc\n-000109f0: 6363 2220 7374 726f 6b65 3d22 626c 6163 cc\" stroke=\"blac\n-00010a00: 6b22 2063 783d 2231 3134 382e 3536 2220 k\" cx=\"1148.56\" \n-00010a10: 6379 3d22 2d31 3136 312e 3122 2072 783d cy=\"-1161.1\" rx=\n-00010a20: 2236 352e 3131 2220 7279 3d22 3133 2e33 \"65.11\" ry=\"13.3\n-00010a30: 3722 2f3e 0a3c 7465 7874 2074 6578 742d 7\"/>.<text text-\n-00010a40: 616e 6368 6f72 3d22 6d69 6464 6c65 2220 anchor=\"middle\" \n-00010a50: 783d 2231 3134 382e 3536 2220 793d 222d x=\"1148.56\" y=\"-\n-00010a60: 3131 3538 2e36 2220 666f 6e74 2d66 616d 1158.6\" font-fam\n-00010a70: 696c 793d 2246 7265 6553 616e 7322 2066 ily=\"FreeSans\" f\n-00010a80: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022 ont-size=\"10.00\"\n-00010a90: 3e74 7261 6a65 6374 6f72 7961 6e61 6c79 >trajectoryanaly\n-00010aa0: 7369 733c 2f74 6578 743e 0a3c 2f61 3e0a sis</text>.</a>.\n-00010ab0: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d </g>.</g>.<!-- m\n-00010ac0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00010ad0: 735f 7472 616a 6563 746f 7279 616e 616c s_trajectoryanal\n-00010ae0: 7973 6973 2623 3435 3b26 6774 3b6d 6f64 ysis->mod\n-00010af0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00010b00: 636f 6d6d 616e 646c 696e 6520 2d2d 3e0a commandline -->.\n-00010b10: 3c67 2069 643d 2265 6467 6539 3022 2063 <g id=\"edge90\" c\n-00010b20: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-00010b30: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00010b40: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n-00010b50: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n-00010b60: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00010b70: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n-00010b80: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n-00010b90: 696c 6c3d 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3e0a 3c2f 6,-1105.63\"/>.</\n-00010c80: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-00010c90: 7263 5f67 726f 6d61 6373 5f74 7261 6a65 rc_gromacs_traje\n-00010ca0: 6374 6f72 7961 6e61 6c79 7369 7326 2334 ctoryanalysis\n-00010cb0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00010cc0: 5f67 726f 6d61 6373 5f73 7461 7469 7374 _gromacs_statist\n-00010cd0: 6963 7320 2d2d 3e0a 3c67 2069 643d 2265 ics -->.<g id=\"e\n-00010ce0: 6467 6539 3122 2063 6c61 7373 3d22 6564 dge91\" class=\"ed\n-00010cf0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-00010d00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-00010d10: 7261 6a65 6374 6f72 7961 6e61 6c79 7369 rajectoryanalysi\n-00010d20: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-00010d30: 5f73 7263 5f67 726f 6d61 6373 5f73 7461 _src_gromacs_sta\n-00010d40: 7469 7374 6963 733c 2f74 6974 6c65 3e0a tistics</title>.\n-00010d50: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n-00010d60: 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2f3e 0a3c 2f67 3e0a 1109.17\"/>.</g>.\n-00010e50: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-00010e60: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n-00010e70: 7279 616e 616c 7973 6973 2623 3435 3b26 ryanalysis-&\n-00010e80: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00010e90: 6f6d 6163 735f 6669 6c65 696f 202d 2d3e omacs_fileio -->\n-00010ea0: 0a3c 6720 6964 3d22 6564 6765 3838 2220 .<g id=\"edge88\" \n-00010eb0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-00010ec0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-00010ed0: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n-00010ee0: 7279 616e 616c 7973 6973 2623 3435 3b26 ryanalysis-&\n-00010ef0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00010f00: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio</ti\n-00010f10: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00010f20: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" 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oordinateio</tit\n-00011100: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00011110: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-00011120: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n-00011130: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-00011140: 224d 3131 3635 2e39 352c 2d31 3134 382e \"M1165.95,-1148.\n-00011150: 3037 4331 3137 382e 382c 2d31 3133 392e 07C1178.8,-1139.\n-00011160: 3138 2031 3139 362e 3532 2c2d 3131 3236 18 1196.52,-1126\n-00011170: 2e39 3220 3132 3130 2e39 392c 2d31 3131 .92 1210.99,-111\n-00011180: 362e 3931 222f 3e0a 3c70 6f6c 7967 6f6e 6.91\"/>.<polygon\n-00011190: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n-000111a0: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n-000111b0: 2070 6f69 6e74 733d 2231 3231 332e 3238 points=\"1213.28\n-000111c0: 2c2d 3131 3139 2e35 3920 3132 3139 2e35 ,-1119.59 1219.5\n-000111d0: 312c 2d31 3131 312e 3032 2031 3230 392e 1,-1111.02 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3835 1489.32,-1212.85\n-000113b0: 2031 3438 382e 3232 2c2d 3132 3139 2e37 1488.22,-1219.7\n-000113c0: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6\"/>.</g>.<!-- m\n-000113d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000113e0: 735f 7472 616a 6563 746f 7279 616e 616c s_trajectoryanal\n-000113f0: 7973 6973 2623 3435 3b26 6774 3b6d 6f64 ysis->mod\n-00011400: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00011410: 676d 7870 7265 7072 6f63 6573 7320 2d2d gmxpreprocess --\n-00011420: 3e0a 3c67 2069 643d 2265 6467 6539 3522 >.<g id=\"edge95\"\n-00011430: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-00011440: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00011450: 5f67 726f 6d61 6373 5f74 7261 6a65 6374 _gromacs_traject\n-00011460: 6f72 7961 6e61 6c79 7369 7326 2334 353b oryanalysis-\n-00011470: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00011480: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n-00011490: 6365 7373 3c2f 7469 746c 653e 0a3c 7061 cess</title>.<pa\n-000114a0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n-000114b0: 7472 6f6b 653d 2223 3263 6363 3238 2220 troke=\"#2ccc28\" \n-000114c0: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n-000114d0: 3d22 352c 3222 2064 3d22 4d31 3136 382e =\"5,2\" d=\"M1168.\n-000114e0: 392c 2d31 3137 342e 3132 4331 3139 372e 9,-1174.12C1197.\n-000114f0: 332c 2d31 3139 302e 3436 2031 3235 302e 3,-1190.46 1250.\n-00011500: 3833 2c2d 3132 3139 2e36 3720 3132 3939 83,-1219.67 1299\n-00011510: 2e35 362c 2d31 3233 372e 3420 3133 3438 .56,-1237.4 1348\n-00011520: 2e30 392c 2d31 3235 352e 3036 2031 3430 .09,-1255.06 140\n-00011530: 352e 3533 2c2d 3132 3638 2e31 3220 3134 5.53,-1268.12 14\n-00011540: 3436 2e37 332c 2d31 3237 362e 3222 2f3e 46.73,-1276.2\"/>\n-00011550: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-00011560: 2332 6363 6332 3822 2073 7472 6f6b 653d #2ccc28\" stroke=\n-00011570: 2223 3263 6363 3238 2220 706f 696e 7473 \"#2ccc28\" points\n-00011580: 3d22 3134 3436 2e30 392c 2d31 3237 392e =\"1446.09,-1279.\n-00011590: 3634 2031 3435 362e 3537 2c2d 3132 3738 64 1456.57,-1278\n-000115a0: 2e30 3920 3134 3437 2e34 312c 2d31 3237 .09 1447.41,-127\n-000115b0: 322e 3736 2031 3434 362e 3039 2c2d 3132 2.76 1446.09,-12\n-000115c0: 3739 2e36 3422 2f3e 0a3c 2f67 3e0a 3c21 79.64\"/>.</g>.<!\n-000115d0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-000115e0: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n-000115f0: 616e 616c 7973 6973 2623 3435 3b26 6774 analysis->\n-00011600: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00011610: 6163 735f 7261 6e64 6f6d 202d 2d3e 0a3c acs_random -->.<\n-00011620: 6720 6964 3d22 6564 6765 3932 2220 636c g id=\"edge92\" cl\n-00011630: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-00011640: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-00011650: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n-00011660: 616e 616c 7973 6973 2623 3435 3b26 6774 analysis->\n-00011670: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00011680: 6163 735f 7261 6e64 6f6d 3c2f 7469 746c acs_random</titl\n-00011690: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-000116a0: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61 one\" stroke=\"bla\n-000116b0: 636b 2220 7374 726f 6b65 2d64 6173 6861 ck\" stroke-dasha\n-000116c0: 7272 6179 3d22 352c 3222 2064 3d22 4d31 rray=\"5,2\" d=\"M1\n-000116d0: 3230 382e 3537 2c2d 3131 3535 2e38 3443 208.57,-1155.84C\n-000116e0: 3133 3535 2e30 362c 2d31 3134 352e 3420 1355.06,-1145.4 \n-000116f0: 3137 3233 2e30 312c 2d31 3131 382e 3835 1723.01,-1118.85\n-00011700: 2031 3737 382e 3536 2c2d 3131 3131 2e36 1778.56,-1111.6\n-00011710: 3620 3139 3633 2e31 362c 2d31 3038 372e 6 1963.16,-1087.\n-00011720: 3736 2032 3139 302e 3536 2c2d 3132 3232 76 2190.56,-1222\n-00011730: 2e35 2032 3139 302e 3536 2c2d 3130 3336 .5 2190.56,-1036\n-00011740: 2e33 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5f67 726f - module_src_gro\n-00011830: 6d61 6373 5f61 6e61 6c79 7369 7364 6174 macs_analysisdat\n-00011840: 6120 2d2d 3e0a 3c67 2069 643d 226e 6f64 a -->.<g id=\"nod\n-00011850: 6533 3622 2063 6c61 7373 3d22 6e6f 6465 e36\" class=\"node\n-00011860: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-00011870: 5f73 7263 5f67 726f 6d61 6373 5f61 6e61 _src_gromacs_ana\n-00011880: 6c79 7369 7364 6174 613c 2f74 6974 6c65 lysisdata</title\n-00011890: 3e0a 3c67 2069 643d 2261 5f6e 6f64 6533 >.<g id=\"a_node3\n-000118a0: 3622 3e3c 6120 786c 696e 6b3a 6872 6566 6\"><a xlink:href\n-000118b0: 3d22 6772 6f75 705f 5f6d 6f64 756c 655f =\"group__module_\n-000118c0: 5f61 6e61 6c79 7369 7364 6174 612e 7868 _analysisdata.xh\n-000118d0: 746d 6c22 2074 6172 6765 743d 225f 746f tml\" target=\"_to\n-000118e0: 7022 2078 6c69 6e6b 3a74 6974 6c65 3d22 p\" xlink:title=\"\n-000118f0: 616e 616c 7973 6973 6461 7461 223e 0a3c analysisdata\">.<\n-00011900: 656c 6c69 7073 6520 6669 6c6c 3d22 2366 ellipse 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dule_src_gromacs\n-000119f0: 5f74 7261 6a65 6374 6f72 7961 6e61 6c79 _trajectoryanaly\n-00011a00: 7369 7326 2334 353b 2667 743b 6d6f 6475 sis->modu\n-00011a10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n-00011a20: 6e61 6c79 7369 7364 6174 6120 2d2d 3e0a nalysisdata -->.\n-00011a30: 3c67 2069 643d 2265 6467 6538 3922 2063 <g id=\"edge89\" c\n-00011a40: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-00011a50: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00011a60: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n-00011a70: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n-00011a80: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00011a90: 6d61 6373 5f61 6e61 6c79 7369 7364 6174 macs_analysisdat\n-00011aa0: 613c 2f74 6974 6c65 3e0a 3c70 6174 6820 a</title>.<path \n-00011ab0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n-00011ac0: 6b65 3d22 2332 3832 6663 6322 2073 7472 ke=\"#282fcc\" str\n-00011ad0: 6f6b 652d 6461 7368 6172 7261 793d 2235 oke-dasharray=\"5\n-00011ae0: 2c32 2220 643d 224d 3131 3432 2e35 352c ,2\" d=\"M1142.55,\n-00011af0: 2d31 3134 372e 3438 4331 3133 382e 392c -1147.48C1138.9,\n-00011b00: 2d31 3133 392e 3831 2031 3133 342e 3133 -1139.81 1134.13\n-00011b10: 2c2d 3131 3239 2e38 3120 3131 3239 2e38 ,-1129.81 1129.8\n-00011b20: 382c 2d31 3132 302e 3922 2f3e 0a3c 706f 8,-1120.9\"/>.<po\n-00011b30: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n-00011b40: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n-00011b50: 3266 6363 2220 706f 696e 7473 3d22 3131 2fcc\" points=\"11\n-00011b60: 3333 2e30 322c 2d31 3131 392e 3334 2031 33.02,-1119.34 1\n-00011b70: 3132 352e 3536 2c2d 3131 3131 2e38 3220 125.56,-1111.82 \n-00011b80: 3131 3236 2e37 2c2d 3131 3232 2e33 3620 1126.7,-1122.36 \n-00011b90: 3131 3333 2e30 322c 2d31 3131 392e 3334 1133.02,-1119.34\n-00011ba0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-00011bb0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00011bc0: 5f67 6d78 7072 6570 726f 6365 7373 2623 _gmxpreprocess&#\n-00011bd0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00011be0: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n-00011bf0: 646c 696e 6520 2d2d 3e0a 3c67 2069 643d dline -->.<g id=\n-00011c00: 2265 6467 6539 3722 2063 6c61 7373 3d22 \"edge97\" class=\"\n-00011c10: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-00011c20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00011c30: 5f67 6d78 7072 6570 726f 6365 7373 2623 _gmxpreprocess&#\n-00011c40: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00011c50: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n-00011c60: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70 dline</title>.<p\n-00011c70: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n-00011c80: 7374 726f 6b65 3d22 626c 6163 6b22 2073 stroke=\"black\" s\n-00011c90: 7472 6f6b 652d 6461 7368 6172 7261 793d 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848.6\n-00011d80: 352c 2d31 3132 312e 3032 222f 3e0a 3c2f 5,-1121.02\"/>.</\n-00011d90: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-00011da0: 7263 5f67 726f 6d61 6373 5f67 6d78 7072 rc_gromacs_gmxpr\n-00011db0: 6570 726f 6365 7373 2623 3435 3b26 6774 eprocess->\n-00011dc0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00011dd0: 6163 735f 6669 6c65 696f 202d 2d3e 0a3c acs_fileio -->.<\n-00011de0: 6720 6964 3d22 6564 6765 3938 2220 636c g id=\"edge98\" cl\n-00011df0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-00011e00: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-00011e10: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n-00011e20: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n-00011e30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n-00011e40: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70 ileio</title>.<p\n-00011e50: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n-00011e60: 7374 726f 6b65 3d22 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75,-1046.18\"/>.<\n-00011f50: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-00011f60: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-00011f70: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-00011f80: 3130 3838 2e39 312c 2d31 3034 392e 3439 1088.91,-1049.49\n-00011f90: 2031 3039 372e 3439 2c2d 3130 3433 2e32 1097.49,-1043.2\n-00011fa0: 3820 3130 3836 2e39 312c 2d31 3034 322e 8 1086.91,-1042.\n-00011fb0: 3738 2031 3038 382e 3931 2c2d 3130 3439 78 1088.91,-1049\n-00011fc0: 2e34 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d .49\"/>.</g>.<!--\n-00011fd0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-00011fe0: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n-00011ff0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-00012000: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-00012010: 756e 202d 2d3e 0a3c 6720 6964 3d22 6564 un -->.<g id=\"ed\n-00012020: 6765 3130 3522 2063 6c61 7373 3d22 6564 ge105\" class=\"ed\n-00012030: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-00012040: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-00012050: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n-00012060: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00012070: 6772 6f6d 6163 735f 6d64 7275 6e3c 2f74 gromacs_mdrun</t\n-00012080: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00012090: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-000120a0: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-000120b0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-000120c0: 643d 224d 3135 3331 2e38 392c 2d31 3237 d=\"M1531.89,-127\n-000120d0: 352e 3232 4331 3537 332e 3836 2c2d 3132 5.22C1573.86,-12\n-000120e0: 3538 2e33 3620 3136 3434 2e35 362c 2d31 58.36 1644.56,-1\n-000120f0: 3232 312e 3139 2031 3634 342e 3536 2c2d 221.19 1644.56,-\n-00012100: 3131 3632 2e31 2031 3634 342e 3536 2c2d 1162.1 1644.56,-\n-00012110: 3131 3632 2e31 2031 3634 342e 3536 2c2d 1162.1 1644.56,-\n-00012120: 3131 3632 2e31 2031 3634 342e 3536 2c2d 1162.1 1644.56,-\n-00012130: 3130 3334 2e33 3620 3136 3434 2e35 362c 1034.36 1644.56,\n-00012140: 2d39 3333 2e33 2031 3432 332e 3139 2c2d -933.3 1423.19,-\n-00012150: 3638 362e 3437 2031 3335 372e 3634 2c2d 686.47 1357.64,-\n-00012160: 3631 352e 3539 222f 3e0a 3c70 6f6c 7967 615.59\"/>.<polyg\n-00012170: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n-00012180: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n-00012190: 6322 2070 6f69 6e74 733d 2231 3336 302e c\" points=\"1360.\n-000121a0: 3135 2c2d 3631 332e 3134 2031 3335 302e 15,-613.14 1350.\n-000121b0: 3738 2c2d 3630 382e 3220 3133 3535 2e30 78,-608.2 1355.0\n-000121c0: 322c 2d36 3137 2e39 3120 3133 3630 2e31 2,-617.91 1360.1\n-000121d0: 352c 2d36 3133 2e31 3422 2f3e 0a3c 2f67 5,-613.14\"/>.</g\n-000121e0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-000121f0: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n-00012200: 7072 6f63 6573 7326 2334 353b 2667 743b process->\n-00012210: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00012220: 6373 5f67 6d78 616e 6120 2d2d 3e0a 3c67 cs_gmxana -->.<g\n-00012230: 2069 643d 2265 6467 6531 3038 2220 636c id=\"edge108\" cl\n-00012240: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-00012250: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-00012260: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n-00012270: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n-00012280: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-00012290: 6d78 616e 613c 2f74 6974 6c65 3e0a 3c70 mxana</title>.<p\n-000122a0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n-000122b0: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n-000122c0: 2064 3d22 4d31 3530 372e 3537 2c2d 3132 d=\"M1507.57,-12\n-000122d0: 3733 2e32 3243 3135 3131 2e32 322c 2d31 73.22C1511.22,-1\n-000122e0: 3236 352e 3535 2031 3531 352e 3939 2c2d 265.55 1515.99,-\n-000122f0: 3132 3535 2e35 3520 3135 3230 2e32 332c 1255.55 1520.23,\n-00012300: 2d31 3234 362e 3634 222f 3e0a 3c70 6f6c -1246.64\"/>.<pol\n-00012310: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n-00012320: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n-00012330: 6662 6622 2070 6f69 6e74 733d 2231 3532 fbf\" points=\"152\n-00012340: 332e 3432 2c2d 3132 3438 2e31 2031 3532 3.42,-1248.1 152\n-00012350: 342e 3536 2c2d 3132 3337 2e35 3620 3135 4.56,-1237.56 15\n-00012360: 3137 2e31 2c2d 3132 3435 2e30 3820 3135 17.1,-1245.08 15\n-00012370: 3233 2e34 322c 2d31 3234 382e 3122 2f3e 23.42,-1248.1\"/>\n-00012380: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-00012390: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-000123a0: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n-000123b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-000123c0: 726f 6d61 6373 5f72 616e 646f 6d20 2d2d romacs_random --\n-000123d0: 3e0a 3c67 2069 643d 2265 6467 6539 3622 >.<g id=\"edge96\"\n-000123e0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-000123f0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00012400: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n-00012410: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n-00012420: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00012430: 735f 7261 6e64 6f6d 3c2f 7469 746c 653e s_random</title>\n-00012440: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .<path fill=\"non\n-00012450: 6522 2073 7472 6f6b 653d 2262 6c61 636b e\" stroke=\"black\n-00012460: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-00012470: 6179 3d22 352c 3222 2064 3d22 4d31 3535 ay=\"5,2\" d=\"M155\n-00012480: 392e 382c 2d31 3238 342e 3535 4331 3638 9.8,-1284.55C168\n-00012490: 362e 312c 2d31 3238 312e 3138 2031 3938 6.1,-1281.18 198\n-000124a0: 312e 342c 2d31 3236 392e 3938 2032 3037 1.4,-1269.98 207\n-000124b0: 352e 3536 2c2d 3132 3337 2e34 2032 3138 5.56,-1237.4 218\n-000124c0: 312e 3134 2c2d 3132 3030 2e38 3720 3232 1.14,-1200.87 22\n-000124d0: 3835 2e35 362c 2d31 3231 302e 3935 2032 85.56,-1210.95 2\n-000124e0: 3238 352e 3536 2c2d 3130 3939 2e32 3320 285.56,-1099.23 \n-000124f0: 3232 3835 2e35 362c 2d31 3039 392e 3233 2285.56,-1099.23\n-00012500: 2032 3238 352e 3536 2c2d 3130 3939 2e32 2285.56,-1099.2\n-00012510: 3320 3232 3835 2e35 362c 2d31 3033 342e 3 2285.56,-1034.\n-00012520: 3336 2032 3238 352e 3536 2c2d 3934 392e 36 2285.56,-949.\n-00012530: 3937 2032 3235 302e 3536 2c2d 3933 322e 97 2250.56,-932.\n-00012540: 3133 2032 3235 302e 3536 2c2d 3834 372e 13 2250.56,-847.\n-00012550: 3735 2032 3235 302e 3536 2c2d 3834 372e 75 2250.56,-847.\n-00012560: 3735 2032 3235 302e 3536 2c2d 3834 372e 75 2250.56,-847.\n-00012570: 3735 2032 3235 302e 3536 2c2d 3738 322e 75 2250.56,-782.\n-00012580: 3838 2032 3235 302e 3536 2c2d 3637 332e 88 2250.56,-673.\n-00012590: 3039 2032 3232 322e 342c 2d35 3433 2e38 09 2222.4,-543.8\n-000125a0: 3820 3232 3130 2e31 342c 2d34 3932 2e38 8 2210.14,-492.8\n-000125b0: 3622 2f3e 0a3c 706f 6c79 676f 6e20 6669 6\"/>.<polygon fi\n-000125c0: 6c6c 3d22 626c 6163 6b22 2073 7472 6f6b ll=\"black\" strok\n-000125d0: 653d 2262 6c61 636b 2220 706f 696e 7473 e=\"black\" points\n-000125e0: 3d22 3232 3133 2e34 392c 2d34 3931 2e38 =\"2213.49,-491.8\n-000125f0: 3120 3232 3037 2e37 322c 2d34 3832 2e39 1 2207.72,-482.9\n-00012600: 3320 3232 3036 2e36 392c 2d34 3933 2e34 3 2206.69,-493.4\n-00012610: 3720 3232 3133 2e34 392c 2d34 3931 2e38 7 2213.49,-491.8\n-00012620: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 1\"/>.</g>.<!-- m\n-00012630: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00012640: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n-00012650: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00012660: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-00012670: 6320 2d2d 3e0a 3c67 2069 643d 2265 6467 c -->.<g id=\"edg\n-00012680: 6531 3030 2220 636c 6173 733d 2265 6467 e100\" class=\"edg\n-00012690: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-000126a0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-000126b0: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n-000126c0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-000126d0: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74 romacs_domdec</t\n-000126e0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-000126f0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00012700: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-00012710: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-00012720: 643d 224d 3134 3433 2e30 362c 2d31 3238 d=\"M1443.06,-128\n-00012730: 352e 3137 4331 3236 372e 3836 2c2d 3132 5.17C1267.86,-12\n-00012740: 3832 2e38 2037 3535 2e33 372c 2d31 3237 82.8 755.37,-127\n-00012750: 322e 3836 2036 3839 2e35 362c 2d31 3233 2.86 689.56,-123\n-00012760: 372e 3420 3635 382e 3835 2c2d 3132 3230 7.4 658.85,-1220\n-00012770: 2e38 3520 3635 352e 3133 2c2d 3132 3037 .85 655.13,-1207\n-00012780: 2e30 3820 3634 322e 3536 2c2d 3131 3734 .08 642.56,-1174\n-00012790: 2e35 3320 3536 342e 3836 2c2d 3937 332e .53 564.86,-973.\n-000127a0: 3334 2036 3033 2e30 312c 2d38 3338 2e32 34 603.01,-838.2\n-000127b0: 3720 3737 342e 3536 2c2d 3730 372e 3537 7 774.56,-707.57\n-000127c0: 2038 3033 2e31 352c 2d36 3835 2e37 3920 803.15,-685.79 \n-000127d0: 3930 312e 3535 2c2d 3637 302e 3939 2039 901.55,-670.99 9\n-000127e0: 3539 2e36 352c 2d36 3633 2e39 3122 2f3e 59.65,-663.91\"/>\n-000127f0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-00012800: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n-00012810: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n-00012820: 3d22 3936 302e 3134 2c2d 3636 372e 3338 =\"960.14,-667.38\n-00012830: 2039 3639 2e36 362c 2d36 3632 2e37 3220 969.66,-662.72 \n-00012840: 3935 392e 3331 2c2d 3636 302e 3433 2039 959.31,-660.43 9\n-00012850: 3630 2e31 342c 2d36 3637 2e33 3822 2f3e 60.14,-667.38\"/>\n-00012860: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-00012870: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-00012880: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n-00012890: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-000128a0: 726f 6d61 6373 5f6f 7074 696f 6e73 202d romacs_options -\n-000128b0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3130 ->.<g id=\"edge10\n-000128c0: 3722 2063 6c61 7373 3d22 6564 6765 223e 7\" class=\"edge\">\n-000128d0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-000128e0: 7263 5f67 726f 6d61 6373 5f67 6d78 7072 rc_gromacs_gmxpr\n-000128f0: 6570 726f 6365 7373 2623 3435 3b26 6774 eprocess->\n-00012900: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00012910: 6163 735f 6f70 7469 6f6e 733c 2f74 6974 acs_options</tit\n-00012920: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00012930: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-00012940: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n-00012950: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-00012960: 224d 3135 3439 2e31 372c 2d31 3237 382e \"M1549.17,-1278.\n-00012970: 3936 4331 3634 332e 3831 2c2d 3132 3633 96C1643.81,-1263\n-00012980: 2e39 3620 3138 3436 2e35 362c 2d31 3232 .96 1846.56,-122\n-00012990: 342e 3533 2031 3834 362e 3536 2c2d 3131 4.53 1846.56,-11\n-000129a0: 3632 2e31 2031 3834 362e 3536 2c2d 3131 62.1 1846.56,-11\n-000129b0: 3632 2e31 2031 3834 362e 3536 2c2d 3131 62.1 1846.56,-11\n-000129c0: 3632 2e31 2031 3834 362e 3536 2c2d 3130 62.1 1846.56,-10\n-000129d0: 3334 2e33 3620 3138 3436 2e35 362c 2d39 34.36 1846.56,-9\n-000129e0: 3133 2e34 3520 3138 3139 2e32 342c 2d38 13.45 1819.24,-8\n-000129f0: 3834 2e39 3920 3137 3830 2e35 362c 2d37 84.99 1780.56,-7\n-00012a00: 3730 2e34 3420 3137 3434 2e33 332c 2d36 70.44 1744.33,-6\n-00012a10: 3633 2e31 3520 3136 3836 2e30 382c 2d35 63.15 1686.08,-5\n-00012a20: 3430 2e36 3620 3136 3632 2e32 352c 2d34 40.66 1662.25,-4\n-00012a30: 3932 2e30 3422 2f3e 0a3c 706f 6c79 676f 92.04\"/>.<polygo\n-00012a40: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n-00012a50: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00012a60: 2220 706f 696e 7473 3d22 3136 3635 2e32 \" points=\"1665.2\n-00012a70: 362c 2d34 3930 2e32 3420 3136 3537 2e37 6,-490.24 1657.7\n-00012a80: 2c2d 3438 322e 3831 2031 3635 382e 3938 ,-482.81 1658.98\n-00012a90: 2c2d 3439 332e 3333 2031 3636 352e 3236 ,-493.33 1665.26\n-00012aa0: 2c2d 3439 302e 3234 222f 3e0a 3c2f 673e ,-490.24\"/>.</g>\n-00012ab0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-00012ac0: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n-00012ad0: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n-00012ae0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00012af0: 735f 676d 786c 6962 202d 2d3e 0a3c 6720 s_gmxlib -->.<g \n-00012b00: 6964 3d22 6564 6765 3130 3322 2063 6c61 id=\"edge103\" cla\n-00012b10: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-00012b20: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00012b30: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n-00012b40: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n-00012b50: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-00012b60: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib</title>.<pa\n-00012b70: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n-00012b80: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n-00012b90: 643d 224d 3134 3432 2e37 362c 2d31 3238 d=\"M1442.76,-128\n-00012ba0: 362e 3337 4331 3139 322e 362c 2d31 3238 6.37C1192.6,-128\n-00012bb0: 372e 3838 2032 3239 2e35 362c 2d31 3238 7.88 229.56,-128\n-00012bc0: 352e 3635 2032 3239 2e35 362c 2d31 3136 5.65 229.56,-116\n-00012bd0: 322e 3120 3232 392e 3536 2c2d 3131 3632 2.1 229.56,-1162\n-00012be0: 2e31 2032 3239 2e35 362c 2d31 3136 322e .1 229.56,-1162.\n-00012bf0: 3120 3232 392e 3536 2c2d 3738 322e 3838 1 229.56,-782.88\n-00012c00: 2032 3239 2e35 362c 2d36 3430 2e33 3220 229.56,-640.32 \n-00012c10: 3134 332e 3833 2c2d 3233 352e 3120 3235 143.83,-235.1 25\n-00012c20: 312e 3536 2c2d 3134 312e 3734 2033 3033 1.56,-141.74 303\n-00012c30: 2e38 2c2d 3936 2e34 3720 3531 342e 3935 .8,-96.47 514.95\n-00012c40: 2c2d 3932 2e33 3220 3630 362e 322c 2d39 ,-92.32 606.2,-9\n-00012c50: 322e 3731 222f 3e0a 3c70 6f6c 7967 6f6e 2.71\"/>.<polygon\n-00012c60: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n-00012c70: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n-00012c80: 2070 6f69 6e74 733d 2236 3036 2e34 342c points=\"606.44,\n-00012c90: 2d39 362e 3231 2036 3136 2e34 362c 2d39 -96.21 616.46,-9\n-00012ca0: 322e 3738 2036 3036 2e34 392c 2d38 392e 2.78 606.49,-89.\n-00012cb0: 3231 2036 3036 2e34 342c 2d39 362e 3231 21 606.44,-96.21\n-00012cc0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-00012cd0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00012ce0: 5f67 6d78 7072 6570 726f 6365 7373 2623 _gmxpreprocess&#\n-00012cf0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00012d00: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n-00012d10: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n-00012d20: 6531 3032 2220 636c 6173 733d 2265 6467 e102\" class=\"edg\n-00012d30: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-00012d40: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-00012d50: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n-00012d60: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00012d70: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f romacs_mdtypes</\n-00012d80: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00012d90: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00012da0: 2223 6266 6266 6266 2220 643d 224d 3134 \"#bfbfbf\" d=\"M14\n-00012db0: 3433 2e34 322c 2d31 3238 342e 3438 4331 43.42,-1284.48C1\n-00012dc0: 3330 392e 332c 2d31 3238 302e 3836 2039 309.3,-1280.86 9\n-00012dd0: 3831 2e37 312c 2d31 3236 382e 3935 2038 81.71,-1268.95 8\n-00012de0: 3736 2e35 362c 2d31 3233 372e 3420 3831 76.56,-1237.4 81\n-00012df0: 302e 3338 2c2d 3132 3137 2e35 3420 3734 0.38,-1217.54 74\n-00012e00: 302e 3536 2c2d 3132 3331 2e31 3920 3734 0.56,-1231.19 74\n-00012e10: 302e 3536 2c2d 3131 3632 2e31 2037 3430 0.56,-1162.1 740\n-00012e20: 2e35 362c 2d31 3136 322e 3120 3734 302e .56,-1162.1 740.\n-00012e30: 3536 2c2d 3131 3632 2e31 2037 3430 2e35 56,-1162.1 740.5\n-00012e40: 362c 2d31 3039 372e 3233 2037 3430 2e35 6,-1097.23 740.5\n-00012e50: 362c 2d39 3032 2e38 3820 3939 352e 3333 6,-902.88 995.33\n-00012e60: 2c2d 3737 352e 3437 2031 3038 382e 322c ,-775.47 1088.2,\n-00012e70: 2d37 3335 2e34 3922 2f3e 0a3c 706f 6c79 -735.49\"/>.<poly\n-00012e80: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n-00012e90: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n-00012ea0: 6266 2220 706f 696e 7473 3d22 3130 3839 bf\" points=\"1089\n-00012eb0: 2e36 2c2d 3733 382e 3720 3130 3937 2e34 .6,-738.7 1097.4\n-00012ec0: 342c 2d37 3331 2e35 3720 3130 3836 2e38 4,-731.57 1086.8\n-00012ed0: 362c 2d37 3332 2e32 3520 3130 3839 2e36 6,-732.25 1089.6\n-00012ee0: 2c2d 3733 382e 3722 2f3e 0a3c 2f67 3e0a ,-738.7\"/>.</g>.\n-00012ef0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-00012f00: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n-00012f10: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n-00012f20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00012f30: 5f6e 626e 786d 202d 2d3e 0a3c 6720 6964 _nbnxm -->.<g id\n-00012f40: 3d22 6564 6765 3131 3222 2063 6c61 7373 =\"edge112\" class\n-00012f50: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n-00012f60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00012f70: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n-00012f80: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00012f90: 7372 635f 6772 6f6d 6163 735f 6e62 6e78 src_gromacs_nbnx\n-00012fa0: 6d3c 2f74 6974 6c65 3e0a 3c70 6174 6820 m</title>.<path \n-00012fb0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n-00012fc0: 6b65 3d22 2332 3832 6663 6322 2073 7472 ke=\"#282fcc\" str\n-00012fd0: 6f6b 652d 6461 7368 6172 7261 793d 2235 oke-dasharray=\"5\n-00012fe0: 2c32 2220 643d 224d 3134 3433 2e32 322c ,2\" d=\"M1443.22,\n-00012ff0: 2d31 3238 342e 3938 4331 3236 332e 3238 -1284.98C1263.28\n-00013000: 2c2d 3132 3832 2037 3234 2e37 322c 2d31 ,-1282 724.72,-1\n-00013010: 3237 302e 3338 2036 3533 2e35 362c 2d31 270.38 653.56,-1\n-00013020: 3233 372e 3420 3534 312e 3734 2c2d 3131 237.4 541.74,-11\n-00013030: 3835 2e35 3720 3436 322e 3536 2c2d 3131 85.57 462.56,-11\n-00013040: 3539 2e36 2034 3632 2e35 362c 2d31 3033 59.6 462.56,-103\n-00013050: 362e 3336 2034 3632 2e35 362c 2d31 3033 6.36 462.56,-103\n-00013060: 362e 3336 2034 3632 2e35 362c 2d31 3033 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6373 5f67 6d78 _src_gromacs_gmx\n-00013410: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n-00013420: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00013430: 6f6d 6163 735f 6666 7420 2d2d 3e0a 3c67 omacs_fft -->.<g\n-00013440: 2069 643d 2265 6467 6531 3130 2220 636c id=\"edge110\" cl\n-00013450: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-00013460: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-00013470: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n-00013480: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n-00013490: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n-000134a0: 6674 3c2f 7469 746c 653e 0a3c 7061 7468 ft</title>.<path\n-000134b0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n-000134c0: 6f6b 653d 2223 6266 6266 6266 2220 643d oke=\"#bfbfbf\" d=\n-000134d0: 224d 3135 3630 2e30 342c 2d31 3238 352e \"M1560.04,-1285.\n-000134e0: 3443 3137 3035 2e32 342c 2d31 3238 322e 4C1705.24,-1282.\n-000134f0: 3735 2032 3037 302e 3536 2c2d 3132 3635 75 2070.56,-1265\n-00013500: 2e37 3820 3230 3730 2e35 362c 2d31 3136 .78 2070.56,-116\n-00013510: 322e 3120 3230 3730 2e35 362c 2d31 3136 2.1 2070.56,-116\n-00013520: 322e 3120 3230 3730 2e35 362c 2d31 3136 2.1 2070.56,-116\n-00013530: 322e 3120 3230 3730 2e35 362c 2d31 3033 2.1 2070.56,-103\n-00013540: 342e 3336 2032 3037 302e 3536 2c2d 3931 4.36 2070.56,-91\n-00013550: 352e 3937 2032 3134 362e 3339 2c2d 3838 5.97 2146.39,-88\n-00013560: 312e 3932 2032 3130 362e 3536 2c2d 3737 1.92 2106.56,-77\n-00013570: 302e 3434 2032 3038 372e 3435 2c2d 3731 0.44 2087.45,-71\n-00013580: 362e 3935 2032 3034 392e 3833 2c2d 3732 6.95 2049.83,-72\n-00013590: 322e 3933 2032 3032 352e 3536 2c2d 3637 2.93 2025.56,-67\n-000135a0: 312e 3537 2032 3031 302e 3938 2c2d 3634 1.57 2010.98,-64\n-000135b0: 302e 3732 2032 3031 302e 3536 2c2d 3633 0.72 2010.56,-63\n-000135c0: 302e 3339 2032 3031 302e 3536 2c2d 3539 0.39 2010.56,-59\n-000135d0: 362e 3237 2032 3031 302e 3536 2c2d 3539 6.27 2010.56,-59\n-000135e0: 362e 3237 2032 3031 302e 3536 2c2d 3539 6.27 2010.56,-59\n-000135f0: 362e 3237 2032 3031 302e 3536 2c2d 3533 6.27 2010.56,-53\n-00013600: 312e 3420 3230 3130 2e35 362c 2d34 3931 1.4 2010.56,-491\n-00013610: 2e33 3820 3139 3834 2e38 352c 2d34 3530 .38 1984.85,-450\n-00013620: 2e37 3320 3139 3637 2e30 392c 2d34 3237 .73 1967.09,-427\n-00013630: 2e34 3222 2f3e 0a3c 706f 6c79 676f 6e20 .42\"/>.<polygon \n-00013640: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n-00013650: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n-00013660: 706f 696e 7473 3d22 3139 3639 2e36 382c points=\"1969.68,\n-00013670: 2d34 3235 2e30 3620 3139 3630 2e37 342c -425.06 1960.74,\n-00013680: 2d34 3139 2e33 3720 3139 3634 2e31 382c -419.37 1964.18,\n-00013690: 2d34 3239 2e33 3920 3139 3639 2e36 382c -429.39 1969.68,\n-000136a0: 2d34 3235 2e30 3622 2f3e 0a3c 2f67 3e0a -425.06\"/>.</g>.\n-000136b0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-000136c0: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n-000136d0: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n-000136e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000136f0: 5f6c 6973 7465 645f 666f 7263 6573 202d _listed_forces -\n-00013700: 2d3e 0a3c 6720 6964 3d22 6564 6765 3939 ->.<g id=\"edge99\n-00013710: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-00013720: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00013730: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n-00013740: 7072 6f63 6573 7326 2334 353b 2667 743b process->\n-00013750: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00013760: 6373 5f6c 6973 7465 645f 666f 7263 6573 cs_listed_forces\n-00013770: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n-00013780: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n-00013790: 653d 2223 3238 3266 6363 2220 7374 726f e=\"#282fcc\" stro\n-000137a0: 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2032 3333 0.56,-722.01 233\n-00013890: 302e 3536 2c2d 3732 322e 3031 2032 3333 0.56,-722.01 233\n-000138a0: 302e 3536 2c2d 3732 322e 3031 2032 3333 0.56,-722.01 233\n-000138b0: 302e 3536 2c2d 3635 372e 3134 2032 3333 0.56,-657.14 233\n-000138c0: 302e 3536 2c2d 3537 332e 3732 2032 3335 0.56,-573.72 235\n-000138d0: 302e 3536 2c2d 3535 332e 3934 2032 3335 0.56,-553.94 235\n-000138e0: 302e 3536 2c2d 3437 302e 3533 2032 3335 0.56,-470.53 235\n-000138f0: 302e 3536 2c2d 3437 302e 3533 2032 3335 0.56,-470.53 235\n-00013900: 302e 3536 2c2d 3437 302e 3533 2032 3335 0.56,-470.53 235\n-00013910: 302e 3536 2c2d 3334 322e 3739 2032 3335 0.56,-342.79 235\n-00013920: 302e 3536 2c2d 3237 342e 3134 2032 3333 0.56,-274.14 233\n-00013930: 372e 362c 2d32 3434 2e32 3520 3232 3831 7.6,-244.25 2281\n-00013940: 2e35 362c 2d32 3034 2e36 3120 3232 3530 .56,-204.61 2250\n-00013950: 2e31 342c 2d31 3832 2e33 3820 3232 3038 .14,-182.38 2208\n-00013960: 2e33 372c 2d31 3730 2e32 2032 3137 352e .37,-170.2 2175.\n-00013970: 3235 2c2d 3136 332e 3632 222f 3e0a 3c70 25,-163.62\"/>.<p\n-00013980: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n-00013990: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n-000139a0: 3832 6663 6322 2070 6f69 6e74 733d 2232 82fcc\" points=\"2\n-000139b0: 3137 352e 3735 2c2d 3136 302e 3135 2032 175.75,-160.15 2\n-000139c0: 3136 352e 3237 2c2d 3136 312e 3735 2032 165.27,-161.75 2\n-000139d0: 3137 342e 3436 2c2d 3136 372e 3033 2032 174.46,-167.03 2\n-000139e0: 3137 352e 3735 2c2d 3136 302e 3135 222f 175.75,-160.15\"/\n-000139f0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n-00013a00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-00013a10: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n+0000c320: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n+0000c330: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000c340: 635f 6772 6f6d 6163 735f 6577 616c 6420 c_gromacs_ewald \n+0000c350: 2d2d 3e0a 3c67 2069 643d 2265 6467 6536 -->.<g id=\"edge6\n+0000c360: 3522 2063 6c61 7373 3d22 6564 6765 223e 5\" class=\"edge\">\n+0000c370: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0000c380: 7263 5f67 726f 6d61 6373 5f61 7070 6c69 rc_gromacs_appli\n+0000c390: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n+0000c3a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000c3b0: 6d61 6373 5f65 7761 6c64 3c2f 7469 746c macs_ewald</titl\n+0000c3c0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0000c3d0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+0000c3e0: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+0000c3f0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0000c400: 4d38 3232 2e35 312c 2d34 3230 2e32 3843 M822.51,-420.28C\n+0000c410: 3831 372e 3938 2c2d 3434 382e 3932 2038 817.98,-448.92 8\n+0000c420: 3037 2e32 312c 2d35 3231 2e30 3220 3830 07.21,-521.02 80\n+0000c430: 332e 3536 2c2d 3538 312e 3833 2037 3939 3.56,-581.83 799\n+0000c440: 2e34 382c 2d36 3439 2e37 3820 3830 322e .48,-649.78 802.\n+0000c450: 3637 2c2d 3636 372e 3820 3831 362e 3536 67,-667.8 816.56\n+0000c460: 2c2d 3733 342e 3434 2038 3232 2e35 342c ,-734.44 822.54,\n+0000c470: 2d37 3633 2e31 3520 3832 302e 3939 2c2d -763.15 820.99,-\n+0000c480: 3737 322e 3436 2038 3336 2e35 362c 2d37 772.46 836.56,-7\n+0000c490: 3937 2e33 3120 3834 332e 3935 2c2d 3830 97.31 843.95,-80\n+0000c4a0: 392e 3131 2038 3534 2e38 382c 2d38 3230 9.11 854.88,-820\n+0000c4b0: 2e30 3120 3836 342e 3733 2c2d 3832 382e .01 864.73,-828.\n+0000c4c0: 3437 222f 3e0a 3c70 6f6c 7967 6f6e 2066 47\"/>.<polygon f\n+0000c4d0: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n+0000c4e0: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n+0000c4f0: 6f69 6e74 733d 2238 3632 2e37 2c2d 3833 oints=\"862.7,-83\n+0000c500: 312e 3333 2038 3732 2e36 352c 2d38 3334 1.33 872.65,-834\n+0000c510: 2e39 3720 3836 372e 3134 2c2d 3832 352e .97 867.14,-825.\n+0000c520: 3932 2038 3632 2e37 2c2d 3833 312e 3333 92 862.7,-831.33\n+0000c530: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+0000c540: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000c550: 5f63 6f6d 7061 7420 2d2d 3e0a 3c67 2069 _compat -->.<g i\n+0000c560: 643d 226e 6f64 6532 3522 2063 6c61 7373 d=\"node25\" class\n+0000c570: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e =\"node\">.<title>\n+0000c580: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000c590: 6373 5f63 6f6d 7061 743c 2f74 6974 6c65 cs_compat</title\n+0000c5a0: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d >.<ellipse fill=\n+0000c5b0: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n+0000c5c0: 3d22 626c 6163 6b22 2063 783d 2238 3638 =\"black\" cx=\"868\n+0000c5d0: 2e35 3622 2063 793d 222d 3135 352e 3138 .56\" cy=\"-155.18\n+0000c5e0: 2220 7278 3d22 3334 2e38 2220 7279 3d22 \" rx=\"34.8\" ry=\"\n+0000c5f0: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074 13.37\"/>.<text t\n+0000c600: 6578 742d 616e 6368 6f72 3d22 6d69 6464 ext-anchor=\"midd\n+0000c610: 6c65 2220 783d 2238 3638 2e35 3622 2079 le\" x=\"868.56\" y\n+0000c620: 3d22 2d31 3532 2e36 3822 2066 6f6e 742d =\"-152.68\" font-\n+0000c630: 6661 6d69 6c79 3d22 4672 6565 5361 6e73 family=\"FreeSans\n+0000c640: 2220 666f 6e74 2d73 697a 653d 2231 302e \" font-size=\"10.\n+0000c650: 3030 223e 636f 6d70 6174 3c2f 7465 7874 00\">compat</text\n+0000c660: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+0000c670: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+0000c680: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n+0000c690: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000c6a0: 5f67 726f 6d61 6373 5f63 6f6d 7061 7420 _gromacs_compat \n+0000c6b0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6536 -->.<g id=\"edge6\n+0000c6c0: 3722 2063 6c61 7373 3d22 6564 6765 223e 7\" class=\"edge\">\n+0000c6d0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0000c6e0: 7263 5f67 726f 6d61 6373 5f61 7070 6c69 rc_gromacs_appli\n+0000c6f0: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n+0000c700: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000c710: 6d61 6373 5f63 6f6d 7061 743c 2f74 6974 macs_compat</tit\n+0000c720: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0000c730: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+0000c740: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+0000c750: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+0000c760: 224d 3832 362e 382c 2d33 3932 2e39 3443 \"M826.8,-392.94C\n+0000c770: 3833 332e 3833 2c2d 3335 332e 3037 2038 833.83,-353.07 8\n+0000c780: 3535 2e35 322c 2d32 3330 2e31 3120 3836 55.52,-230.11 86\n+0000c790: 342e 3535 2c2d 3137 382e 3931 222f 3e0a 4.55,-178.91\"/>.\n+0000c7a0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+0000c7b0: 3238 3266 6363 2220 7374 726f 6b65 3d22 282fcc\" stroke=\"\n+0000c7c0: 2332 3832 6663 6322 2070 6f69 6e74 733d #282fcc\" points=\n+0000c7d0: 2238 3638 2e30 332c 2d31 3739 2e33 3220 \"868.03,-179.32 \n+0000c7e0: 3836 362e 3332 2c2d 3136 382e 3836 2038 866.32,-168.86 8\n+0000c7f0: 3631 2e31 342c 2d31 3738 2e31 2038 3638 61.14,-178.1 868\n+0000c800: 2e30 332c 2d31 3739 2e33 3222 2f3e 0a3c .03,-179.32\"/>.<\n+0000c810: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+0000c820: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n+0000c830: 6965 645f 666f 7263 6573 2623 3435 3b26 ied_forces-&\n+0000c840: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000c850: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n+0000c860: 6573 7320 2d2d 3e0a 3c67 2069 643d 2265 ess -->.<g id=\"e\n+0000c870: 6467 6536 3322 2063 6c61 7373 3d22 6564 dge63\" class=\"ed\n+0000c880: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+0000c890: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+0000c8a0: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n+0000c8b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000c8c0: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n+0000c8d0: 726f 6365 7373 3c2f 7469 746c 653e 0a3c rocess</title>.<\n+0000c8e0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0000c8f0: 2073 7472 6f6b 653d 2223 3263 6363 3238 stroke=\"#2ccc28\n+0000c900: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+0000c910: 6179 3d22 352c 3222 2064 3d22 4d38 3634 ay=\"5,2\" d=\"M864\n+0000c920: 2e36 352c 2d34 3136 2e32 3143 3837 322e .65,-416.21C872.\n+0000c930: 3836 2c2d 3431 372e 3731 2038 3831 2e34 86,-417.71 881.4\n+0000c940: 362c 2d34 3139 2e31 2038 3839 2e35 362c 6,-419.1 889.56,\n+0000c950: 2d34 3230 2e30 3920 3131 3432 2e32 342c -420.09 1142.24,\n+0000c960: 2d34 3530 2e38 3620 3138 3639 2e31 312c -450.86 1869.11,\n+0000c970: 2d33 3739 2e34 3920 3230 3233 2e35 362c -379.49 2023.56,\n+0000c980: 2d35 3831 2e38 3320 3231 3030 2e39 352c -581.83 2100.95,\n+0000c990: 2d36 3833 2e32 3120 3138 3637 2e35 332c -683.21 1867.53,\n+0000c9a0: 2d36 3134 2e37 3220 3137 3433 2e35 362c -614.72 1743.56,\n+0000c9b0: 2d36 3434 2e37 2031 3636 332e 3634 2c2d -644.7 1663.64,-\n+0000c9c0: 3636 342e 3033 2031 3633 332e 3234 2c2d 664.03 1633.24,-\n+0000c9d0: 3635 352e 3535 2031 3536 392e 3536 2c2d 655.55 1569.56,-\n+0000c9e0: 3730 372e 3537 2031 3438 332e 3239 2c2d 707.57 1483.29,-\n+0000c9f0: 3737 382e 3035 2031 3433 312e 3939 2c2d 778.05 1431.99,-\n+0000ca00: 3930 362e 3037 2031 3431 372e 3536 2c2d 906.07 1417.56,-\n+0000ca10: 3935 392e 3035 2031 3431 342e 3432 2c2d 959.05 1414.42,-\n+0000ca20: 3937 302e 3537 2031 3431 302e 3935 2c2d 970.57 1410.95,-\n+0000ca30: 3937 352e 3937 2031 3431 372e 3536 2c2d 975.97 1417.56,-\n+0000ca40: 3938 352e 3932 2031 3433 302e 3736 2c2d 985.92 1430.76,-\n+0000ca50: 3130 3035 2e38 3120 3134 3533 2e39 312c 1005.81 1453.91,\n+0000ca60: 2d31 3031 372e 3535 2031 3437 352e 3939 -1017.55 1475.99\n+0000ca70: 2c2d 3130 3234 2e34 3722 2f3e 0a3c 706f ,-1024.47\"/>.<po\n+0000ca80: 6c79 676f 6e20 6669 6c6c 3d22 2332 6363 lygon fill=\"#2cc\n+0000ca90: 6332 3822 2073 7472 6f6b 653d 2223 3263 c28\" stroke=\"#2c\n+0000caa0: 6363 3238 2220 706f 696e 7473 3d22 3134 cc28\" points=\"14\n+0000cab0: 3735 2e31 312c 2d31 3032 372e 3836 2031 75.11,-1027.86 1\n+0000cac0: 3438 352e 3639 2c2d 3130 3237 2e32 3420 485.69,-1027.24 \n+0000cad0: 3134 3737 2e30 332c 2d31 3032 312e 3133 1477.03,-1021.13\n+0000cae0: 2031 3437 352e 3131 2c2d 3130 3237 2e38 1475.11,-1027.8\n+0000caf0: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6\"/>.</g>.<!-- m\n+0000cb00: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000cb10: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n+0000cb20: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000cb30: 7372 635f 6772 6f6d 6163 735f 6d64 7370 src_gromacs_mdsp\n+0000cb40: 616e 202d 2d3e 0a3c 6720 6964 3d22 6564 an -->.<g id=\"ed\n+0000cb50: 6765 3730 2220 636c 6173 733d 2265 6467 ge70\" class=\"edg\n+0000cb60: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+0000cb70: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n+0000cb80: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n+0000cb90: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000cba0: 6772 6f6d 6163 735f 6d64 7370 616e 3c2f gromacs_mdspan</\n+0000cbb0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0000cbc0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0000cbd0: 2272 6564 2220 643d 224d 3831 382e 3131 \"red\" d=\"M818.11\n+0000cbe0: 2c2d 3339 332e 3034 4338 3039 2e39 312c ,-393.04C809.91,\n+0000cbf0: 2d33 3737 2e35 3720 3739 342e 3837 2c2d -377.57 794.87,-\n+0000cc00: 3335 302e 3835 2037 3738 2e35 362c 2d33 350.85 778.56,-3\n+0000cc10: 3330 2e33 3520 3730 392e 3233 2c2d 3234 30.35 709.23,-24\n+0000cc20: 332e 3138 2035 3438 2e38 352c 2d32 3332 3.18 548.85,-232\n+0000cc30: 2e33 3920 3631 332e 3536 2c2d 3134 312e .39 613.56,-141.\n+0000cc40: 3734 2036 3737 2e34 362c 2d35 322e 3233 74 677.46,-52.23\n+0000cc50: 2038 3138 2e30 382c 2d33 332e 3936 2038 818.08,-33.96 8\n+0000cc60: 3931 2e32 362c 2d33 302e 3731 222f 3e0a 91.26,-30.71\"/>.\n+0000cc70: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 <polygon fill=\"r\n+0000cc80: 6564 2220 7374 726f 6b65 3d22 7265 6422 ed\" stroke=\"red\"\n+0000cc90: 2070 6f69 6e74 733d 2238 3931 2e36 382c points=\"891.68,\n+0000cca0: 2d33 342e 3220 3930 312e 3535 2c2d 3330 -34.2 901.55,-30\n+0000ccb0: 2e33 3320 3839 312e 3433 2c2d 3237 2e32 .33 891.43,-27.2\n+0000ccc0: 2038 3931 2e36 382c 2d33 342e 3222 2f3e 891.68,-34.2\"/>\n+0000ccd0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+0000cce0: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n+0000ccf0: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n+0000cd00: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000cd10: 6772 6f6d 6163 735f 646f 6d64 6563 202d gromacs_domdec -\n+0000cd20: 2d3e 0a3c 6720 6964 3d22 6564 6765 3630 ->.<g id=\"edge60\n+0000cd30: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+0000cd40: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+0000cd50: 635f 6772 6f6d 6163 735f 6170 706c 6965 c_gromacs_applie\n+0000cd60: 645f 666f 7263 6573 2623 3435 3b26 6774 d_forces->\n+0000cd70: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000cd80: 6163 735f 646f 6d64 6563 3c2f 7469 746c acs_domdec</titl\n+0000cd90: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0000cda0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+0000cdb0: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+0000cdc0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0000cdd0: 4d38 3536 2e34 2c2d 3339 352e 3339 4338 M856.4,-395.39C8\n+0000cde0: 3739 2e31 342c 2d33 3837 2e31 3620 3930 79.14,-387.16 90\n+0000cdf0: 392e 382c 2d33 3734 2e31 3920 3933 332e 9.8,-374.19 933.\n+0000ce00: 3536 2c2d 3335 372e 3232 2039 3535 2e33 56,-357.22 955.3\n+0000ce10: 332c 2d33 3431 2e36 3820 3937 352e 362c 3,-341.68 975.6,\n+0000ce20: 2d33 3138 2e35 3220 3938 382e 3637 2c2d -318.52 988.67,-\n+0000ce30: 3330 3222 2f3e 0a3c 706f 6c79 676f 6e20 302\"/>.<polygon \n+0000ce40: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+0000ce50: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+0000ce60: 706f 696e 7473 3d22 3939 312e 3438 2c2d points=\"991.48,-\n+0000ce70: 3330 342e 3039 2039 3934 2e38 322c 2d32 304.09 994.82,-2\n+0000ce80: 3934 2e30 3320 3938 352e 3933 2c2d 3239 94.03 985.93,-29\n+0000ce90: 392e 3831 2039 3931 2e34 382c 2d33 3034 9.81 991.48,-304\n+0000cea0: 2e30 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d .09\"/>.</g>.<!--\n+0000ceb0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+0000cec0: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+0000ced0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+0000cee0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0000cef0: 6c69 6220 2d2d 3e0a 3c67 2069 643d 2265 lib -->.<g id=\"e\n+0000cf00: 6467 6536 3622 2063 6c61 7373 3d22 6564 dge66\" class=\"ed\n+0000cf10: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+0000cf20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+0000cf30: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n+0000cf40: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000cf50: 5f67 726f 6d61 6373 5f6d 646c 6962 3c2f _gromacs_mdlib</\n+0000cf60: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0000cf70: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0000cf80: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+0000cf90: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+0000cfa0: 2064 3d22 4d38 3336 2e33 2c2d 3339 332e d=\"M836.3,-393.\n+0000cfb0: 3431 4338 3636 2e38 2c2d 3336 312e 3632 41C866.8,-361.62\n+0000cfc0: 2039 3438 2e36 382c 2d32 3736 2e32 3520 948.68,-276.25 \n+0000cfd0: 3938 352e 3336 2c2d 3233 382e 3032 222f 985.36,-238.02\"/\n+0000cfe0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d 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7263 5f67 726f 6d61 6373 5f61 7070 6c69 rc_gromacs_appli\n+0000d0e0: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n+0000d0f0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000d100: 6d61 6373 5f67 6d78 6c69 623c 2f74 6974 macs_gmxlib</tit\n+0000d110: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0000d120: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+0000d130: 6662 6662 6622 2064 3d22 4d38 3332 2e32 fbfbf\" d=\"M832.2\n+0000d140: 362c 2d34 3230 2e30 3543 3836 372e 3338 6,-420.05C867.38\n+0000d150: 2c2d 3437 362e 3438 2031 3031 312e 3733 ,-476.48 1011.73\n+0000d160: 2c2d 3730 372e 3435 2031 3033 382e 3536 ,-707.45 1038.56\n+0000d170: 2c2d 3733 342e 3434 2031 3035 312e 3637 ,-734.44 1051.67\n+0000d180: 2c2d 3734 372e 3633 2031 3036 382e 392c ,-747.63 1068.9,\n+0000d190: 2d37 3539 2e32 3620 3130 3833 2e33 332c -759.26 1083.33,\n+0000d1a0: 2d37 3637 2e38 3222 2f3e 0a3c 706f 6c79 -767.82\"/>.<poly\n+0000d1b0: 676f 6e20 6669 6c6c 3d22 2362 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tle>module_src_g\n+0000d2a0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+0000d2b0: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n+0000d2c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000d2d0: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a _fileio</title>.\n+0000d2e0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n+0000d2f0: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+0000d300: 6622 2064 3d22 4d38 3635 2e30 382c 2d34 f\" d=\"M865.08,-4\n+0000d310: 3136 2e31 3743 3930 392e 3939 2c2d 3432 16.17C909.99,-42\n+0000d320: 352e 3636 2039 3834 2e35 332c 2d34 3431 5.66 984.53,-441\n+0000d330: 2e35 3920 3130 3438 2e35 362c 2d34 3536 .59 1048.56,-456\n+0000d340: 2e30 3920 3132 3236 2e30 372c 2d34 3936 .09 1226.07,-496\n+0000d350: 2e32 3820 3136 3730 2e37 372c 2d35 3933 .28 1670.77,-593\n+0000d360: 2e39 3720 3138 3435 2e35 362c 2d36 3434 .97 1845.56,-644\n+0000d370: 2e37 2031 3834 372e 3432 2c2d 3634 352e .7 1847.42,-645.\n+0000d380: 3234 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6d6f 6475 de\">.<title>modu\n+0000d470: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0000d480: 6472 756e 7574 696c 6974 793c 2f74 6974 drunutility</tit\n+0000d490: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64 le>.<g id=\"a_nod\n+0000d4a0: 6533 3922 3e3c 6120 786c 696e 6b3a 6872 e39\"><a xlink:hr\n+0000d4b0: 6566 3d22 6772 6f75 705f 5f6d 6f64 756c ef=\"group__modul\n+0000d4c0: 655f 5f6d 6472 756e 7574 696c 6974 792e e__mdrunutility.\n+0000d4d0: 7868 746d 6c22 2074 6172 6765 743d 225f xhtml\" target=\"_\n+0000d4e0: 746f 7022 2078 6c69 6e6b 3a74 6974 6c65 top\" xlink:title\n+0000d4f0: 3d22 6d64 7275 6e75 7469 6c69 7479 223e =\"mdrunutility\">\n+0000d500: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 .<ellipse fill=\"\n+0000d510: 2365 3563 6366 6622 2073 7472 6f6b 653d #e5ccff\" stroke=\n+0000d520: 2262 6c61 636b 2220 6378 3d22 3136 3730 \"black\" cx=\"1670\n+0000d530: 2e35 3622 2063 793d 222d 3533 322e 3422 .56\" cy=\"-532.4\"\n+0000d540: 2072 783d 2234 372e 3235 2220 7279 3d22 rx=\"47.25\" ry=\"\n+0000d550: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074 13.37\"/>.<text t\n+0000d560: 6578 742d 616e 6368 6f72 3d22 6d69 6464 ext-anchor=\"midd\n+0000d570: 6c65 2220 783d 2231 3637 302e 3536 2220 le\" x=\"1670.56\" \n+0000d580: 793d 222d 3532 392e 3922 2066 6f6e 742d y=\"-529.9\" font-\n+0000d590: 6661 6d69 6c79 3d22 4672 6565 5361 6e73 family=\"FreeSans\n+0000d5a0: 2220 666f 6e74 2d73 697a 653d 2231 302e \" font-size=\"10.\n+0000d5b0: 3030 223e 6d64 7275 6e75 7469 6c69 7479 00\">mdrunutility\n+0000d5c0: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67 </text>.</a>.</g\n+0000d5d0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+0000d5e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+0000d5f0: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n+0000d600: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000d610: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n+0000d620: 696c 6974 7920 2d2d 3e0a 3c67 2069 643d ility -->.<g 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font-size=\n+0000db90: 2231 302e 3030 223e 656e 6572 6779 616e \"10.00\">energyan\n+0000dba0: 616c 7973 6973 3c2f 7465 7874 3e0a 3c2f alysis</text>.</\n+0000dbb0: 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d a>.</g>.</g>.<!-\n+0000dbc0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+0000dbd0: 6d61 6373 5f65 6e65 7267 7961 6e61 6c79 macs_energyanaly\n+0000dbe0: 7369 7326 2334 353b 2667 743b 6d6f 6475 sis->modu\n+0000dbf0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+0000dc00: 6d78 616e 6120 2d2d 3e0a 3c67 2069 643d mxana -->.<g id=\n+0000dc10: 2265 6467 6537 3422 2063 6c61 7373 3d22 \"edge74\" class=\"\n+0000dc20: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+0000dc30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000dc40: 5f65 6e65 7267 7961 6e61 6c79 7369 7326 _energyanalysis&\n+0000dc50: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000dc60: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n+0000dc70: 613c 2f74 6974 6c65 3e0a 3c70 6174 6820 a</title>.<path \n+0000dc80: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n+0000dc90: 6b65 3d22 2332 6363 6332 3822 2073 7472 ke=\"#2ccc28\" str\n+0000dca0: 6f6b 652d 6461 7368 6172 7261 793d 2235 oke-dasharray=\"5\n+0000dcb0: 2c32 2220 643d 224d 3136 3530 2e36 332c ,2\" d=\"M1650.63,\n+0000dcc0: 2d37 3936 2e35 3143 3137 3036 2e31 382c -796.51C1706.18,\n+0000dcd0: 2d38 3238 2e37 2031 3836 322e 3035 2c2d -828.7 1862.05,-\n+0000dce0: 3931 392e 3033 2031 3932 352e 3334 2c2d 919.03 1925.34,-\n+0000dcf0: 3935 352e 3731 222f 3e0a 3c70 6f6c 7967 955.71\"/>.<polyg\n+0000dd00: 6f6e 2066 696c 6c3d 2223 3263 6363 3238 on fill=\"#2ccc28\n+0000dd10: 2220 7374 726f 6b65 3d22 2332 6363 6332 \" stroke=\"#2ccc2\n+0000dd20: 3822 2070 6f69 6e74 733d 2231 3932 332e 8\" points=\"1923.\n+0000dd30: 3932 2c2d 3935 382e 3933 2031 3933 342e 92,-958.93 1934.\n+0000dd40: 3333 2c2d 3936 302e 3932 2031 3932 372e 33,-960.92 1927.\n+0000dd50: 3433 2c2d 3935 322e 3838 2031 3932 332e 43,-952.88 1923.\n+0000dd60: 3932 2c2d 3935 382e 3933 222f 3e0a 3c2f 92,-958.93\"/>.</\n+0000dd70: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0000dd80: 7263 5f67 726f 6d61 6373 5f65 6e65 7267 rc_gromacs_energ\n+0000dd90: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n+0000dda0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000ddb0: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n+0000ddc0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+0000ddd0: 3731 2220 636c 6173 733d 2265 6467 6522 71\" class=\"edge\"\n+0000dde0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0000ddf0: 7372 635f 6772 6f6d 6163 735f 656e 6572 src_gromacs_ener\n+0000de00: 6779 616e 616c 7973 6973 2623 3435 3b26 gyanalysis-&\n+0000de10: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000de20: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n+0000de30: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e</title>.<path \n+0000de40: 6669 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3c21 2d2d 206d 6\"/>.</g>.<!-- m\n+0000df30: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000df40: 735f 656e 6572 6779 616e 616c 7973 6973 s_energyanalysis\n+0000df50: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000df60: 7372 635f 6772 6f6d 6163 735f 7374 6174 src_gromacs_stat\n+0000df70: 6973 7469 6373 202d 2d3e 0a3c 6720 6964 istics -->.<g id\n+0000df80: 3d22 6564 6765 3733 2220 636c 6173 733d =\"edge73\" class=\n+0000df90: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+0000dfa0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000dfb0: 735f 656e 6572 6779 616e 616c 7973 6973 s_energyanalysis\n+0000dfc0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000dfd0: 7372 635f 6772 6f6d 6163 735f 7374 6174 src_gromacs_stat\n+0000dfe0: 6973 7469 6373 3c2f 7469 746c 653e 0a3c istics</title>.<\n+0000dff0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0000e000: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0000e010: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+0000e020: 6179 3d22 352c 3222 2064 3d22 4d31 3635 ay=\"5,2\" d=\"M165\n+0000e030: 312e 3531 2c2d 3737 312e 3238 4331 3636 1.51,-771.28C166\n+0000e040: 382e 3736 2c2d 3736 312e 3734 2031 3639 8.76,-761.74 169\n+0000e050: 332e 3337 2c2d 3734 382e 3132 2031 3731 3.37,-748.12 171\n+0000e060: 322e 3336 2c2d 3733 372e 3631 222f 3e0a 2.36,-737.61\"/>.\n+0000e070: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+0000e080: 3238 3266 6363 2220 7374 726f 6b65 3d22 282fcc\" stroke=\"\n+0000e090: 2332 3832 6663 6322 2070 6f69 6e74 733d #282fcc\" points=\n+0000e0a0: 2231 3731 342e 3131 2c2d 3734 302e 3634 \"1714.11,-740.64\n+0000e0b0: 2031 3732 312e 3136 2c2d 3733 322e 3734 1721.16,-732.74\n+0000e0c0: 2031 3731 302e 3732 2c2d 3733 342e 3532 1710.72,-734.52\n+0000e0d0: 2031 3731 342e 3131 2c2d 3734 302e 3634 1714.11,-740.64\n+0000e0e0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+0000e0f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000e100: 5f65 6e65 7267 7961 6e61 6c79 7369 7326 _energyanalysis&\n+0000e110: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000e120: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n+0000e130: 6f20 2d2d 3e0a 3c67 2069 643d 2265 6467 o -->.<g id=\"edg\n+0000e140: 6537 3222 2063 6c61 7373 3d22 6564 6765 e72\" class=\"edge\n+0000e150: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+0000e160: 5f73 7263 5f67 726f 6d61 6373 5f65 6e65 _src_gromacs_ene\n+0000e170: 7267 7961 6e61 6c79 7369 7326 2334 353b rgyanalysis-\n+0000e180: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000e190: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74 romacs_fileio</t\n+0000e1a0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0000e1b0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0000e1c0: 2362 6662 6662 6622 2064 3d22 4d31 3630 #bfbfbf\" d=\"M160\n+0000e1d0: 392e 3432 2c2d 3737 312e 3136 4331 3538 9.42,-771.16C158\n+0000e1e0: 342e 3936 2c2d 3735 362e 3134 2031 3535 4.96,-756.14 155\n+0000e1f0: 302e 3336 2c2d 3732 392e 3434 2031 3536 0.36,-729.44 156\n+0000e200: 392e 3536 2c2d 3730 372e 3537 2031 3631 9.56,-707.57 161\n+0000e210: 302e 3337 2c2d 3636 312e 3039 2031 3738 0.37,-661.09 178\n+0000e220: 352e 3335 2c2d 3638 352e 3734 2031 3834 5.35,-685.74 184\n+0000e230: 352e 3536 2c2d 3637 312e 3537 2031 3834 5.56,-671.57 184\n+0000e240: 372e 3439 2c2d 3637 312e 3132 2031 3834 7.49,-671.12 184\n+0000e250: 392e 3436 2c2d 3637 302e 3620 3138 3531 9.46,-670.6 1851\n+0000e260: 2e34 342c 2d36 3730 2e30 3422 2f3e 0a3c .44,-670.04\"/>.<\n+0000e270: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+0000e280: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+0000e290: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+0000e2a0: 3138 3532 2e37 322c 2d36 3733 2e33 2031 1852.72,-673.3 1\n+0000e2b0: 3836 312e 3231 2c2d 3636 362e 3937 2031 861.21,-666.97 1\n+0000e2c0: 3835 302e 3632 2c2d 3636 362e 3632 2031 850.62,-666.62 1\n+0000e2d0: 3835 322e 3732 2c2d 3637 332e 3322 2f3e 852.72,-673.3\"/>\n+0000e2e0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+0000e2f0: 655f 7372 635f 6772 6f6d 6163 735f 616e e_src_gromacs_an\n+0000e300: 616c 7973 6973 6461 7461 2623 3435 3b26 alysisdata-&\n+0000e310: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000e320: 6f6d 6163 735f 6669 6c65 696f 202d 2d3e omacs_fileio -->\n+0000e330: 0a3c 6720 6964 3d22 6564 6765 3735 2220 .<g id=\"edge75\" \n+0000e340: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+0000e350: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+0000e360: 6772 6f6d 6163 735f 616e 616c 7973 6973 gromacs_analysis\n+0000e370: 6461 7461 2623 3435 3b26 6774 3b6d 6f64 data->mod\n+0000e380: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000e390: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c fileio</title>.<\n+0000e3a0: 7061 7468 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635f <!-- module_src_\n+0000e490: 6772 6f6d 6163 735f 7461 736b 6173 7369 gromacs_taskassi\n+0000e4a0: 676e 6d65 6e74 202d 2d3e 0a3c 6720 6964 gnment -->.<g id\n+0000e4b0: 3d22 6e6f 6465 3136 2220 636c 6173 733d =\"node16\" class=\n+0000e4c0: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d \"node\">.<title>m\n+0000e4d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000e4e0: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n+0000e4f0: 3c2f 7469 746c 653e 0a3c 6720 6964 3d22 </title>.<g id=\"\n+0000e500: 615f 6e6f 6465 3136 223e 3c61 2078 6c69 a_node16\"><a xli\n+0000e510: 6e6b 3a68 7265 663d 2267 726f 7570 5f5f nk:href=\"group__\n+0000e520: 6d6f 6475 6c65 5f5f 7461 736b 6173 7369 module__taskassi\n+0000e530: 676e 6d65 6e74 2e78 6874 6d6c 2220 7461 gnment.xhtml\" ta\n+0000e540: 7267 6574 3d22 5f74 6f70 2220 786c 696e rget=\"_top\" xlin\n+0000e550: 6b3a 7469 746c 653d 2274 6173 6b61 7373 k:title=\"taskass\n+0000e560: 6967 6e6d 656e 7422 3e0a 3c65 6c6c 6970 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module_sr\n+0000e650: 635f 6772 6f6d 6163 735f 7461 736b 6173 c_gromacs_taskas\n+0000e660: 7369 676e 6d65 6e74 2623 3435 3b26 6774 signment->\n+0000e670: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000e680: 6163 735f 6861 7264 7761 7265 202d 2d3e acs_hardware -->\n+0000e690: 0a3c 6720 6964 3d22 6564 6765 3737 2220 .<g id=\"edge77\" \n+0000e6a0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+0000e6b0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+0000e6c0: 6772 6f6d 6163 735f 7461 736b 6173 7369 gromacs_taskassi\n+0000e6d0: 676e 6d65 6e74 2623 3435 3b26 6774 3b6d gnment->m\n+0000e6e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000e6f0: 735f 6861 7264 7761 7265 3c2f 7469 746c s_hardware</titl\n+0000e700: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0000e710: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+0000e720: 6266 6266 2220 643d 224d 3639 302e 3539 bfbf\" d=\"M690.59\n+0000e730: 2c2d 3333 302e 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module_src_groma\n+0000e820: 6373 5f74 6173 6b61 7373 6967 6e6d 656e cs_taskassignmen\n+0000e830: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n+0000e840: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+0000e850: 7970 6573 202d 2d3e 0a3c 6720 6964 3d22 ypes -->.<g id=\"\n+0000e860: 6564 6765 3830 2220 636c 6173 733d 2265 edge80\" class=\"e\n+0000e870: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+0000e880: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000e890: 7461 736b 6173 7369 676e 6d65 6e74 2623 taskassignment&#\n+0000e8a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000e8b0: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+0000e8c0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s</title>.<path \n+0000e8d0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n+0000e8e0: 6b65 3d22 2362 6662 6662 6622 2064 3d22 ke=\"#bfbfbf\" d=\"\n+0000e8f0: 4d36 3836 2e38 312c 2d33 3536 2e35 4336 M686.81,-356.5C6\n+0000e900: 3733 2e33 342c 2d33 3634 2e39 3220 3635 73.34,-364.92 65\n+0000e910: 362e 3839 2c2d 3337 372e 3533 2036 3437 6.89,-377.53 647\n+0000e920: 2e35 362c 2d33 3933 2e32 3220 3633 332e .56,-393.22 633.\n+0000e930: 3036 2c2d 3431 372e 3620 3633 392e 3031 06,-417.6 639.01\n+0000e940: 2c2d 3432 372e 3833 2036 3336 2e35 362c ,-427.83 636.56,\n+0000e950: 2d34 3536 2e30 3920 3632 302e 3732 2c2d -456.09 620.72,-\n+0000e960: 3633 382e 3537 2035 3932 2e30 382c 2d37 638.57 592.08,-7\n+0000e970: 3236 2e37 3420 3731 372e 3536 2c2d 3836 26.74 717.56,-86\n+0000e980: 302e 3138 2037 3438 2e36 392c 2d38 3933 0.18 748.69,-893\n+0000e990: 2e32 3920 3830 302e 3639 2c2d 3930 342e .29 800.69,-904.\n+0000e9a0: 3320 3833 382e 3939 2c2d 3930 372e 3722 3 838.99,-907.7\"\n+0000e9b0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+0000e9c0: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+0000e9d0: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n+0000e9e0: 7473 3d22 3833 392e 3138 2c2d 3931 312e ts=\"839.18,-911.\n+0000e9f0: 3232 2038 3439 2e34 312c 2d39 3038 2e34 22 849.41,-908.4\n+0000ea00: 3720 3833 392e 3639 2c2d 3930 342e 3234 7 839.69,-904.24\n+0000ea10: 2038 3339 2e31 382c 2d39 3131 2e32 3222 839.18,-911.22\"\n+0000ea20: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+0000ea30: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000ea40: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n+0000ea50: 7320 2d2d 3e0a 3c67 2069 643d 226e 6f64 s -->.<g id=\"nod\n+0000ea60: 6531 3722 2063 6c61 7373 3d22 6e6f 6465 e17\" class=\"node\n+0000ea70: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+0000ea80: 5f73 7263 5f67 726f 6d61 6373 5f65 7373 _src_gromacs_ess\n+0000ea90: 656e 7469 616c 6479 6e61 6d69 6373 3c2f entialdynamics</\n+0000eaa0: 7469 746c 653e 0a3c 656c 6c69 7073 6520 title>.<ellipse \n+0000eab0: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n+0000eac0: 7472 6f6b 653d 2262 6c61 636b 2220 6378 troke=\"black\" cx\n+0000ead0: 3d22 3130 3530 2e35 3622 2063 793d 222d =\"1050.56\" cy=\"-\n+0000eae0: 3135 352e 3138 2220 7278 3d22 3639 2e30 155.18\" rx=\"69.0\n+0000eaf0: 3922 2072 793d 2231 332e 3337 222f 3e0a 9\" ry=\"13.37\"/>.\n+0000eb00: 3c74 6578 7420 7465 7874 2d61 6e63 686f <text text-ancho\n+0000eb10: 723d 226d 6964 646c 6522 2078 3d22 3130 r=\"middle\" x=\"10\n+0000eb20: 3530 2e35 3622 2079 3d22 2d31 3532 2e36 50.56\" y=\"-152.6\n+0000eb30: 3822 2066 6f6e 742d 6661 6d69 6c79 3d22 8\" font-family=\"\n+0000eb40: 4672 6565 5361 6e73 2220 666f 6e74 2d73 FreeSans\" font-s\n+0000eb50: 697a 653d 2231 302e 3030 223e 6573 7365 ize=\"10.00\">esse\n+0000eb60: 6e74 6961 6c64 796e 616d 6963 733c 2f74 ntialdynamics</t\n+0000eb70: 6578 743e 0a3c 2f67 3e0a 3c21 2d2d 206d ext>.</g>.<!-- m\n+0000eb80: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000eb90: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n+0000eba0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000ebb0: 7372 635f 6772 6f6d 6163 735f 6573 7365 src_gromacs_esse\n+0000ebc0: 6e74 6961 6c64 796e 616d 6963 7320 2d2d ntialdynamics --\n+0000ebd0: 3e0a 3c67 2069 643d 2265 6467 6538 3422 >.<g id=\"edge84\"\n+0000ebe0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+0000ebf0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0000ec00: 5f67 726f 6d61 6373 5f74 6173 6b61 7373 _gromacs_taskass\n+0000ec10: 6967 6e6d 656e 7426 2334 353b 2667 743b ignment->\n+0000ec20: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000ec30: 6373 5f65 7373 656e 7469 616c 6479 6e61 cs_essentialdyna\n+0000ec40: 6d69 6373 3c2f 7469 746c 653e 0a3c 7061 mics</title>.<pa\n+0000ec50: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n+0000ec60: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+0000ec70: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+0000ec80: 3d22 352c 3222 2064 3d22 4d37 3237 2e33 =\"5,2\" d=\"M727.3\n+0000ec90: 392c 2d33 3330 2e39 3943 3736 372e 3236 9,-330.99C767.26\n+0000eca0: 2c2d 3330 362e 3231 2038 3633 2e34 352c ,-306.21 863.45,\n+0000ecb0: 2d32 3437 2e35 3220 3934 372e 3536 2c2d -247.52 947.56,-\n+0000ecc0: 3230 342e 3631 2039 3639 2e39 352c 2d31 204.61 969.95,-1\n+0000ecd0: 3933 2e31 3920 3939 352e 3531 2c2d 3138 93.19 995.51,-18\n+0000ece0: 312e 3136 2031 3031 352e 3537 2c2d 3137 1.16 1015.57,-17\n+0000ecf0: 312e 3935 222f 3e0a 3c70 6f6c 7967 6f6e 1.95\"/>.<polygon\n+0000ed00: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n+0000ed10: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n+0000ed20: 2070 6f69 6e74 733d 2231 3031 372e 332c points=\"1017.3,\n+0000ed30: 2d31 3735 2e30 3120 3130 3234 2e39 342c -175.01 1024.94,\n+0000ed40: 2d31 3637 2e36 3720 3130 3134 2e33 392c -167.67 1014.39,\n+0000ed50: 2d31 3638 2e36 3420 3130 3137 2e33 2c2d -168.64 1017.3,-\n+0000ed60: 3137 352e 3031 222f 3e0a 3c2f 673e 0a3c 175.01\"/>.</g>.<\n+0000ed70: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000ed80: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n+0000ed90: 6e6d 656e 7426 2334 353b 2667 743b 6d6f nment->mo\n+0000eda0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000edb0: 5f6c 6973 7465 645f 666f 7263 6573 202d _listed_forces -\n+0000edc0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3738 ->.<g id=\"edge78\n+0000edd0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+0000ede0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+0000edf0: 635f 6772 6f6d 6163 735f 7461 736b 6173 c_gromacs_taskas\n+0000ee00: 7369 676e 6d65 6e74 2623 3435 3b26 6774 signment->\n+0000ee10: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000ee20: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n+0000ee30: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s</title>.<path \n+0000ee40: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n+0000ee50: 6b65 3d22 2332 3832 6663 6322 2073 7472 ke=\"#282fcc\" str\n+0000ee60: 6f6b 652d 6461 7368 6172 7261 793d 2235 oke-dasharray=\"5\n+0000ee70: 2c32 2220 643d 224d 3639 382e 3333 2c2d ,2\" d=\"M698.33,-\n+0000ee80: 3333 302e 3434 4336 3832 2e38 382c 2d33 330.44C682.88,-3\n+0000ee90: 3130 2e39 2036 3534 2e32 362c 2d32 3731 10.9 654.26,-271\n+0000eea0: 2e30 3120 3634 332e 3536 2c2d 3233 312e .01 643.56,-231.\n+0000eeb0: 3438 2036 3430 2e34 342c 2d32 3139 2e39 48 640.44,-219.9\n+0000eec0: 3520 3634 302e 3239 2c2d 3231 362e 3120 5 640.29,-216.1 \n+0000eed0: 3634 332e 3536 2c2d 3230 342e 3631 2036 643.56,-204.61 6\n+0000eee0: 3436 2e33 382c 2d31 3934 2e36 3920 3635 46.38,-194.69 65\n+0000eef0: 312e 3838 2c2d 3138 342e 3831 2036 3537 1.88,-184.81 657\n+0000ef00: 2e34 312c 2d31 3736 2e35 3922 2f3e 0a3c .41,-176.59\"/>.<\n+0000ef10: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+0000ef20: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+0000ef30: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+0000ef40: 3636 302e 3331 2c2d 3137 382e 3536 2036 660.31,-178.56 6\n+0000ef50: 3633 2e33 2c2d 3136 382e 3420 3635 342e 63.3,-168.4 654.\n+0000ef60: 3632 2c2d 3137 342e 3438 2036 3630 2e33 62,-174.48 660.3\n+0000ef70: 312c 2d31 3738 2e35 3622 2f3e 0a3c 2f67 1,-178.56\"/>.</g\n+0000ef80: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+0000ef90: 635f 6772 6f6d 6163 735f 7461 736b 6173 c_gromacs_taskas\n+0000efa0: 7369 676e 6d65 6e74 2623 3435 3b26 6774 signment->\n+0000efb0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000efc0: 6163 735f 6577 616c 6420 2d2d 3e0a 3c67 acs_ewald -->.<g\n+0000efd0: 2069 643d 2265 6467 6537 3622 2063 6c61 id=\"edge76\" cla\n+0000efe0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0000eff0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0000f000: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n+0000f010: 656e 7426 2334 353b 2667 743b 6d6f 6475 ent->modu\n+0000f020: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+0000f030: 7761 6c64 3c2f 7469 746c 653e 0a3c 7061 wald</title>.<pa\n+0000f040: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n+0000f050: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+0000f060: 643d 224d 3639 352e 3939 2c2d 3335 372e d=\"M695.99,-357.\n+0000f070: 3134 4336 3733 2e37 2c2d 3338 302e 3631 14C673.7,-380.61\n+0000f080: 2036 3330 2e37 312c 2d34 3333 2e37 3120 630.71,-433.71 \n+0000f090: 3634 332e 3536 2c2d 3438 322e 3936 2036 643.56,-482.96 6\n+0000f0a0: 3833 2e39 382c 2d36 3337 2e38 3920 3731 83.98,-637.89 71\n+0000f0b0: 322e 3635 2c2d 3637 382e 3132 2038 3139 2.65,-678.12 819\n+0000f0c0: 2e35 362c 2d37 3937 2e33 3120 3833 312e .56,-797.31 831.\n+0000f0d0: 3335 2c2d 3831 302e 3436 2038 3437 2e33 35,-810.46 847.3\n+0000f0e0: 332c 2d38 3232 2e30 3720 3836 302e 3833 3,-822.07 860.83\n+0000f0f0: 2c2d 3833 302e 3632 222f 3e0a 3c70 6f6c ,-830.62\"/>.<pol\n+0000f100: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n+0000f110: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n+0000f120: 6663 6322 2070 6f69 6e74 733d 2238 3539 fcc\" points=\"859\n+0000f130: 2e33 352c 2d38 3333 2e38 3120 3836 392e .35,-833.81 869.\n+0000f140: 3731 2c2d 3833 362e 3033 2038 3632 2e39 71,-836.03 862.9\n+0000f150: 392c 2d38 3237 2e38 3420 3835 392e 3335 9,-827.84 859.35\n+0000f160: 2c2d 3833 332e 3831 222f 3e0a 3c2f 673e ,-833.81\"/>.</g>\n+0000f170: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+0000f180: 5f67 726f 6d61 6373 5f74 6173 6b61 7373 _gromacs_taskass\n+0000f190: 6967 6e6d 656e 7426 2334 353b 2667 743b ignment->\n+0000f1a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000f1b0: 6373 5f67 7075 5f75 7469 6c73 202d 2d3e cs_gpu_utils -->\n+0000f1c0: 0a3c 6720 6964 3d22 6564 6765 3835 2220 .<g id=\"edge85\" \n+0000f1d0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+0000f1e0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+0000f1f0: 6772 6f6d 6163 735f 7461 736b 6173 7369 gromacs_taskassi\n+0000f200: 676e 6d65 6e74 2623 3435 3b26 6774 3b6d gnment->m\n+0000f210: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000f220: 735f 6770 755f 7574 696c 733c 2f74 6974 s_gpu_utils</tit\n+0000f230: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0000f240: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+0000f250: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+0000f260: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+0000f270: 224d 3638 372e 3532 2c2d 3335 362e 3443 \"M687.52,-356.4C\n+0000f280: 3637 312e 3931 2c2d 3336 352e 3438 2036 671.91,-365.48 6\n+0000f290: 3530 2e34 392c 2d33 3738 2e39 3120 3633 50.49,-378.91 63\n+0000f2a0: 332e 3536 2c2d 3339 332e 3232 2035 3137 3.56,-393.22 517\n+0000f2b0: 2e38 382c 2d34 3930 2e39 3920 3437 392e .88,-490.99 479.\n+0000f2c0: 342c 2d35 3133 2e35 3920 3430 332e 3536 4,-513.59 403.56\n+0000f2d0: 2c2d 3634 342e 3720 3338 332e 3638 2c2d ,-644.7 383.68,-\n+0000f2e0: 3637 392e 3037 2033 3230 2e37 322c 2d38 679.07 320.72,-8\n+0000f2f0: 3537 2e36 3220 3330 392e 3536 2c2d 3935 57.62 309.56,-95\n+0000f300: 392e 3035 2033 3038 2e32 352c 2d39 3730 9.05 308.25,-970\n+0000f310: 2e39 3220 3330 342e 3739 2c2d 3937 342e .92 304.79,-974.\n+0000f320: 3937 2033 3039 2e35 362c 2d39 3835 2e39 97 309.56,-985.9\n+0000f330: 3220 3331 342e 3934 2c2d 3939 382e 3239 2 314.94,-998.29\n+0000f340: 2033 3235 2e32 322c 2d31 3030 382e 3934 325.22,-1008.94\n+0000f350: 2033 3335 2e32 322c 2d31 3031 372e 3037 335.22,-1017.07\n+0000f360: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+0000f370: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n+0000f380: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n+0000f390: 6e74 733d 2233 3333 2e33 362c 2d31 3032 nts=\"333.36,-102\n+0000f3a0: 302e 3035 2033 3433 2e34 352c 2d31 3032 0.05 343.45,-102\n+0000f3b0: 332e 3239 2033 3337 2e35 392c 2d31 3031 3.29 337.59,-101\n+0000f3c0: 342e 3437 2033 3333 2e33 362c 2d31 3032 4.47 333.36,-102\n+0000f3d0: 302e 3035 222f 3e0a 3c2f 673e 0a3c 212d 0.05\"/>.</g>.<!-\n+0000f3e0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+0000f3f0: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n+0000f400: 656e 7426 2334 353b 2667 743b 6d6f 6475 ent->modu\n+0000f410: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+0000f420: 6f6d 6465 6320 2d2d 3e0a 3c67 2069 643d omdec -->.<g id=\n+0000f430: 2265 6467 6538 3122 2063 6c61 7373 3d22 \"edge81\" class=\"\n+0000f440: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+0000f450: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000f460: 5f74 6173 6b61 7373 6967 6e6d 656e 7426 _taskassignment&\n+0000f470: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000f480: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+0000f490: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820 c</title>.<path \n+0000f4a0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n+0000f4b0: 6b65 3d22 2332 3832 6663 6322 2073 7472 ke=\"#282fcc\" str\n+0000f4c0: 6f6b 652d 6461 7368 6172 7261 793d 2235 oke-dasharray=\"5\n+0000f4d0: 2c32 2220 643d 224d 3735 302e 3833 2c2d ,2\" d=\"M750.83,-\n+0000f4e0: 3333 342e 3036 4338 3037 2e35 322c 2d33 334.06C807.52,-3\n+0000f4f0: 3232 2e33 3720 3930 372e 3439 2c2d 3330 22.37 907.49,-30\n+0000f500: 312e 3734 2039 3633 2e32 2c2d 3239 302e 1.74 963.2,-290.\n+0000f510: 3234 222f 3e0a 3c70 6f6c 7967 6f6e 2066 24\"/>.<polygon f\n+0000f520: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n+0000f530: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n+0000f540: 6f69 6e74 733d 2239 3633 2e39 382c 2d32 oints=\"963.98,-2\n+0000f550: 3933 2e36 3620 3937 332e 3036 2c2d 3238 93.66 973.06,-28\n+0000f560: 382e 3231 2039 3632 2e35 362c 2d32 3836 8.21 962.56,-286\n+0000f570: 2e38 2039 3633 2e39 382c 2d32 3933 2e36 .8 963.98,-293.6\n+0000f580: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6\"/>.</g>.<!-- m\n+0000f590: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000f5a0: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n+0000f5b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000f5c0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+0000f5d0: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467 b -->.<g id=\"edg\n+0000f5e0: 6537 3922 2063 6c61 7373 3d22 6564 6765 e79\" class=\"edge\n+0000f5f0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+0000f600: 5f73 7263 5f67 726f 6d61 6373 5f74 6173 _src_gromacs_tas\n+0000f610: 6b61 7373 6967 6e6d 656e 7426 2334 353b kassignment-\n+0000f620: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000f630: 726f 6d61 6373 5f6d 646c 6962 3c2f 7469 romacs_mdlib</ti\n+0000f640: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0000f650: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0000f660: 6266 6266 6266 2220 643d 224d 3733 392e bfbfbf\" d=\"M739.\n+0000f670: 3331 2c2d 3333 322e 3037 4337 3634 2e38 31,-332.07C764.8\n+0000f680: 382c 2d33 3232 2e38 3820 3830 322e 3036 8,-322.88 802.06\n+0000f690: 2c2d 3330 382e 3835 2038 3333 2e35 362c ,-308.85 833.56,\n+0000f6a0: 2d32 3934 2e33 3520 3835 362e 3438 2c2d -294.35 856.48,-\n+0000f6b0: 3238 332e 3820 3836 302e 3732 2c2d 3237 283.8 860.72,-27\n+0000f6c0: 382e 3139 2038 3833 2e35 362c 2d32 3637 8.19 883.56,-267\n+0000f6d0: 2e34 3820 3931 332e 3234 2c2d 3235 332e .48 913.24,-253.\n+0000f6e0: 3537 2039 3438 2e30 372c 2d32 3339 2e37 57 948.07,-239.7\n+0000f6f0: 3820 3937 322e 3533 2c2d 3233 302e 3522 8 972.53,-230.5\"\n+0000f700: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+0000f710: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+0000f720: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n+0000f730: 7473 3d22 3937 332e 3839 2c2d 3233 332e ts=\"973.89,-233.\n+0000f740: 3732 2039 3832 2e30 312c 2d32 3236 2e39 72 982.01,-226.9\n+0000f750: 3320 3937 312e 3432 2c2d 3232 372e 3137 3 971.42,-227.17\n+0000f760: 2039 3733 2e38 392c 2d32 3333 2e37 3222 973.89,-233.72\"\n+0000f770: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+0000f780: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000f790: 7461 736b 6173 7369 676e 6d65 6e74 2623 taskassignment&#\n+0000f7a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000f7b0: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n+0000f7c0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+0000f7d0: 3832 2220 636c 6173 733d 2265 6467 6522 82\" class=\"edge\"\n+0000f7e0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0000f7f0: 7372 635f 6772 6f6d 6163 735f 7461 736b src_gromacs_task\n+0000f800: 6173 7369 676e 6d65 6e74 2623 3435 3b26 assignment-&\n+0000f810: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000f820: 6f6d 6163 735f 676d 786c 6962 3c2f 7469 omacs_gmxlib</ti\n+0000f830: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0000f840: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" 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6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+0000f940: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n+0000f950: 7473 3d22 3130 3732 2e35 2c2d 3737 392e ts=\"1072.5,-779.\n+0000f960: 3133 2031 3038 332e 3033 2c2d 3737 372e 13 1083.03,-777.\n+0000f970: 3932 2031 3037 342e 3034 2c2d 3737 322e 92 1074.04,-772.\n+0000f980: 3320 3130 3732 2e35 2c2d 3737 392e 3133 3 1072.5,-779.13\n+0000f990: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+0000f9a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000f9b0: 5f74 6173 6b61 7373 6967 6e6d 656e 7426 _taskassignment&\n+0000f9c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000f9d0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+0000f9e0: 7574 696c 6974 7920 2d2d 3e0a 3c67 2069 utility -->.<g i\n+0000f9f0: 643d 2265 6467 6538 3322 2063 6c61 7373 d=\"edge83\" class\n+0000fa00: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+0000fa10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000fa20: 6373 5f74 6173 6b61 7373 6967 6e6d 656e cs_taskassignmen\n+0000fa30: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n+0000fa40: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+0000fa50: 756e 7574 696c 6974 793c 2f74 6974 6c65 unutility</title\n+0000fa60: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0000fa70: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+0000fa80: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+0000fa90: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+0000faa0: 3736 372e 3331 2c2d 3334 372e 3436 4339 767.31,-347.46C9\n+0000fab0: 3333 2e30 322c 2d33 3535 2e31 3620 3133 33.02,-355.16 13\n+0000fac0: 3936 2e34 372c 2d33 3737 2e38 3120 3134 96.47,-377.81 14\n+0000fad0: 3633 2e35 362c 2d33 3933 2e32 3220 3135 63.56,-393.22 15\n+0000fae0: 3335 2e36 312c 2d34 3039 2e37 3720 3135 35.61,-409.77 15\n+0000faf0: 3539 2e37 332c 2d34 3130 2e30 3320 3136 59.73,-410.03 16\n+0000fb00: 3137 2e35 362c 2d34 3536 2e30 3920 3136 17.56,-456.09 16\n+0000fb10: 3335 2e38 352c 2d34 3730 2e36 3620 3136 35.85,-470.66 16\n+0000fb20: 3530 2e35 352c 2d34 3933 2e31 3720 3136 50.55,-493.17 16\n+0000fb30: 3539 2e37 382c 2d35 3039 2e37 3922 2f3e 59.78,-509.79\"/>\n+0000fb40: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0000fb50: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n+0000fb60: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n+0000fb70: 3d22 3136 3536 2e37 382c 2d35 3131 2e36 =\"1656.78,-511.6\n+0000fb80: 2031 3636 342e 3537 2c2d 3531 382e 3738 1664.57,-518.78\n+0000fb90: 2031 3636 322e 3936 2c2d 3530 382e 3331 1662.96,-508.31\n+0000fba0: 2031 3635 362e 3738 2c2d 3531 312e 3622 1656.78,-511.6\"\n+0000fbb0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+0000fbc0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000fbd0: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n+0000fbe0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+0000fbf0: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n+0000fc00: 6d61 6e64 6c69 6e65 202d 2d3e 0a3c 6720 mandline -->.<g \n+0000fc10: 6964 3d22 6564 6765 3836 2220 636c 6173 id=\"edge86\" clas\n+0000fc20: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+0000fc30: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0000fc40: 6163 735f 6573 7365 6e74 6961 6c64 796e acs_essentialdyn\n+0000fc50: 616d 6963 7326 2334 353b 2667 743b 6d6f amics->mo\n+0000fc60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000fc70: 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 _commandline</ti\n+0000fc80: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0000fc90: 226e 6f6e 6522 2073 7472 6f6b 653d 2262 \"none\" stroke=\"b\n+0000fca0: 6c61 636b 2220 7374 726f 6b65 2d64 6173 lack\" stroke-das\n+0000fcb0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0000fcc0: 4d31 3131 362e 3938 2c2d 3135 392e 3032 M1116.98,-159.02\n+0000fcd0: 4331 3234 342e 3437 2c2d 3136 3520 3135 C1244.47,-165 15\n+0000fce0: 3133 2e39 372c 2d31 3830 2e33 3720 3135 13.97,-180.37 15\n+0000fcf0: 3438 2e35 362c 2d32 3034 2e36 3120 3136 48.56,-204.61 16\n+0000fd00: 3139 2e35 382c 2d32 3534 2e33 3820 3135 19.58,-254.38 15\n+0000fd10: 3931 2e37 332c 2d33 3036 2e37 3720 3135 91.73,-306.77 15\n+0000fd20: 3938 2e35 362c 2d33 3933 2e32 3220 3136 98.56,-393.22 16\n+0000fd30: 3036 2e31 392c 2d34 3839 2e37 3420 3135 06.19,-489.74 15\n+0000fd40: 3335 2e39 342c 2d35 3136 2e38 3520 3135 35.94,-516.85 15\n+0000fd50: 3636 2e35 362c 2d36 3038 2e37 2031 3537 66.56,-608.7 157\n+0000fd60: 322e 3838 2c2d 3632 372e 3637 2031 3538 2.88,-627.67 158\n+0000fd70: 332e 312c 2d36 3237 2e36 3520 3135 3933 3.1,-627.65 1593\n+0000fd80: 2e35 362c 2d36 3434 2e37 2031 3630 342e .56,-644.7 1604.\n+0000fd90: 3234 2c2d 3636 322e 3132 2031 3631 342e 24,-662.12 1614.\n+0000fda0: 3333 2c2d 3638 332e 3036 2031 3632 312e 33,-683.06 1621.\n+0000fdb0: 3236 2c2d 3639 382e 3433 222f 3e0a 3c70 26,-698.43\"/>.<p\n+0000fdc0: 6f6c 7967 6f6e 2066 696c 6c3d 2262 6c61 olygon fill=\"bla\n+0000fdd0: 636b 2220 7374 726f 6b65 3d22 626c 6163 ck\" stroke=\"blac\n+0000fde0: 6b22 2070 6f69 6e74 733d 2231 3631 382e k\" points=\"1618.\n+0000fdf0: 3039 2c2d 3639 392e 3931 2031 3632 352e 09,-699.91 1625.\n+0000fe00: 3334 2c2d 3730 372e 3634 2031 3632 342e 34,-707.64 1624.\n+0000fe10: 3439 2c2d 3639 372e 3037 2031 3631 382e 49,-697.07 1618.\n+0000fe20: 3039 2c2d 3639 392e 3931 222f 3e0a 3c2f 09,-699.91\"/>.</\n+0000fe30: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0000fe40: 7263 5f67 726f 6d61 6373 5f65 7373 656e rc_gromacs_essen\n+0000fe50: 7469 616c 6479 6e61 6d69 6373 2623 3435 tialdynamics-\n+0000fe60: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000fe70: 6772 6f6d 6163 735f 6d64 7479 7065 7320 gromacs_mdtypes \n+0000fe80: 2d2d 3e0a 3c67 2069 643d 2265 6467 6539 -->.<g id=\"edge9\n+0000fe90: 3222 2063 6c61 7373 3d22 6564 6765 223e 2\" class=\"edge\">\n+0000fea0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0000feb0: 7263 5f67 726f 6d61 6373 5f65 7373 656e rc_gromacs_essen\n+0000fec0: 7469 616c 6479 6e61 6d69 6373 2623 3435 tialdynamics-\n+0000fed0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000fee0: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n+0000fef0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0000ff00: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0000ff10: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n+0000ff20: 3031 302e 3033 2c2d 3136 362e 3243 3838 010.03,-166.2C88\n+0000ff30: 372e 3339 2c2d 3139 372e 3733 2035 3238 7.39,-197.73 528\n+0000ff40: 2e35 362c 2d32 3939 2e30 3620 3532 382e .56,-299.06 528.\n+0000ff50: 3536 2c2d 3430 352e 3636 2035 3238 2e35 56,-405.66 528.5\n+0000ff60: 362c 2d34 3730 2e35 3320 3532 382e 3536 6,-470.53 528.56\n+0000ff70: 2c2d 3437 302e 3533 2035 3238 2e35 362c ,-470.53 528.56,\n+0000ff80: 2d34 3730 2e35 3320 3532 382e 3536 2c2d -470.53 528.56,-\n+0000ff90: 3635 332e 3233 2035 3034 2e36 372c 2d37 653.23 504.67,-7\n+0000ffa0: 3633 2e32 3820 3635 392e 3536 2c2d 3836 63.28 659.56,-86\n+0000ffb0: 302e 3138 2037 3134 2e36 392c 2d38 3934 0.18 714.69,-894\n+0000ffc0: 2e36 3720 3739 302e 3436 2c2d 3930 342e .67 790.46,-904.\n+0000ffd0: 3935 2038 3339 2e32 322c 2d39 3037 2e38 95 839.22,-907.8\n+0000ffe0: 3222 2f3e 0a3c 706f 6c79 676f 6e20 6669 2\"/>.<polygon fi\n+0000fff0: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+00010000: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n+00010010: 696e 7473 3d22 3833 392e 3334 2c2d 3931 ints=\"839.34,-91\n+00010020: 312e 3333 2038 3439 2e35 2c2d 3930 382e 1.33 849.5,-908.\n+00010030: 3333 2038 3339 2e36 392c 2d39 3034 2e33 33 839.69,-904.3\n+00010040: 3420 3833 392e 3334 2c2d 3931 312e 3333 4 839.34,-911.33\n+00010050: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+00010060: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00010070: 5f65 7373 656e 7469 616c 6479 6e61 6d69 _essentialdynami\n+00010080: 6373 2623 3435 3b26 6774 3b6d 6f64 756c cs->modul\n+00010090: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n+000100a0: 6d64 6563 202d 2d3e 0a3c 6720 6964 3d22 mdec -->.<g id=\"\n+000100b0: 6564 6765 3837 2220 636c 6173 733d 2265 edge87\" class=\"e\n+000100c0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+000100d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000100e0: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n+000100f0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00010100: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n+00010110: 6465 633c 2f74 6974 6c65 3e0a 3c70 6174 dec</title>.<pat\n+00010120: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n+00010130: 726f 6b65 3d22 2332 3832 6663 6322 2073 roke=\"#282fcc\" s\n+00010140: 7472 6f6b 652d 6461 7368 6172 7261 793d troke-dasharray=\n+00010150: 2235 2c32 2220 643d 224d 3130 3530 2e38 \"5,2\" d=\"M1050.8\n+00010160: 342c 2d31 3638 2e36 3843 3130 3530 2e37 4,-168.68C1050.7\n+00010170: 352c 2d31 3834 2e30 3420 3130 3439 2e31 5,-184.04 1049.1\n+00010180: 382c 2d32 3130 2e36 3420 3130 3430 2e35 8,-210.64 1040.5\n+00010190: 362c 2d32 3331 2e34 3820 3130 3336 2e32 6,-231.48 1036.2\n+000101a0: 352c 2d32 3431 2e38 3920 3130 3239 2e31 5,-241.89 1029.1\n+000101b0: 332c 2d32 3532 2e30 3320 3130 3232 2e32 3,-252.03 1022.2\n+000101c0: 372c 2d32 3630 2e33 3122 2f3e 0a3c 706f 7,-260.31\"/>.<po\n+000101d0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n+000101e0: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n+000101f0: 3266 6363 2220 706f 696e 7473 3d22 3130 2fcc\" points=\"10\n+00010200: 3139 2e35 372c 2d32 3538 2e30 3820 3130 19.57,-258.08 10\n+00010210: 3135 2e36 322c 2d32 3637 2e39 3220 3130 15.62,-267.92 10\n+00010220: 3234 2e38 342c 2d32 3632 2e36 3920 3130 24.84,-262.69 10\n+00010230: 3139 2e35 372c 2d32 3538 2e30 3822 2f3e 19.57,-258.08\"/>\n+00010240: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00010250: 655f 7372 635f 6772 6f6d 6163 735f 6573 e_src_gromacs_es\n+00010260: 7365 6e74 6961 6c64 796e 616d 6963 7326 sentialdynamics&\n+00010270: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00010280: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+00010290: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+000102a0: 3930 2220 636c 6173 733d 2265 6467 6522 90\" class=\"edge\"\n+000102b0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+000102c0: 7372 635f 6772 6f6d 6163 735f 6573 7365 src_gromacs_esse\n+000102d0: 6e74 6961 6c64 796e 616d 6963 7326 2334 ntialdynamics\n+000102e0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000102f0: 5f67 726f 6d61 6373 5f6d 646c 6962 3c2f _gromacs_mdlib</\n+00010300: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00010310: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00010320: 2223 6266 6266 6266 2220 643d 224d 3130 \"#bfbfbf\" d=\"M10\n+00010330: 3436 2e35 2c2d 3136 382e 3634 4331 3034 46.5,-168.64C104\n+00010340: 312e 3134 2c2d 3137 372e 3237 2031 3033 1.14,-177.27 103\n+00010350: 322e 3339 2c2d 3138 382e 3839 2031 3032 2.39,-188.89 102\n+00010360: 342e 3038 2c2d 3139 382e 3538 222f 3e0a 4.08,-198.58\"/>.\n+00010370: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+00010380: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n+00010390: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n+000103a0: 2231 3032 312e 3335 2c2d 3139 362e 3338 \"1021.35,-196.38\n+000103b0: 2031 3031 372e 3238 2c2d 3230 362e 3136 1017.28,-206.16\n+000103c0: 2031 3032 362e 3536 2c2d 3230 312e 3036 1026.56,-201.06\n+000103d0: 2031 3032 312e 3335 2c2d 3139 362e 3338 1021.35,-196.38\n+000103e0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+000103f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00010400: 5f65 7373 656e 7469 616c 6479 6e61 6d69 _essentialdynami\n+00010410: 6373 2623 3435 3b26 6774 3b6d 6f64 756c cs->modul\n+00010420: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00010430: 786c 6962 202d 2d3e 0a3c 6720 6964 3d22 xlib -->.<g id=\"\n+00010440: 6564 6765 3839 2220 636c 6173 733d 2265 edge89\" class=\"e\n+00010450: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00010460: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00010470: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n+00010480: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00010490: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+000104a0: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib</title>.<pat\n+000104b0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n+000104c0: 726f 6b65 3d22 2362 6662 6662 6622 2064 roke=\"#bfbfbf\" d\n+000104d0: 3d22 4d31 3131 332e 3031 2c2d 3136 312e =\"M1113.01,-161.\n+000104e0: 3137 4331 3233 312e 3238 2c2d 3137 322e 17C1231.28,-172.\n+000104f0: 3036 2031 3438 302e 3737 2c2d 3230 322e 06 1480.77,-202.\n+00010500: 3337 2031 3533 322e 3536 2c2d 3236 372e 37 1532.56,-267.\n+00010510: 3438 2031 3537 362e 3636 2c2d 3332 322e 48 1576.66,-322.\n+00010520: 3932 2031 3533 382e 3939 2c2d 3337 322e 92 1538.99,-372.\n+00010530: 3435 2031 3438 362e 3536 2c2d 3432 302e 45 1486.56,-420.\n+00010540: 3039 2031 3433 392e 3635 2c2d 3436 322e 09 1439.65,-462.\n+00010550: 3732 2031 3339 352e 3838 2c2d 3431 332e 72 1395.88,-413.\n+00010560: 3932 2031 3334 382e 3536 2c2d 3435 362e 92 1348.56,-456.\n+00010570: 3039 2031 3239 392e 3033 2c2d 3530 302e 09 1299.03,-500.\n+00010580: 3233 2031 3238 372e 3733 2c2d 3638 372e 23 1287.73,-687.\n+00010590: 3738 2031 3234 302e 3536 2c2d 3733 342e 78 1240.56,-734.\n+000105a0: 3434 2031 3231 362e 342c 2d37 3538 2e33 44 1216.4,-758.3\n+000105b0: 3420 3131 3739 2e33 332c 2d37 3730 2e36 4 1179.33,-770.6\n+000105c0: 3320 3131 3531 2e31 322c 2d37 3736 2e38 3 1151.12,-776.8\n+000105d0: 3322 2f3e 0a3c 706f 6c79 676f 6e20 6669 3\"/>.<polygon fi\n+000105e0: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+000105f0: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n+00010600: 696e 7473 3d22 3131 3530 2e32 372c 2d37 ints=\"1150.27,-7\n+00010610: 3733 2e34 3420 3131 3431 2e31 372c 2d37 73.44 1141.17,-7\n+00010620: 3738 2e38 3620 3131 3531 2e36 362c 2d37 78.86 1151.66,-7\n+00010630: 3830 2e33 2031 3135 302e 3237 2c2d 3737 80.3 1150.27,-77\n+00010640: 332e 3434 222f 3e0a 3c2f 673e 0a3c 212d 3.44\"/>.</g>.<!-\n+00010650: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00010660: 6d61 6373 5f65 7373 656e 7469 616c 6479 macs_essentialdy\n+00010670: 6e61 6d69 6373 2623 3435 3b26 6774 3b6d namics->m\n+00010680: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00010690: 735f 6669 6c65 696f 202d 2d3e 0a3c 6720 s_fileio -->.<g \n+000106a0: 6964 3d22 6564 6765 3838 2220 636c 6173 id=\"edge88\" clas\n+000106b0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+000106c0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+000106d0: 6163 735f 6573 7365 6e74 6961 6c64 796e acs_essentialdyn\n+000106e0: 616d 6963 7326 2334 353b 2667 743b 6d6f amics->mo\n+000106f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00010700: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a _fileio</title>.\n+00010710: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n+00010720: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+00010730: 6622 2064 3d22 4d31 3131 382e 3036 2c2d f\" d=\"M1118.06,-\n+00010740: 3135 382e 3236 4331 3331 362e 3135 2c2d 158.26C1316.15,-\n+00010750: 3136 342e 3631 2031 3838 342e 3139 2c2d 164.61 1884.19,-\n+00010760: 3138 342e 3438 2031 3931 382e 3536 2c2d 184.48 1918.56,-\n+00010770: 3230 342e 3631 2031 3936 312e 3432 2c2d 204.61 1961.42,-\n+00010780: 3232 392e 3732 2032 3032 342e 3637 2c2d 229.72 2024.67,-\n+00010790: 3334 352e 3532 2032 3033 382e 3536 2c2d 345.52 2038.56,-\n+000107a0: 3339 332e 3232 2032 3036 352e 342c 2d34 393.22 2065.4,-4\n+000107b0: 3835 2e33 3920 3230 3832 2e34 372c 2d35 85.39 2082.47,-5\n+000107c0: 3332 2e39 2032 3032 332e 3536 2c2d 3630 32.9 2023.56,-60\n+000107d0: 382e 3720 3139 3938 2e37 352c 2d36 3430 8.7 1998.75,-640\n+000107e0: 2e36 3220 3139 3531 2e38 332c 2d36 3531 .62 1951.83,-651\n+000107f0: 2e36 3420 3139 3138 2e37 332c 2d36 3535 .64 1918.73,-655\n+00010800: 2e33 3722 2f3e 0a3c 706f 6c79 676f 6e20 .37\"/>.<polygon \n+00010810: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n+00010820: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n+00010830: 706f 696e 7473 3d22 3139 3138 2e31 342c points=\"1918.14,\n+00010840: 2d36 3531 2e39 3120 3139 3038 2e35 312c -651.91 1908.51,\n+00010850: 2d36 3536 2e33 3420 3139 3138 2e38 2c2d -656.34 1918.8,-\n+00010860: 3635 382e 3838 2031 3931 382e 3134 2c2d 658.88 1918.14,-\n+00010870: 3635 312e 3931 222f 3e0a 3c2f 673e 0a3c 651.91\"/>.</g>.<\n+00010880: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00010890: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n+000108a0: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n+000108b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000108c0: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n+000108d0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+000108e0: 3931 2220 636c 6173 733d 2265 6467 6522 91\" class=\"edge\"\n+000108f0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00010900: 7372 635f 6772 6f6d 6163 735f 6573 7365 src_gromacs_esse\n+00010910: 6e74 6961 6c64 796e 616d 6963 7326 2334 ntialdynamics\n+00010920: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00010930: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n+00010940: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility</title>.<p\n+00010950: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n+00010960: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n+00010970: 2073 7472 6f6b 652d 6461 7368 6172 7261 stroke-dasharra\n+00010980: 793d 2235 2c32 2220 643d 224d 3131 3139 y=\"5,2\" d=\"M1119\n+00010990: 2e35 392c 2d31 3536 2e35 4331 3234 372e .59,-156.5C1247.\n+000109a0: 3333 2c2d 3135 382e 3033 2031 3531 352e 33,-158.03 1515.\n+000109b0: 3137 2c2d 3136 352e 3933 2031 3539 382e 17,-165.93 1598.\n+000109c0: 3536 2c2d 3230 342e 3631 2031 3730 302e 56,-204.61 1700.\n+000109d0: 3637 2c2d 3235 312e 3937 2031 3733 342e 67,-251.97 1734.\n+000109e0: 3839 2c2d 3238 352e 3531 2031 3736 372e 89,-285.51 1767.\n+000109f0: 3536 2c2d 3339 332e 3232 2031 3737 392e 56,-393.22 1779.\n+00010a00: 332c 2d34 3331 2e39 3220 3137 3736 2e35 3,-431.92 1776.5\n+00010a10: 372c 2d34 3530 2e34 3220 3137 3532 2e35 7,-450.42 1752.5\n+00010a20: 362c 2d34 3832 2e39 3620 3137 3431 2e33 6,-482.96 1741.3\n+00010a30: 322c 2d34 3938 2e32 2031 3732 332e 3732 2,-498.2 1723.72\n+00010a40: 2c2d 3530 392e 3439 2031 3730 372e 3731 ,-509.49 1707.71\n+00010a50: 2c2d 3531 372e 3333 222f 3e0a 3c70 6f6c ,-517.33\"/>.<pol\n+00010a60: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n+00010a70: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n+00010a80: 6663 6322 2070 6f69 6e74 733d 2231 3730 fcc\" points=\"170\n+00010a90: 362e 3135 2c2d 3531 342e 3139 2031 3639 6.15,-514.19 169\n+00010aa0: 382e 3532 2c2d 3532 312e 3534 2031 3730 8.52,-521.54 170\n+00010ab0: 392e 3037 2c2d 3532 302e 3535 2031 3730 9.07,-520.55 170\n+00010ac0: 362e 3135 2c2d 3531 342e 3139 222f 3e0a 6.15,-514.19\"/>.\n+00010ad0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00010ae0: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64 _src_gromacs_imd\n+00010af0: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465 -->.<g id=\"node\n+00010b00: 3139 2220 636c 6173 733d 226e 6f64 6522 19\" class=\"node\"\n+00010b10: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00010b20: 7372 635f 6772 6f6d 6163 735f 696d 643c src_gromacs_imd<\n+00010b30: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261 /title>.<g id=\"a\n+00010b40: 5f6e 6f64 6531 3922 3e3c 6120 786c 696e _node19\"><a xlin\n+00010b50: 6b3a 6872 6566 3d22 6772 6f75 705f 5f6d k:href=\"group__m\n+00010b60: 6f64 756c 655f 5f69 6d64 2e78 6874 6d6c odule__imd.xhtml\n+00010b70: 2220 7461 7267 6574 3d22 5f74 6f70 2220 \" target=\"_top\" \n+00010b80: 786c 696e 6b3a 7469 746c 653d 2269 6d64 xlink:title=\"imd\n+00010b90: 223e 0a3c 656c 6c69 7073 6520 6669 6c6c \">.<ellipse fill\n+00010ba0: 3d22 2365 3563 6366 6622 2073 7472 6f6b =\"#e5ccff\" strok\n+00010bb0: 653d 2262 6c61 636b 2220 6378 3d22 3136 e=\"black\" cx=\"16\n+00010bc0: 3333 2e35 3622 2063 793d 222d 3135 352e 33.56\" cy=\"-155.\n+00010bd0: 3138 2220 7278 3d22 3237 2220 7279 3d22 18\" rx=\"27\" ry=\"\n+00010be0: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074 13.37\"/>.<text t\n+00010bf0: 6578 742d 616e 6368 6f72 3d22 6d69 6464 ext-anchor=\"midd\n+00010c00: 6c65 2220 783d 2231 3633 332e 3536 2220 le\" x=\"1633.56\" \n+00010c10: 793d 222d 3135 322e 3638 2220 666f 6e74 y=\"-152.68\" font\n+00010c20: 2d66 616d 696c 793d 2246 7265 6553 616e -family=\"FreeSan\n+00010c30: 7322 2066 6f6e 742d 7369 7a65 3d22 3130 s\" font-size=\"10\n+00010c40: 2e30 3022 3e69 6d64 3c2f 7465 7874 3e0a .00\">imd</text>.\n+00010c50: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c </a>.</g>.</g>.<\n+00010c60: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00010c70: 726f 6d61 6373 5f69 6d64 2623 3435 3b26 romacs_imd-&\n+00010c80: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00010c90: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n+00010ca0: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467 e -->.<g id=\"edg\n+00010cb0: 6539 3322 2063 6c61 7373 3d22 6564 6765 e93\" class=\"edge\n+00010cc0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00010cd0: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64 _src_gromacs_imd\n+00010ce0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00010cf0: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n+00010d00: 616e 646c 696e 653c 2f74 6974 6c65 3e0a andline</title>.\n+00010d10: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n+00010d20: 2220 7374 726f 6b65 3d22 626c 6163 6b22 \" stroke=\"black\"\n+00010d30: 2073 7472 6f6b 652d 6461 7368 6172 7261 stroke-dasharra\n+00010d40: 793d 2235 2c32 2220 643d 224d 3136 3630 y=\"5,2\" d=\"M1660\n+00010d50: 2e34 372c 2d31 3537 2e31 3743 3137 3139 .47,-157.17C1719\n+00010d60: 2e34 382c 2d31 3631 2031 3835 392e 3636 .48,-161 1859.66\n+00010d70: 2c2d 3137 392e 3338 2031 3931 382e 3536 ,-179.38 1918.56\n+00010d80: 2c2d 3236 372e 3438 2031 3935 362e 3339 ,-267.48 1956.39\n+00010d90: 2c2d 3332 342e 3037 2031 3933 352e 3837 ,-324.07 1935.87\n+00010da0: 2c2d 3335 392e 3134 2031 3930 352e 3536 ,-359.14 1905.56\n+00010db0: 2c2d 3432 302e 3039 2031 3837 322e 3539 ,-420.09 1872.59\n+00010dc0: 2c2d 3438 362e 3339 2031 3730 392e 322c ,-486.39 1709.2,\n+00010dd0: 2d36 3435 2e32 3320 3136 3531 2e31 312c -645.23 1651.11,\n+00010de0: 2d37 3030 2e35 3822 2f3e 0a3c 706f 6c79 -700.58\"/>.<poly\n+00010df0: 676f 6e20 6669 6c6c 3d22 626c 6163 6b22 gon fill=\"black\"\n+00010e00: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+00010e10: 706f 696e 7473 3d22 3136 3438 2e34 372c points=\"1648.47,\n+00010e20: 2d36 3938 2e32 3620 3136 3433 2e36 332c -698.26 1643.63,\n+00010e30: 2d37 3037 2e36 3920 3136 3533 2e32 392c -707.69 1653.29,\n+00010e40: 2d37 3033 2e33 3420 3136 3438 2e34 372c -703.34 1648.47,\n+00010e50: 2d36 3938 2e32 3622 2f3e 0a3c 2f67 3e0a -698.26\"/>.</g>.\n+00010e60: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00010e70: 6772 6f6d 6163 735f 696d 6426 2334 353b gromacs_imd-\n+00010e80: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00010e90: 726f 6d61 6373 5f6d 6474 7970 6573 202d romacs_mdtypes -\n+00010ea0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3939 ->.<g id=\"edge99\n+00010eb0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+00010ec0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00010ed0: 635f 6772 6f6d 6163 735f 696d 6426 2334 c_gromacs_imd\n+00010ee0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00010ef0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n+00010f00: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n+00010f10: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n+00010f20: 653d 2223 6266 6266 6266 2220 643d 224d e=\"#bfbfbf\" d=\"M\n+00010f30: 3136 3331 2e35 382c 2d31 3638 2e36 4331 1631.58,-168.6C1\n+00010f40: 3632 392e 3034 2c2d 3138 332e 3636 2031 629.04,-183.66 1\n+00010f50: 3632 342e 3134 2c2d 3230 392e 3733 2031 624.14,-209.73 1\n+00010f60: 3631 372e 3536 2c2d 3233 312e 3438 2031 617.56,-231.48 1\n+00010f70: 3539 392e 3839 2c2d 3238 392e 3836 2031 599.89,-289.86 1\n+00010f80: 3539 322e 3432 2c2d 3330 342e 3033 2031 592.42,-304.03 1\n+00010f90: 3536 322e 3536 2c2d 3335 372e 3232 2031 562.56,-357.22 1\n+00010fa0: 3435 382e 3931 2c2d 3534 312e 3836 2031 458.91,-541.86 1\n+00010fb0: 3432 312e 3439 2c2d 3538 342e 3932 2031 421.49,-584.92 1\n+00010fc0: 3237 312e 3536 2c2d 3733 342e 3434 2031 271.56,-734.44 1\n+00010fd0: 3230 372e 3737 2c2d 3739 382e 3036 2031 207.77,-798.06 1\n+00010fe0: 3139 342e 3035 2c2d 3832 312e 3736 2031 194.05,-821.76 1\n+00010ff0: 3131 322e 3536 2c2d 3836 302e 3138 2031 112.56,-860.18 1\n+00011000: 3035 342e 3737 2c2d 3838 372e 3433 2039 054.77,-887.43 9\n+00011010: 3831 2e33 392c 2d38 3939 2e35 3320 3933 81.39,-899.53 93\n+00011020: 342e 3434 2c2d 3930 342e 3738 222f 3e0a 4.44,-904.78\"/>.\n+00011030: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+00011040: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n+00011050: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n+00011060: 2239 3333 2e38 332c 2d39 3031 2e33 3320 \"933.83,-901.33 \n+00011070: 3932 342e 3236 2c2d 3930 352e 3836 2039 924.26,-905.86 9\n+00011080: 3334 2e35 372c 2d39 3038 2e32 3920 3933 34.57,-908.29 93\n+00011090: 332e 3833 2c2d 3930 312e 3333 222f 3e0a 3.83,-901.33\"/>.\n+000110a0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+000110b0: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64 _src_gromacs_imd\n+000110c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000110d0: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+000110e0: 6563 202d 2d3e 0a3c 6720 6964 3d22 6564 ec -->.<g id=\"ed\n+000110f0: 6765 3934 2220 636c 6173 733d 2265 6467 ge94\" class=\"edg\n+00011100: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00011110: 655f 7372 635f 6772 6f6d 6163 735f 696d e_src_gromacs_im\n+00011120: 6426 2334 353b 2667 743b 6d6f 6475 6c65 d->module\n+00011130: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n+00011140: 6465 633c 2f74 6974 6c65 3e0a 3c70 6174 dec</title>.<pat\n+00011150: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n+00011160: 726f 6b65 3d22 2332 3832 6663 6322 2073 roke=\"#282fcc\" s\n+00011170: 7472 6f6b 652d 6461 7368 6172 7261 793d troke-dasharray=\n+00011180: 2235 2c32 2220 643d 224d 3136 3039 2e34 \"5,2\" d=\"M1609.4\n+00011190: 322c 2d31 3631 2e35 4331 3531 342e 3338 2,-161.5C1514.38\n+000111a0: 2c2d 3138 312e 3132 2031 3136 362e 3334 ,-181.12 1166.34\n+000111b0: 2c2d 3234 392e 3532 2031 3034 352e 3239 ,-249.52 1045.29\n+000111c0: 2c2d 3237 322e 3339 222f 3e0a 3c70 6f6c ,-272.39\"/>.<pol\n+000111d0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n+000111e0: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n+000111f0: 6663 6322 2070 6f69 6e74 733d 2231 3034 fcc\" points=\"104\n+00011200: 342e 3438 2c2d 3236 382e 3939 2031 3033 4.48,-268.99 103\n+00011210: 352e 332c 2d32 3734 2e32 3820 3130 3435 5.3,-274.28 1045\n+00011220: 2e37 372c 2d32 3735 2e38 3720 3130 3434 .77,-275.87 1044\n+00011230: 2e34 382c 2d32 3638 2e39 3922 2f3e 0a3c .48,-268.99\"/>.<\n+00011240: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+00011250: 7372 635f 6772 6f6d 6163 735f 696d 6426 src_gromacs_imd&\n+00011260: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00011270: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+00011280: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+00011290: 3937 2220 636c 6173 733d 2265 6467 6522 97\" class=\"edge\"\n+000112a0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+000112b0: 7372 635f 6772 6f6d 6163 735f 696d 6426 src_gromacs_imd&\n+000112c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000112d0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+000112e0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n+000112f0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n+00011300: 653d 2223 6266 6266 6266 2220 643d 224d e=\"#bfbfbf\" d=\"M\n+00011310: 3136 3037 2e34 382c 2d31 3538 2e39 3943 1607.48,-158.99C\n+00011320: 3135 3038 2e36 332c 2d31 3639 2e30 3120 1508.63,-169.01 \n+00011330: 3131 3537 2e37 2c2d 3230 322e 3932 2031 1157.7,-202.92 1\n+00011340: 3034 312e 3239 2c2d 3231 332e 3732 222f 041.29,-213.72\"/\n+00011350: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+00011360: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n+00011370: 3d22 2362 6662 6662 6622 2070 6f69 6e74 =\"#bfbfbf\" point\n+00011380: 733d 2231 3034 302e 3733 2c2d 3231 302e s=\"1040.73,-210.\n+00011390: 3235 2031 3033 312e 3039 2c2d 3231 342e 25 1031.09,-214.\n+000113a0: 3636 2031 3034 312e 3337 2c2d 3231 372e 66 1041.37,-217.\n+000113b0: 3232 2031 3034 302e 3733 2c2d 3231 302e 22 1040.73,-210.\n+000113c0: 3235 222f 3e0a 3c2f 673e 0a3c 212d 2d20 25\"/>.</g>.<!-- \n+000113d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000113e0: 6373 5f69 6d64 2623 3435 3b26 6774 3b6d cs_imd->m\n+000113f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00011400: 735f 676d 786c 6962 202d 2d3e 0a3c 6720 s_gmxlib -->.<g \n+00011410: 6964 3d22 6564 6765 3936 2220 636c 6173 id=\"edge96\" clas\n+00011420: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00011430: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00011440: 6163 735f 696d 6426 2334 353b 2667 743b acs_imd->\n+00011450: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00011460: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65 cs_gmxlib</title\n+00011470: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00011480: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00011490: 6662 6622 2064 3d22 4d31 3632 392e 3736 fbf\" d=\"M1629.76\n+000114a0: 2c2d 3136 382e 3439 4331 3631 392e 3534 ,-168.49C1619.54\n+000114b0: 2c2d 3230 302e 3735 2031 3538 392e 3537 ,-200.75 1589.57\n+000114c0: 2c2d 3238 392e 3932 2031 3535 302e 3536 ,-289.92 1550.56\n+000114d0: 2c2d 3335 372e 3232 2031 3533 332e 322c ,-357.22 1533.2,\n+000114e0: 2d33 3837 2e31 3720 3135 3332 2e31 342c -387.17 1532.14,\n+000114f0: 2d33 3939 2e31 3720 3135 3034 2e35 362c -399.17 1504.56,\n+00011500: 2d34 3230 2e30 3920 3134 3638 2e32 362c -420.09 1468.26,\n+00011510: 2d34 3437 2e36 3320 3134 3433 2e31 2c2d -447.63 1443.1,-\n+00011520: 3432 362e 3336 2031 3430 382e 3536 2c2d 426.36 1408.56,-\n+00011530: 3435 362e 3039 2031 3330 312e 3235 2c2d 456.09 1301.25,-\n+00011540: 3534 382e 3437 2031 3336 322e 3235 2c2d 548.47 1362.25,-\n+00011550: 3634 332e 3639 2031 3235 332e 3536 2c2d 643.69 1253.56,-\n+00011560: 3733 342e 3434 2031 3232 342e 3337 2c2d 734.44 1224.37,-\n+00011570: 3735 382e 3831 2031 3138 322e 3239 2c2d 758.81 1182.29,-\n+00011580: 3737 312e 3134 2031 3135 312e 3532 2c2d 771.14 1151.52,-\n+00011590: 3737 372e 3233 222f 3e0a 3c70 6f6c 7967 777.23\"/>.<polyg\n+000115a0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n+000115b0: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+000115c0: 6622 2070 6f69 6e74 733d 2231 3135 302e f\" points=\"1150.\n+000115d0: 3735 2c2d 3737 332e 3832 2031 3134 312e 75,-773.82 1141.\n+000115e0: 3535 2c2d 3737 392e 3037 2031 3135 322e 55,-779.07 1152.\n+000115f0: 3032 2c2d 3738 302e 3720 3131 3530 2e37 02,-780.7 1150.7\n+00011600: 352c 2d37 3733 2e38 3222 2f3e 0a3c 2f67 5,-773.82\"/>.</g\n+00011610: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00011620: 635f 6772 6f6d 6163 735f 696d 6426 2334 c_gromacs_imd\n+00011630: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00011640: 5f67 726f 6d61 6373 5f66 696c 6569 6f20 _gromacs_fileio \n+00011650: 2d2d 3e0a 3c67 2069 643d 2265 6467 6539 -->.<g id=\"edge9\n+00011660: 3522 2063 6c61 7373 3d22 6564 6765 223e 5\" class=\"edge\">\n+00011670: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00011680: 7263 5f67 726f 6d61 6373 5f69 6d64 2623 rc_gromacs_imd&#\n+00011690: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000116a0: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n+000116b0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n+000116c0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n+000116d0: 653d 2223 6266 6266 6266 2220 643d 224d e=\"#bfbfbf\" d=\"M\n+000116e0: 3136 3630 2e33 372c 2d31 3537 2e31 3543 1660.37,-157.15C\n+000116f0: 3137 3136 2e38 352c 2d31 3539 2e38 3720 1716.85,-159.87 \n+00011700: 3138 3531 2e37 322c 2d31 3639 2e37 3620 1851.72,-169.76 \n+00011710: 3139 3538 2e35 362c 2d32 3034 2e36 3120 1958.56,-204.61 \n+00011720: 3230 3135 2e38 2c2d 3232 332e 3238 2032 2015.8,-223.28 2\n+00011730: 3034 372e 3339 2c2d 3231 352e 3937 2032 047.39,-215.97 2\n+00011740: 3037 382e 3536 2c2d 3236 372e 3438 2032 078.56,-267.48 2\n+00011750: 3131 372e 3832 2c2d 3333 322e 3336 2032 117.82,-332.36 2\n+00011760: 3132 302e 3634 2c2d 3534 392e 3235 2032 120.64,-549.25 2\n+00011770: 3037 332e 3536 2c2d 3630 382e 3720 3230 073.56,-608.7 20\n+00011780: 3534 2e34 332c 2d36 3332 2e38 3520 3139 54.43,-632.85 19\n+00011790: 3637 2e39 362c 2d36 3436 2e39 3320 3139 67.96,-646.93 19\n+000117a0: 3137 2e38 332c 2d36 3533 2e32 222f 3e0a 17.83,-653.2\"/>.\n+000117b0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+000117c0: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n+000117d0: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n+000117e0: 2231 3931 372e 3233 2c2d 3634 392e 3735 \"1917.23,-649.75\n+000117f0: 2031 3930 372e 3732 2c2d 3635 342e 3432 1907.72,-654.42\n+00011800: 2031 3931 382e 3037 2c2d 3635 362e 3720 1918.07,-656.7 \n+00011810: 3139 3137 2e32 332c 2d36 3439 2e37 3522 1917.23,-649.75\"\n+00011820: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00011830: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00011840: 696d 6426 2334 353b 2667 743b 6d6f 6475 imd->modu\n+00011850: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00011860: 6472 756e 7574 696c 6974 7920 2d2d 3e0a drunutility -->.\n+00011870: 3c67 2069 643d 2265 6467 6539 3822 2063 <g id=\"edge98\" c\n+00011880: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00011890: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+000118a0: 726f 6d61 6373 5f69 6d64 2623 3435 3b26 romacs_imd-&\n+000118b0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000118c0: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n+000118d0: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty</title>.<path\n+000118e0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n+000118f0: 6f6b 653d 2223 3238 3266 6363 2220 7374 oke=\"#282fcc\" st\n+00011900: 726f 6b65 2d64 6173 6861 7272 6179 3d22 roke-dasharray=\"\n+00011910: 352c 3222 2064 3d22 4d31 3635 372e 3531 5,2\" d=\"M1657.51\n+00011920: 2c2d 3136 312e 3735 4331 3730 312e 3238 ,-161.75C1701.28\n+00011930: 2c2d 3137 332e 3239 2031 3739 332e 3738 ,-173.29 1793.78\n+00011940: 2c2d 3230 342e 3136 2031 3833 382e 3536 ,-204.16 1838.56\n+00011950: 2c2d 3236 372e 3438 2031 3837 312e 3233 ,-267.48 1871.23\n+00011960: 2c2d 3331 332e 3638 2031 3835 342e 312c ,-313.68 1854.1,\n+00011970: 2d33 3336 2e38 3120 3138 3538 2e35 362c -336.81 1858.56,\n+00011980: 2d33 3933 2e32 3220 3138 3632 2c2d 3433 -393.22 1862,-43\n+00011990: 362e 3735 2031 3835 332e 3035 2c2d 3435 6.75 1853.05,-45\n+000119a0: 362e 3138 2031 3831 382e 3536 2c2d 3438 6.18 1818.56,-48\n+000119b0: 322e 3936 2031 3739 302e 3535 2c2d 3530 2.96 1790.55,-50\n+000119c0: 342e 3731 2031 3735 322e 3339 2c2d 3531 4.71 1752.39,-51\n+000119d0: 362e 3839 2031 3732 312e 3833 2c2d 3532 6.89 1721.83,-52\n+000119e0: 332e 3539 222f 3e0a 3c70 6f6c 7967 6f6e 3.59\"/>.<polygon\n+000119f0: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n+00011a00: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n+00011a10: 2070 6f69 6e74 733d 2231 3732 302e 3837 points=\"1720.87\n+00011a20: 2c2d 3532 302e 3232 2031 3731 312e 3738 ,-520.22 1711.78\n+00011a30: 2c2d 3532 352e 3636 2031 3732 322e 3239 ,-525.66 1722.29\n+00011a40: 2c2d 3532 372e 3037 2031 3732 302e 3837 ,-527.07 1720.87\n+00011a50: 2c2d 3532 302e 3232 222f 3e0a 3c2f 673e ,-520.22\"/>.</g>\n+00011a60: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00011a70: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n+00011a80: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00011a90: 635f 6772 6f6d 6163 735f 6e62 6e78 6d20 c_gromacs_nbnxm \n+00011aa0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+00011ab0: 3039 2220 636c 6173 733d 2265 6467 6522 09\" class=\"edge\"\n+00011ac0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00011ad0: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+00011ae0: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n+00011af0: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e _src_gromacs_nbn\n+00011b00: 786d 3c2f 7469 746c 653e 0a3c 7061 7468 xm</title>.<path\n+00011b10: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n+00011b20: 6f6b 653d 2223 3238 3266 6363 2220 7374 oke=\"#282fcc\" st\n+00011b30: 726f 6b65 2d64 6173 6861 7272 6179 3d22 roke-dasharray=\"\n+00011b40: 352c 3222 2064 3d22 4d39 3832 2e30 322c 5,2\" d=\"M982.02,\n+00011b50: 2d34 3736 2e35 3843 3935 302e 3834 2c2d -476.58C950.84,-\n+00011b60: 3438 342e 3231 2038 3937 2e39 372c 2d34 484.21 897.97,-4\n+00011b70: 3938 2e38 3320 3835 352e 3536 2c2d 3531 98.83 855.56,-51\n+00011b80: 382e 3936 2036 3936 2e39 332c 2d35 3934 8.96 696.93,-594\n+00011b90: 2e32 3620 3536 312e 3536 2c2d 3630 372e .26 561.56,-607.\n+00011ba0: 3239 2035 3631 2e35 362c 2d37 3832 2e38 29 561.56,-782.8\n+00011bb0: 3820 3536 312e 3536 2c2d 3834 372e 3735 8 561.56,-847.75\n+00011bc0: 2035 3631 2e35 362c 2d38 3437 2e37 3520 561.56,-847.75 \n+00011bd0: 3536 312e 3536 2c2d 3834 372e 3735 2035 561.56,-847.75 5\n+00011be0: 3631 2e35 362c 2d38 3833 2e35 3720 3535 61.56,-883.57 55\n+00011bf0: 332e 3239 2c2d 3932 342e 3520 3534 372e 3.29,-924.5 547.\n+00011c00: 3338 2c2d 3934 392e 3134 222f 3e0a 3c70 38,-949.14\"/>.<p\n+00011c10: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n+00011c20: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n+00011c30: 3832 6663 6322 2070 6f69 6e74 733d 2235 82fcc\" points=\"5\n+00011c40: 3433 2e39 362c 2d39 3438 2e34 2035 3434 43.96,-948.4 544\n+00011c50: 2e39 352c 2d39 3538 2e39 3520 3535 302e .95,-958.95 550.\n+00011c60: 3736 2c2d 3935 302e 3038 2035 3433 2e39 76,-950.08 543.9\n+00011c70: 362c 2d39 3438 2e34 222f 3e0a 3c2f 673e 6,-948.4\"/>.</g>\n+00011c80: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00011c90: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n+00011ca0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00011cb0: 635f 6772 6f6d 6163 735f 7265 7374 7261 c_gromacs_restra\n+00011cc0: 696e 7420 2d2d 3e0a 3c67 2069 643d 2265 int -->.<g id=\"e\n+00011cd0: 6467 6531 3232 2220 636c 6173 733d 2265 dge122\" class=\"e\n+00011ce0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00011cf0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00011d00: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n+00011d10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00011d20: 5f72 6573 7472 6169 6e74 3c2f 7469 746c _restraint</titl\n+00011d30: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00011d40: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+00011d50: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+00011d60: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+00011d70: 4d39 3935 2e31 372c 2d34 3537 2e33 3643 M995.17,-457.36C\n+00011d80: 3938 342e 362c 2d34 3438 2e35 3520 3936 984.6,-448.55 96\n+00011d90: 392e 3634 2c2d 3433 362e 3038 2039 3537 9.64,-436.08 957\n+00011da0: 2e33 352c 2d34 3235 2e38 3322 2f3e 0a3c .35,-425.83\"/>.<\n+00011db0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00011dc0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00011dd0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00011de0: 3935 392e 3238 2c2d 3432 322e 3838 2039 959.28,-422.88 9\n+00011df0: 3439 2e33 362c 2d34 3139 2e31 3620 3935 49.36,-419.16 95\n+00011e00: 342e 382c 2d34 3238 2e32 3520 3935 392e 4.8,-428.25 959.\n+00011e10: 3238 2c2d 3432 322e 3838 222f 3e0a 3c2f 28,-422.88\"/>.</\n+00011e20: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00011e30: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+00011e40: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00011e50: 7372 635f 6772 6f6d 6163 735f 6861 7264 src_gromacs_hard\n+00011e60: 7761 7265 202d 2d3e 0a3c 6720 6964 3d22 ware -->.<g id=\"\n+00011e70: 6564 6765 3131 3322 2063 6c61 7373 3d22 edge113\" class=\"\n+00011e80: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00011e90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00011ea0: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n+00011eb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00011ec0: 735f 6861 7264 7761 7265 3c2f 7469 746c s_hardware</titl\n+00011ed0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00011ee0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00011ef0: 6266 6266 2220 643d 224d 3937 372e 392c bfbf\" d=\"M977.9,\n+00011f00: 2d34 3636 2e39 3343 3930 342e 3037 2c2d -466.93C904.07,-\n+00011f10: 3436 322e 3637 2037 3138 2e35 332c 2d34 462.67 718.53,-4\n+00011f20: 3439 2e32 3920 3636 342e 3536 2c2d 3432 49.29 664.56,-42\n+00011f30: 302e 3039 2035 3338 2e37 322c 2d33 3532 0.09 538.72,-352\n+00011f40: 2035 3133 2e37 342c 2d33 3032 2e36 3120 513.74,-302.61 \n+00011f50: 3436 332e 3536 2c2d 3136 382e 3631 2034 463.56,-168.61 4\n+00011f60: 3537 2e31 362c 2d31 3531 2e35 3320 3435 57.16,-151.53 45\n+00011f70: 332e 3332 2c2d 3133 312e 3220 3435 312e 3.32,-131.2 451.\n+00011f80: 3133 2c2d 3131 352e 3937 222f 3e0a 3c70 13,-115.97\"/>.<p\n+00011f90: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+00011fa0: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+00011fb0: 6662 6662 6622 2070 6f69 6e74 733d 2234 fbfbf\" points=\"4\n+00011fc0: 3534 2e35 382c 2d31 3135 2e33 3720 3434 54.58,-115.37 44\n+00011fd0: 392e 3831 2c2d 3130 352e 3931 2034 3437 9.81,-105.91 447\n+00011fe0: 2e36 342c 2d31 3136 2e32 3820 3435 342e .64,-116.28 454.\n+00011ff0: 3538 2c2d 3131 352e 3337 222f 3e0a 3c2f 58,-115.37\"/>.</\n+00012000: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00012010: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+00012020: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00012030: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n+00012040: 616e 646c 696e 6520 2d2d 3e0a 3c67 2069 andline -->.<g i\n+00012050: 643d 2265 6467 6531 3030 2220 636c 6173 d=\"edge100\" clas\n+00012060: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00012070: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00012080: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n+00012090: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000120a0: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n+000120b0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n+000120c0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n+000120d0: 653d 2223 3238 3266 6363 2220 643d 224d e=\"#282fcc\" d=\"M\n+000120e0: 3130 3339 2e30 362c 2d34 3732 2e34 3143 1039.06,-472.41C\n+000120f0: 3130 3930 2e31 2c2d 3437 362e 3334 2031 1090.1,-476.34 1\n+00012100: 3139 352e 3338 2c2d 3438 372e 3831 2031 195.38,-487.81 1\n+00012110: 3237 382e 3536 2c2d 3531 382e 3936 2031 278.56,-518.96 1\n+00012120: 3335 312e 3331 2c2d 3534 362e 3231 2031 351.31,-546.21 1\n+00012130: 3335 372e 3837 2c2d 3537 362e 3438 2031 357.87,-576.48 1\n+00012140: 3432 382e 3536 2c2d 3630 382e 3720 3134 428.56,-608.7 14\n+00012150: 3735 2e33 372c 2d36 3330 2e30 3420 3134 75.37,-630.04 14\n+00012160: 3934 2c2d 3631 382e 3939 2031 3533 382e 94,-618.99 1538.\n+00012170: 3536 2c2d 3634 342e 3720 3135 3534 2e30 56,-644.7 1554.0\n+00012180: 362c 2d36 3533 2e36 3520 3135 3534 2e38 6,-653.65 1554.8\n+00012190: 332c 2d36 3630 2e30 3820 3135 3638 2e35 3,-660.08 1568.5\n+000121a0: 362c 2d36 3731 2e35 3720 3135 3830 2e39 6,-671.57 1580.9\n+000121b0: 352c 2d36 3831 2e39 3420 3135 3935 2e31 5,-681.94 1595.1\n+000121c0: 332c 2d36 3933 2e30 3720 3136 3036 2e38 3,-693.07 1606.8\n+000121d0: 2c2d 3730 322e 3034 222f 3e0a 3c70 6f6c ,-702.04\"/>.<pol\n+000121e0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n+000121f0: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n+00012200: 6663 6322 2070 6f69 6e74 733d 2231 3630 fcc\" points=\"160\n+00012210: 342e 3732 2c2d 3730 342e 3836 2031 3631 4.72,-704.86 161\n+00012220: 342e 3739 2c2d 3730 382e 3135 2031 3630 4.79,-708.15 160\n+00012230: 382e 3937 2c2d 3639 392e 3239 2031 3630 8.97,-699.29 160\n+00012240: 342e 3732 2c2d 3730 342e 3836 222f 3e0a 4.72,-704.86\"/>.\n+00012250: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00012260: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+00012270: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n+00012280: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00012290: 7479 7065 7320 2d2d 3e0a 3c67 2069 643d types -->.<g id=\n+000122a0: 2265 6467 6531 3038 2220 636c 6173 733d \"edge108\" class=\n+000122b0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+000122c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000122d0: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n+000122e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000122f0: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n+00012300: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00012310: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n+00012320: 2220 643d 224d 3938 352e 3736 2c2d 3437 \" d=\"M985.76,-47\n+00012330: 382e 3736 4339 3335 2e31 362c 2d34 3938 8.76C935.16,-498\n+00012340: 2e34 3120 3831 332e 3938 2c2d 3535 332e .41 813.98,-553.\n+00012350: 3331 2037 3633 2e35 362c 2d36 3434 2e37 31 763.56,-644.7\n+00012360: 2037 3136 2e38 322c 2d37 3239 2e34 3220 716.82,-729.42 \n+00012370: 3732 342e 3031 2c2d 3739 332e 3937 2037 724.01,-793.97 7\n+00012380: 3934 2e35 362c 2d38 3630 2e31 3820 3831 94.56,-860.18 81\n+00012390: 312e 3036 2c2d 3837 352e 3637 2038 3333 1.06,-875.67 833\n+000123a0: 2e34 372c 2d38 3837 2e35 3420 3835 322e .47,-887.54 852.\n+000123b0: 3136 2c2d 3839 352e 3635 222f 3e0a 3c70 16,-895.65\"/>.<p\n+000123c0: 6f6c 7967 6f6e 2066 696c 6c3d 2272 6564 olygon fill=\"red\n+000123d0: 2220 7374 726f 6b65 3d22 7265 6422 2070 \" stroke=\"red\" p\n+000123e0: 6f69 6e74 733d 2238 3530 2e39 362c 2d38 oints=\"850.96,-8\n+000123f0: 3938 2e39 3420 3836 312e 3534 2c2d 3839 98.94 861.54,-89\n+00012400: 392e 3535 2038 3533 2e36 352c 2d38 3932 9.55 853.65,-892\n+00012410: 2e34 3820 3835 302e 3936 2c2d 3839 382e .48 850.96,-898.\n+00012420: 3934 222f 3e0a 3c2f 673e 0a3c 212d 2d20 94\"/>.</g>.<!-- \n+00012430: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00012440: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n+00012450: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00012460: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+00012470: 6573 202d 2d3e 0a3c 6720 6964 3d22 6564 es -->.<g id=\"ed\n+00012480: 6765 3132 3322 2063 6c61 7373 3d22 6564 ge123\" class=\"ed\n+00012490: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+000124a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+000124b0: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n+000124c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000124d0: 6170 706c 6965 645f 666f 7263 6573 3c2f applied_forces</\n+000124e0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+000124f0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00012500: 2272 6564 2220 643d 224d 3938 342e 3838 \"red\" d=\"M984.88\n+00012510: 2c2d 3436 302e 3639 4339 3534 2e38 312c ,-460.69C954.81,\n+00012520: 2d34 3530 2e37 3420 3930 322e 3431 2c2d -450.74 902.41,-\n+00012530: 3433 332e 3431 2038 3635 2e37 332c 2d34 433.41 865.73,-4\n+00012540: 3231 2e32 3822 2f3e 0a3c 706f 6c79 676f 21.28\"/>.<polygo\n+00012550: 6e20 6669 6c6c 3d22 7265 6422 2073 7472 n fill=\"red\" str\n+00012560: 6f6b 653d 2272 6564 2220 706f 696e 7473 oke=\"red\" points\n+00012570: 3d22 3836 362e 3433 2c2d 3431 372e 3832 =\"866.43,-417.82\n+00012580: 2038 3535 2e38 332c 2d34 3138 2038 3634 855.83,-418 864\n+00012590: 2e32 332c 2d34 3234 2e34 3620 3836 362e .23,-424.46 866.\n+000125a0: 3433 2c2d 3431 372e 3832 222f 3e0a 3c2f 43,-417.82\"/>.</\n+000125b0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+000125c0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+000125d0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000125e0: 7372 635f 6772 6f6d 6163 735f 7461 736b src_gromacs_task\n+000125f0: 6173 7369 676e 6d65 6e74 202d 2d3e 0a3c assignment -->.<\n+00012600: 6720 6964 3d22 6564 6765 3131 3122 2063 g id=\"edge111\" c\n+00012610: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00012620: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00012630: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00012640: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00012650: 6772 6f6d 6163 735f 7461 736b 6173 7369 gromacs_taskassi\n+00012660: 676e 6d65 6e74 3c2f 7469 746c 653e 0a3c gnment</title>.<\n+00012670: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00012680: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n+00012690: 224d 3937 382e 342c 2d34 3635 2e36 3143 \"M978.4,-465.61C\n+000126a0: 3932 302e 3036 2c2d 3435 392e 3531 2037 920.06,-459.51 7\n+000126b0: 3934 2e33 332c 2d34 3433 2e39 3420 3735 94.33,-443.94 75\n+000126c0: 382e 3536 2c2d 3432 302e 3039 2037 3339 8.56,-420.09 739\n+000126d0: 2e31 332c 2d34 3037 2e31 3420 3732 352e .13,-407.14 725.\n+000126e0: 342c 2d33 3833 2e38 2037 3137 2e33 2c2d 4,-383.8 717.3,-\n+000126f0: 3336 362e 3533 222f 3e0a 3c70 6f6c 7967 366.53\"/>.<polyg\n+00012700: 6f6e 2066 696c 6c3d 2272 6564 2220 7374 on fill=\"red\" st\n+00012710: 726f 6b65 3d22 7265 6422 2070 6f69 6e74 roke=\"red\" point\n+00012720: 733d 2237 3230 2e34 322c 2d33 3634 2e39 s=\"720.42,-364.9\n+00012730: 3220 3731 332e 3138 2c2d 3335 372e 3138 2 713.18,-357.18\n+00012740: 2037 3134 2e30 312c 2d33 3637 2e37 3420 714.01,-367.74 \n+00012750: 3732 302e 3432 2c2d 3336 342e 3932 222f 720.42,-364.92\"/\n+00012760: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00012770: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00012780: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n+00012790: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000127a0: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n+000127b0: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n+000127c0: 6531 3136 2220 636c 6173 733d 2265 6467 e116\" class=\"edg\n+000127d0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+000127e0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+000127f0: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n+00012800: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+00012810: 7373 656e 7469 616c 6479 6e61 6d69 6373 ssentialdynamics\n+00012820: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n+00012830: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n+00012840: 653d 2223 3238 3266 6363 2220 7374 726f e=\"#282fcc\" stro\n+00012850: 6b65 2d64 6173 6861 7272 6179 3d22 352c ke-dasharray=\"5,\n+00012860: 3222 2064 3d22 4d31 3030 372e 3338 2c2d 2\" d=\"M1007.38,-\n+00012870: 3435 362e 3143 3130 3035 2e37 382c 2d34 456.1C1005.78,-4\n+00012880: 3431 2e30 3320 3130 3032 2e34 2c2d 3431 41.03 1002.4,-41\n+00012890: 342e 3936 2039 3936 2e35 362c 2d33 3933 4.96 996.56,-393\n+000128a0: 2e32 3220 3937 342e 3534 2c2d 3331 312e .22 974.54,-311.\n+000128b0: 3235 2039 3139 2e35 342c 2d32 3735 2e32 25 919.54,-275.2\n+000128c0: 3720 3936 362e 3536 2c2d 3230 342e 3631 7 966.56,-204.61\n+000128d0: 2039 3736 2e33 372c 2d31 3839 2e38 3720 976.37,-189.87 \n+000128e0: 3939 322e 3239 2c2d 3137 392e 3037 2031 992.29,-179.07 1\n+000128f0: 3030 372e 3636 2c2d 3137 312e 3435 222f 007.66,-171.45\"/\n+00012900: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+00012910: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+00012920: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n+00012930: 733d 2231 3030 392e 3437 2c2d 3137 342e s=\"1009.47,-174.\n+00012940: 3437 2031 3031 372e 3039 2c2d 3136 372e 47 1017.09,-167.\n+00012950: 3132 2031 3030 362e 3534 2c2d 3136 382e 12 1006.54,-168.\n+00012960: 3131 2031 3030 392e 3437 2c2d 3137 342e 11 1009.47,-174.\n+00012970: 3437 222f 3e0a 3c2f 673e 0a3c 212d 2d20 47\"/>.</g>.<!-- \n+00012980: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00012990: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n+000129a0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000129b0: 6163 735f 6f70 7469 6f6e 7320 2d2d 3e0a acs_options -->.\n+000129c0: 3c67 2069 643d 2265 6467 6531 3234 2220 <g id=\"edge124\" \n+000129d0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+000129e0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+000129f0: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n+00012a00: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00012a10: 5f67 726f 6d61 6373 5f6f 7074 696f 6e73 _gromacs_options\n+00012a20: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n+00012a30: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n+00012a40: 653d 2223 3238 3266 6363 2220 7374 726f e=\"#282fcc\" stro\n+00012a50: 6b65 2d64 6173 6861 7272 6179 3d22 352c ke-dasharray=\"5,\n+00012a60: 3222 2064 3d22 4d31 3032 322e 3936 2c2d 2\" d=\"M1022.96,-\n+00012a70: 3435 372e 3137 4331 3033 332e 3537 2c2d 457.17C1033.57,-\n+00012a80: 3434 382e 3133 2031 3034 372e 3634 2c2d 448.13 1047.64,-\n+00012a90: 3433 342e 3632 2031 3035 362e 3536 2c2d 434.62 1056.56,-\n+00012aa0: 3432 302e 3039 2031 3036 362e 3633 2c2d 420.09 1066.63,-\n+00012ab0: 3430 332e 3639 2031 3037 332e 3136 2c2d 403.69 1073.16,-\n+00012ac0: 3338 322e 3735 2031 3037 372e 3031 2c2d 382.75 1077.01,-\n+00012ad0: 3336 372e 3132 222f 3e0a 3c70 6f6c 7967 367.12\"/>.<polyg\n+00012ae0: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+00012af0: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+00012b00: 6322 2070 6f69 6e74 733d 2231 3038 302e c\" points=\"1080.\n+00012b10: 3434 2c2d 3336 372e 3739 2031 3037 392e 44,-367.79 1079.\n+00012b20: 3236 2c2d 3335 372e 3237 2031 3037 332e 26,-357.27 1073.\n+00012b30: 3632 2c2d 3336 362e 3234 2031 3038 302e 62,-366.24 1080.\n+00012b40: 3434 2c2d 3336 372e 3739 222f 3e0a 3c2f 44,-367.79\"/>.</\n+00012b50: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00012b60: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+00012b70: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00012b80: 7372 635f 6772 6f6d 6163 735f 696d 6420 src_gromacs_imd \n+00012b90: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+00012ba0: 3134 2220 636c 6173 733d 2265 6467 6522 14\" class=\"edge\"\n+00012bb0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00012bc0: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+00012bd0: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n+00012be0: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64 _src_gromacs_imd\n+00012bf0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n+00012c00: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n+00012c10: 653d 2223 3238 3266 6363 2220 7374 726f e=\"#282fcc\" stro\n+00012c20: 6b65 2d64 6173 6861 7272 6179 3d22 352c ke-dasharray=\"5,\n+00012c30: 3222 2064 3d22 4d31 3033 322c 2d34 3630 2\" d=\"M1032,-460\n+00012c40: 2e34 3343 3130 3535 2e31 312c 2d34 3531 .43C1055.11,-451\n+00012c50: 2e39 3720 3130 3931 2e30 322c 2d34 3337 .97 1091.02,-437\n+00012c60: 2e35 2031 3131 392e 3536 2c2d 3432 302e .5 1119.56,-420.\n+00012c70: 3039 2031 3137 332e 3432 2c2d 3338 372e 09 1173.42,-387.\n+00012c80: 3233 2031 3137 352e 3633 2c2d 3336 332e 23 1175.63,-363.\n+00012c90: 3120 3132 3239 2e35 362c 2d33 3330 2e33 1 1229.56,-330.3\n+00012ca0: 3520 3133 3539 2e36 312c 2d32 3531 2e33 5 1359.61,-251.3\n+00012cb0: 3820 3135 3331 2e38 392c 2d31 3839 2e38 8 1531.89,-189.8\n+00012cc0: 3520 3136 3031 2e39 332c 2d31 3636 2e34 5 1601.93,-166.4\n+00012cd0: 3322 2f3e 0a3c 706f 6c79 676f 6e20 6669 3\"/>.<polygon fi\n+00012ce0: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n+00012cf0: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n+00012d00: 696e 7473 3d22 3136 3033 2e31 322c 2d31 ints=\"1603.12,-1\n+00012d10: 3639 2e37 3220 3136 3131 2e35 312c 2d31 69.72 1611.51,-1\n+00012d20: 3633 2e32 3520 3136 3030 2e39 312c 2d31 63.25 1600.91,-1\n+00012d30: 3633 2e30 3820 3136 3033 2e31 322c 2d31 63.08 1603.12,-1\n+00012d40: 3639 2e37 3222 2f3e 0a3c 2f67 3e0a 3c21 69.72\"/>.</g>.<!\n+00012d50: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+00012d60: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n+00012d70: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00012d80: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+00012d90: 7263 6573 202d 2d3e 0a3c 6720 6964 3d22 rces -->.<g id=\"\n+00012da0: 6564 6765 3130 3522 2063 6c61 7373 3d22 edge105\" class=\"\n+00012db0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00012dc0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00012dd0: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n+00012de0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00012df0: 735f 6c69 7374 6564 5f66 6f72 6365 733c s_listed_forces<\n+00012e00: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00012e10: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00012e20: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00012e30: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+00012e40: 2220 643d 224d 3937 372e 3532 2c2d 3436 \" d=\"M977.52,-46\n+00012e50: 372e 3534 4339 3234 2e35 342c 2d34 3634 7.54C924.54,-464\n+00012e60: 2e39 3220 3831 342e 312c 2d34 3535 2e33 .92 814.1,-455.3\n+00012e70: 2037 3238 2e35 362c 2d34 3230 2e30 3920 728.56,-420.09 \n+00012e80: 3638 332e 3434 2c2d 3430 312e 3532 2036 683.44,-401.52 6\n+00012e90: 3631 2e34 362c 2d34 3030 2e33 3120 3633 61.46,-400.31 63\n+00012ea0: 382e 3536 2c2d 3335 372e 3232 2036 3036 8.56,-357.22 606\n+00012eb0: 2e37 332c 2d32 3937 2e33 3220 3631 342e .73,-297.32 614.\n+00012ec0: 3833 2c2d 3236 382e 3837 2036 3336 2e35 83,-268.87 636.5\n+00012ed0: 362c 2d32 3034 2e36 3120 3634 302e 3132 6,-204.61 640.12\n+00012ee0: 2c2d 3139 342e 3039 2036 3436 2e39 382c ,-194.09 646.98,\n+00012ef0: 2d31 3834 2e30 3520 3635 332e 3834 2c2d -184.05 653.84,-\n+00012f00: 3137 352e 3836 222f 3e0a 3c70 6f6c 7967 175.86\"/>.<polyg\n+00012f10: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+00012f20: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+00012f30: 6322 2070 6f69 6e74 733d 2236 3536 2e35 c\" points=\"656.5\n+00012f40: 312c 2d31 3738 2e31 3420 3636 302e 3538 1,-178.14 660.58\n+00012f50: 2c2d 3136 382e 3335 2036 3531 2e33 2c2d ,-168.35 651.3,-\n+00012f60: 3137 332e 3436 2036 3536 2e35 312c 2d31 173.46 656.51,-1\n+00012f70: 3738 2e31 3422 2f3e 0a3c 2f67 3e0a 3c21 78.14\"/>.</g>.<!\n+00012f80: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+00012f90: 6f6d 6163 735f 6d69 6d69 6320 2d2d 3e0a omacs_mimic -->.\n+00012fa0: 3c67 2069 643d 226e 6f64 6532 3222 2063 <g id=\"node22\" c\n+00012fb0: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469 lass=\"node\">.<ti\n+00012fc0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00012fd0: 726f 6d61 6373 5f6d 696d 6963 3c2f 7469 romacs_mimic</ti\n+00012fe0: 746c 653e 0a3c 656c 6c69 7073 6520 6669 tle>.<ellipse fi\n+00012ff0: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+00013000: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n+00013010: 3131 3330 2e35 3622 2063 793d 222d 3238 1130.56\" cy=\"-28\n+00013020: 302e 3932 2220 7278 3d22 3330 2e33 3122 0.92\" rx=\"30.31\"\n+00013030: 2072 793d 2231 332e 3337 222f 3e0a 3c74 ry=\"13.37\"/>.<t\n+00013040: 6578 7420 7465 7874 2d61 6e63 686f 723d ext text-anchor=\n+00013050: 226d 6964 646c 6522 2078 3d22 3131 3330 \"middle\" x=\"1130\n+00013060: 2e35 3622 2079 3d22 2d32 3738 2e34 3222 .56\" y=\"-278.42\"\n+00013070: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672 font-family=\"Fr\n+00013080: 6565 5361 6e73 2220 666f 6e74 2d73 697a eeSans\" font-siz\n+00013090: 653d 2231 302e 3030 223e 6d69 6d69 633c e=\"10.00\">mimic<\n+000130a0: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d /text>.</g>.<!--\n+000130b0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+000130c0: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n+000130d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000130e0: 6d61 6373 5f6d 696d 6963 202d 2d3e 0a3c macs_mimic -->.<\n+000130f0: 6720 6964 3d22 6564 6765 3131 3822 2063 g id=\"edge118\" c\n+00013100: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00013110: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00013120: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00013130: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00013140: 6772 6f6d 6163 735f 6d69 6d69 633c 2f74 gromacs_mimic</t\n+00013150: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00013160: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00013170: 2362 6662 6662 6622 2064 3d22 4d31 3033 #bfbfbf\" d=\"M103\n+00013180: 332e 3735 2c2d 3436 312e 3631 4331 3035 3.75,-461.61C105\n+00013190: 352e 3539 2c2d 3435 342e 3436 2031 3038 5.59,-454.46 108\n+000131a0: 362e 3733 2c2d 3434 312e 3320 3131 3036 6.73,-441.3 1106\n+000131b0: 2e35 362c 2d34 3230 2e30 3920 3131 3335 .56,-420.09 1135\n+000131c0: 2e38 392c 2d33 3838 2e37 3320 3131 3336 .89,-388.73 1136\n+000131d0: 2e32 2c2d 3333 352e 3031 2031 3133 332e .2,-335.01 1133.\n+000131e0: 3535 2c2d 3330 342e 3632 222f 3e0a 3c70 55,-304.62\"/>.<p\n+000131f0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+00013200: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+00013210: 6662 6662 6622 2070 6f69 6e74 733d 2231 fbfbf\" points=\"1\n+00013220: 3133 372e 3032 2c2d 3330 342e 3134 2031 137.02,-304.14 1\n+00013230: 3133 322e 3439 2c2d 3239 342e 3536 2031 132.49,-294.56 1\n+00013240: 3133 302e 3036 2c2d 3330 342e 3837 2031 130.06,-304.87 1\n+00013250: 3133 372e 3032 2c2d 3330 342e 3134 222f 137.02,-304.14\"/\n+00013260: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00013270: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00013280: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n+00013290: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000132a0: 6577 616c 6420 2d2d 3e0a 3c67 2069 643d ewald -->.<g id=\n+000132b0: 2265 6467 6531 3032 2220 636c 6173 733d \"edge102\" class=\n+000132c0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+000132d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000132e0: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n+000132f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00013300: 6373 5f65 7761 6c64 3c2f 7469 746c 653e cs_ewald</title>\n+00013310: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .<path fill=\"non\n+00013320: 6522 2073 7472 6f6b 653d 2272 6564 2220 e\" stroke=\"red\" \n+00013330: 643d 224d 3130 3030 2e37 332c 2d34 3832 d=\"M1000.73,-482\n+00013340: 2e37 3343 3937 392e 3339 2c2d 3531 362e .73C979.39,-516.\n+00013350: 3731 2039 3230 2e32 382c 2d36 3135 2e39 71 920.28,-615.9\n+00013360: 3220 3839 362e 3536 2c2d 3730 372e 3537 2 896.56,-707.57\n+00013370: 2038 3836 2e32 392c 2d37 3437 2e32 3520 886.29,-747.25 \n+00013380: 3838 352e 3731 2c2d 3739 352e 3337 2038 885.71,-795.37 8\n+00013390: 3836 2e34 372c 2d38 3233 2e30 3822 2f3e 86.47,-823.08\"/>\n+000133a0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+000133b0: 7265 6422 2073 7472 6f6b 653d 2272 6564 red\" stroke=\"red\n+000133c0: 2220 706f 696e 7473 3d22 3838 322e 3938 \" points=\"882.98\n+000133d0: 2c2d 3832 332e 3433 2038 3836 2e38 332c ,-823.43 886.83,\n+000133e0: 2d38 3333 2e33 2038 3839 2e39 372c 2d38 -833.3 889.97,-8\n+000133f0: 3233 2e31 3820 3838 322e 3938 2c2d 3832 23.18 882.98,-82\n+00013400: 332e 3433 222f 3e0a 3c2f 673e 0a3c 212d 3.43\"/>.</g>.<!-\n+00013410: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00013420: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n+00013430: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00013440: 6f6d 6163 735f 636f 6d70 6174 202d 2d3e omacs_compat -->\n+00013450: 0a3c 6720 6964 3d22 6564 6765 3131 3222 .<g id=\"edge112\"\n+00013460: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00013470: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00013480: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n+00013490: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000134a0: 635f 6772 6f6d 6163 735f 636f 6d70 6174 c_gromacs_compat\n+000134b0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n+000134c0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n+000134d0: 653d 2223 3238 3266 6363 2220 7374 726f e=\"#282fcc\" stro\n+000134e0: 6b65 2d64 6173 6861 7272 6179 3d22 352c ke-dasharray=\"5,\n+000134f0: 3222 2064 3d22 4d31 3030 342e 3534 2c2d 2\" d=\"M1004.54,-\n+00013500: 3435 362e 3132 4339 3939 2e35 362c 2d34 456.12C999.56,-4\n+00013510: 3431 2e30 3720 3939 302e 3634 2c2d 3431 41.07 990.64,-41\n+00013520: 352e 3032 2039 3831 2e35 362c 2d33 3933 5.02 981.56,-393\n+00013530: 2e32 3220 3934 372e 3839 2c2d 3331 322e .22 947.89,-312.\n+00013540: 3335 2039 3031 2e31 2c2d 3231 392e 3333 35 901.1,-219.33\n+00013550: 2038 3739 2e38 362c 2d31 3737 2e39 3622 879.86,-177.96\"\n+00013560: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+00013570: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00013580: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n+00013590: 7473 3d22 3838 322e 3834 2c2d 3137 362e ts=\"882.84,-176.\n+000135a0: 3120 3837 352e 3134 2c2d 3136 382e 3832 1 875.14,-168.82\n+000135b0: 2038 3736 2e36 312c 2d31 3739 2e33 3120 876.61,-179.31 \n+000135c0: 3838 322e 3834 2c2d 3137 362e 3122 2f3e 882.84,-176.1\"/>\n+000135d0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+000135e0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+000135f0: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n+00013600: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00013610: 7075 5f75 7469 6c73 202d 2d3e 0a3c 6720 pu_utils -->.<g \n+00013620: 6964 3d22 6564 6765 3131 3722 2063 6c61 id=\"edge117\" cla\n+00013630: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+00013640: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+00013650: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n+00013660: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00013670: 6f6d 6163 735f 6770 755f 7574 696c 733c omacs_gpu_utils<\n+00013680: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00013690: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+000136a0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+000136b0: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+000136c0: 2220 643d 224d 3937 372e 3532 2c2d 3437 \" d=\"M977.52,-47\n+000136d0: 302e 3538 4339 3135 2e38 2c2d 3437 312e 0.58C915.8,-471.\n+000136e0: 3620 3737 342e 3035 2c2d 3437 382e 3538 6 774.05,-478.58\n+000136f0: 2036 3633 2e35 362c 2d35 3138 2e39 3620 663.56,-518.96 \n+00013700: 3631 342e 3235 2c2d 3533 362e 3938 2036 614.25,-536.98 6\n+00013710: 3031 2e32 362c 2d35 3435 2e33 2035 3633 01.26,-545.3 563\n+00013720: 2e35 362c 2d35 3831 2e38 3320 3431 392e .56,-581.83 419.\n+00013730: 3635 2c2d 3732 312e 3239 2033 3732 2e35 65,-721.29 372.5\n+00013740: 382c 2d37 3636 2e36 3420 3331 362e 3536 8,-766.64 316.56\n+00013750: 2c2d 3935 392e 3035 2033 3133 2e32 322c ,-959.05 313.22,\n+00013760: 2d39 3730 2e35 3220 3331 322e 3139 2c2d -970.52 312.19,-\n+00013770: 3937 342e 3831 2033 3136 2e35 362c 2d39 974.81 316.56,-9\n+00013780: 3835 2e39 3220 3332 312e 3036 2c2d 3939 85.92 321.06,-99\n+00013790: 372e 3337 2033 3239 2e36 382c 2d31 3030 7.37 329.68,-100\n+000137a0: 372e 3733 2033 3338 2e31 382c 2d31 3031 7.73 338.18,-101\n+000137b0: 352e 3839 222f 3e0a 3c70 6f6c 7967 6f6e 5.89\"/>.<polygon\n+000137c0: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n+000137d0: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n+000137e0: 2070 6f69 6e74 733d 2233 3336 2e30 352c points=\"336.05,\n+000137f0: 2d31 3031 382e 3638 2033 3435 2e38 332c -1018.68 345.83,\n+00013800: 2d31 3032 322e 3735 2033 3430 2e37 322c -1022.75 340.72,\n+00013810: 2d31 3031 332e 3437 2033 3336 2e30 352c -1013.47 336.05,\n+00013820: 2d31 3031 382e 3638 222f 3e0a 3c2f 673e -1018.68\"/>.</g>\n+00013830: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00013840: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n+00013850: 7369 6d75 6c61 746f 7220 2d2d 3e0a 3c67 simulator -->.<g\n+00013860: 2069 643d 226e 6f64 6532 3922 2063 6c61 id=\"node29\" cla\n+00013870: 7373 3d22 6e6f 6465 223e 0a3c 7469 746c ss=\"node\">.<titl\n+00013880: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+00013890: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n+000138a0: 6c61 746f 723c 2f74 6974 6c65 3e0a 3c67 lator</title>.<g\n+000138b0: 2069 643d 2261 5f6e 6f64 6532 3922 3e3c id=\"a_node29\"><\n+000138c0: 6120 786c 696e 6b3a 6872 6566 3d22 6772 a xlink:href=\"gr\n+000138d0: 6f75 705f 5f6d 6f64 756c 655f 5f6d 6f64 oup__module__mod\n+000138e0: 756c 6172 7369 6d75 6c61 746f 722e 7868 ularsimulator.xh\n+000138f0: 746d 6c22 2074 6172 6765 743d 225f 746f tml\" target=\"_to\n+00013900: 7022 2078 6c69 6e6b 3a74 6974 6c65 3d22 p\" xlink:title=\"\n+00013910: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n+00013920: 223e 0a3c 656c 6c69 7073 6520 6669 6c6c \">.<ellipse fill\n+00013930: 3d22 2365 3563 6366 6622 2073 7472 6f6b =\"#e5ccff\" strok\n+00013940: 653d 2262 6c61 636b 2220 6378 3d22 3132 e=\"black\" cx=\"12\n+00013950: 3935 2e35 3622 2063 793d 222d 3430 362e 95.56\" cy=\"-406.\n+00013960: 3636 2220 7278 3d22 3635 2e31 3122 2072 66\" rx=\"65.11\" r\n+00013970: 793d 2231 332e 3337 222f 3e0a 3c74 6578 y=\"13.37\"/>.<tex\n+00013980: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n+00013990: 6964 646c 6522 2078 3d22 3132 3935 2e35 iddle\" x=\"1295.5\n+000139a0: 3622 2079 3d22 2d34 3034 2e31 3622 2066 6\" y=\"-404.16\" f\n+000139b0: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565 ont-family=\"Free\n+000139c0: 5361 6e73 2220 666f 6e74 2d73 697a 653d Sans\" font-size=\n+000139d0: 2231 302e 3030 223e 6d6f 6475 6c61 7273 \"10.00\">modulars\n+000139e0: 696d 756c 6174 6f72 3c2f 7465 7874 3e0a imulator</text>.\n+000139f0: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c </a>.</g>.</g>.<\n+00013a00: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00013a10: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n 00013a20: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00013a30: 6772 6f6d 6163 735f 6577 616c 6420 2d2d gromacs_ewald --\n-00013a40: 3e0a 3c67 2069 643d 2265 6467 6531 3039 >.<g id=\"edge109\n-00013a50: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-00013a60: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00013a70: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n-00013a80: 7072 6f63 6573 7326 2334 353b 2667 743b process->\n-00013a90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00013aa0: 6373 5f65 7761 6c64 3c2f 7469 746c 653e cs_ewald</title>\n-00013ab0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .<path fill=\"non\n-00013ac0: 6522 2073 7472 6f6b 653d 2223 3238 3266 e\" stroke=\"#282f\n-00013ad0: 6363 2220 7374 726f 6b65 2d64 6173 6861 cc\" stroke-dasha\n-00013ae0: 7272 6179 3d22 352c 3222 2064 3d22 4d31 rray=\"5,2\" d=\"M1\n-00013af0: 3437 302e 3539 2c2d 3132 3735 2e33 3143 470.59,-1275.31C\n-00013b00: 3134 3331 2e30 372c 2d31 3236 302e 3032 1431.07,-1260.02\n-00013b10: 2031 3336 342e 3237 2c2d 3132 3237 2e35 1364.27,-1227.5\n-00013b20: 3820 3133 3334 2e35 362c 2d31 3137 342e 8 1334.56,-1174.\n-00013b30: 3533 2031 3330 302e 342c 2d31 3131 332e 53 1300.4,-1113.\n-00013b40: 3534 2031 3332 332e 3839 2c2d 3933 302e 54 1323.89,-930.\n-00013b50: 3037 2031 3332 322e 3536 2c2d 3836 302e 07 1322.56,-860.\n-00013b60: 3138 2031 3332 322e 3333 2c2d 3834 382e 18 1322.33,-848.\n-00013b70: 3234 2031 3331 362e 3035 2c2d 3834 332e 24 1316.05,-843.\n-00013b80: 3332 2031 3332 322e 3536 2c2d 3833 332e 32 1322.56,-833.\n-00013b90: 3331 2031 3334 342e 3033 2c2d 3830 302e 31 1344.03,-800.\n-00013ba0: 3238 2031 3337 332e 3731 2c2d 3832 332e 28 1373.71,-823.\n-00013bb0: 3033 2031 3430 332e 3536 2c2d 3739 372e 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3738 2e32 3620 3132 3937 2e31 382c 2d34 78.26 1297.18,-4\n-00013cb0: 3835 2e30 3920 3132 3939 2e36 372c 2d34 85.09 1299.67,-4\n-00013cc0: 3738 2e35 3522 2f3e 0a3c 2f67 3e0a 3c21 78.55\"/>.</g>.<!\n-00013cd0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-00013ce0: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n-00013cf0: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n-00013d00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f69 le_src_gromacs_i\n-00013d10: 6d64 202d 2d3e 0a3c 6720 6964 3d22 6564 md -->.<g id=\"ed\n-00013d20: 6765 3131 3122 2063 6c61 7373 3d22 6564 ge111\" class=\"ed\n-00013d30: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-00013d40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-00013d50: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n-00013d60: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00013d70: 6772 6f6d 6163 735f 696d 643c 2f74 6974 gromacs_imd</tit\n-00013d80: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00013d90: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-00013da0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n-00013db0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-00013dc0: 224d 3134 3433 2e31 372c 2d31 3238 352e \"M1443.17,-1285.\n-00013dd0: 3333 4331 3231 382e 3532 2c2d 3132 3832 33C1218.52,-1282\n-00013de0: 2e36 3320 3432 322e 3536 2c2d 3132 3635 .63 422.56,-1265\n-00013df0: 2e37 3420 3432 322e 3536 2c2d 3131 3632 .74 422.56,-1162\n-00013e00: 2e31 2034 3232 2e35 362c 2d31 3136 322e .1 422.56,-1162.\n-00013e10: 3120 3432 322e 3536 2c2d 3131 3632 2e31 1 422.56,-1162.1\n-00013e20: 2034 3232 2e35 362c 2d37 3832 2e38 3820 422.56,-782.88 \n-00013e30: 3432 322e 3536 2c2d 3631 392e 3336 2036 422.56,-619.36 6\n-00013e40: 3731 2e39 392c 2d35 3536 2e38 3820 3736 71.99,-556.88 76\n-00013e50: 352e 3631 2c2d 3533 392e 3138 222f 3e0a 5.61,-539.18\"/>.\n-00013e60: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon 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5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n-00013f60: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n-00013f70: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00013f80: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib</title>.<pat\n-00013f90: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n-00013fa0: 726f 6b65 3d22 2362 6662 6662 6622 2064 roke=\"#bfbfbf\" d\n-00013fb0: 3d22 4d31 3533 302e 3034 2c2d 3132 3735 =\"M1530.04,-1275\n-00013fc0: 2e30 3343 3135 3436 2e32 342c 2d31 3236 .03C1546.24,-126\n-00013fd0: 372e 3233 2031 3536 352e 3134 2c2d 3132 7.23 1565.14,-12\n-00013fe0: 3534 2e39 3620 3135 3734 2e35 362c 2d31 54.96 1574.56,-1\n-00013ff0: 3233 372e 3420 3135 3830 2e32 312c 2d31 237.4 1580.21,-1\n-00014000: 3232 362e 3838 2031 3537 352e 3335 2c2d 226.88 1575.35,-\n-00014010: 3132 3232 2e34 3520 3135 3734 2e35 362c 1222.45 1574.56,\n-00014020: 2d31 3231 302e 3533 2031 3536 372e 3131 -1210.53 1567.11\n-00014030: 2c2d 3130 3937 2e36 2031 3538 332e 312c 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src_gromacs_gmxp\n-00014120: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n-00014130: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00014140: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n-00014150: 6365 735f 6177 6820 2d2d 3e0a 3c67 2069 ces_awh -->.<g i\n-00014160: 643d 2265 6467 6531 3034 2220 636c 6173 d=\"edge104\" clas\n-00014170: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-00014180: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-00014190: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n-000141a0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-000141b0: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n-000141c0: 6c69 6564 5f66 6f72 6365 735f 6177 683c lied_forces_awh<\n-000141d0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-000141e0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-000141f0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-00014200: 652d 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222f 371.68,-868.33\"/\n-000142f0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-00014300: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-00014310: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n-00014320: 733d 2231 3337 342e 3532 2c2d 3836 362e s=\"1374.52,-866.\n-00014330: 3238 2031 3336 362e 3235 2c2d 3835 392e 28 1366.25,-859.\n-00014340: 3636 2031 3336 382e 3539 2c2d 3836 392e 66 1368.59,-869.\n-00014350: 3939 2031 3337 342e 3532 2c2d 3836 362e 99 1374.52,-866.\n-00014360: 3238 222f 3e0a 3c2f 673e 0a3c 212d 2d20 28\"/>.</g>.<!-- \n-00014370: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00014380: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n-00014390: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000143a0: 7372 635f 7465 7374 7574 696c 7320 2d2d src_testutils --\n-000143b0: 3e0a 3c67 2069 643d 2265 6467 6531 3133 >.<g id=\"edge113\n-000143c0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-000143d0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-000143e0: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n-000143f0: 7072 6f63 6573 7326 2334 353b 2667 743b process->\n-00014400: 6d6f 6475 6c65 5f73 7263 5f74 6573 7475 module_src_testu\n-00014410: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061 tils</title>.<pa\n-00014420: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n-00014430: 7472 6f6b 653d 2272 6564 2220 643d 224d troke=\"red\" d=\"M\n-00014440: 3135 3539 2e37 322c 2d31 3238 342e 3839 1559.72,-1284.89\n-00014450: 4331 3737 382e 3232 2c2d 3132 3831 2e31 C1778.22,-1281.1\n-00014460: 3120 3235 3339 2e37 342c 2d31 3236 352e 1 2539.74,-1265.\n-00014470: 3934 2032 3538 322e 3536 2c2d 3132 3337 94 2582.56,-1237\n-00014480: 2e34 2032 3632 322e 3032 2c2d 3132 3131 .4 2622.02,-1211\n-00014490: 2e31 2032 3633 382e 3038 2c2d 3131 3534 .1 2638.08,-1154\n-000144a0: 2e30 3720 3236 3434 2e31 362c 2d31 3132 .07 2644.16,-112\n-000144b0: 322e 3131 222f 3e0a 3c70 6f6c 7967 6f6e 2.11\"/>.<polygon\n-000144c0: 2066 696c 6c3d 2272 6564 2220 7374 726f fill=\"red\" stro\n-000144d0: 6b65 3d22 7265 6422 2070 6f69 6e74 733d ke=\"red\" points=\n-000144e0: 2232 3634 372e 3637 2c2d 3131 3232 2e34 \"2647.67,-1122.4\n-000144f0: 2032 3634 352e 3932 2c2d 3131 3131 2e39 2645.92,-1111.9\n-00014500: 3520 3236 3430 2e37 372c 2d31 3132 312e 5 2640.77,-1121.\n-00014510: 3220 3236 3437 2e36 372c 2d31 3132 322e 2 2647.67,-1122.\n-00014520: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 4\"/>.</g>.<!-- m\n-00014530: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00014540: 735f 7377 6170 2623 3435 3b26 6774 3b6d s_swap->m\n-00014550: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00014560: 735f 6669 6c65 696f 202d 2d3e 0a3c 6720 s_fileio -->.<g \n-00014570: 6964 3d22 6564 6765 3131 3522 2063 6c61 id=\"edge115\" cla\n-00014580: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-00014590: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-000145a0: 6d61 6373 5f73 7761 7026 2334 353b 2667 macs_swap-&g\n-000145b0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-000145c0: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974 macs_fileio</tit\n-000145d0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-000145e0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n-000145f0: 6662 6662 6622 2064 3d22 4d36 3633 2e39 fbfbf\" d=\"M663.9\n-00014600: 2c2d 3534 352e 3738 4336 3439 2e39 312c ,-545.78C649.91,\n-00014610: 2d35 3935 2e34 3320 3630 332e 3235 2c2d -595.43 603.25,-\n-00014620: 3738 342e 3037 2036 3537 2e35 362c 2d39 784.07 657.56,-9\n-00014630: 3233 2e30 3520 3637 312e 342c 2d39 3538 23.05 671.4,-958\n-00014640: 2e34 3620 3638 312e 3731 2c2d 3936 382e .46 681.71,-968.\n-00014650: 3632 2037 3135 2e35 362c 2d39 3835 2e39 62 715.56,-985.9\n-00014660: 3220 3737 392e 3236 2c2d 3130 3138 2e34 2 779.26,-1018.4\n-00014670: 3820 3939 352e 3037 2c2d 3130 3239 2e38 8 995.07,-1029.8\n-00014680: 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2265 6467 e114\" class=\"edg\n-00014770: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-00014780: 655f 7372 635f 6772 6f6d 6163 735f 7377 e_src_gromacs_sw\n-00014790: 6170 2623 3435 3b26 6774 3b6d 6f64 756c ap->modul\n-000147a0: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n-000147b0: 6d64 6563 3c2f 7469 746c 653e 0a3c 7061 mdec</title>.<pa\n-000147c0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n-000147d0: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n-000147e0: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n-000147f0: 3d22 352c 3222 2064 3d22 4d36 3838 2e38 =\"5,2\" d=\"M688.8\n-00014800: 332c 2d35 3431 2e32 3343 3734 352e 352c 3,-541.23C745.5,\n-00014810: 2d35 3632 2e31 2039 3030 2e35 322c 2d36 -562.1 900.52,-6\n-00014820: 3139 2e31 3920 3936 392e 3538 2c2d 3634 19.19 969.58,-64\n-00014830: 342e 3632 222f 3e0a 3c70 6f6c 7967 6f6e 4.62\"/>.<polygon\n-00014840: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" 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5f73 7263 5f67 >module_src_g\n-00014940: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74 romacs_gmxlib</t\n-00014950: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00014960: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00014970: 2362 6662 6662 6622 2064 3d22 4d36 3635 #bfbfbf\" d=\"M665\n-00014980: 2e36 392c 2d35 3138 2e37 3843 3636 322e .69,-518.78C662.\n-00014990: 3536 2c2d 3439 362e 3434 2036 3536 2e35 56,-496.44 656.5\n-000149a0: 362c 2d34 3438 2e34 3220 3635 362e 3536 6,-448.42 656.56\n-000149b0: 2c2d 3430 372e 3636 2036 3536 2e35 362c ,-407.66 656.56,\n-000149c0: 2d34 3037 2e36 3620 3635 362e 3536 2c2d -407.66 656.56,-\n-000149d0: 3430 372e 3636 2036 3536 2e35 362c 2d32 407.66 656.56,-2\n-000149e0: 3137 2e30 3520 3635 362e 3536 2c2d 3138 17.05 656.56,-18\n-000149f0: 312e 3736 2036 3533 2e32 382c 2d31 3430 1.76 653.28,-140\n-00014a00: 2e39 3420 3635 302e 3932 2c2d 3131 362e .94 650.92,-116.\n-00014a10: 3133 222f 3e0a 3c70 6f6c 7967 6f6e 2066 13\"/>.<polygon 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5f73 7761 7026 2334 353b romacs_swap-\n-00014b10: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00014b20: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f romacs_mdtypes</\n-00014b30: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00014b40: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00014b50: 2223 6266 6266 6266 2220 643d 224d 3638 \"#bfbfbf\" d=\"M68\n-00014b60: 342e 3132 2c2d 3534 332e 3334 4337 3039 4.12,-543.34C709\n-00014b70: 2e30 362c 2d35 3538 2e31 3720 3735 372e .06,-558.17 757.\n-00014b80: 3836 2c2d 3538 362e 3731 2038 3030 2e35 86,-586.71 800.5\n-00014b90: 362c 2d36 3038 2e37 2038 3539 2e34 2c2d 6,-608.7 859.4,-\n-00014ba0: 3633 3920 3837 332e 3238 2c2d 3634 392e 639 873.28,-649.\n-00014bb0: 3137 2039 3335 2e35 362c 2d36 3731 2e35 17 935.56,-671.5\n-00014bc0: 3720 3938 332e 3738 2c2d 3638 382e 3931 7 983.78,-688.91\n-00014bd0: 2031 3034 312e 3038 2c2d 3730 322e 3838 1041.08,-702.88\n-00014be0: 2031 3037 392e 3231 2c2d 3731 312e 3238 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3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00014ce0: 635f 6772 6f6d 6163 735f 7377 6170 2623 c_gromacs_swap&#\n-00014cf0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00014d00: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n-00014d10: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility</title>.<\n-00014d20: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00014d30: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00014d40: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-00014d50: 6179 3d22 352c 3222 2064 3d22 4d36 3739 ay=\"5,2\" d=\"M679\n-00014d60: 2e36 322c 2d35 3434 2e39 3643 3730 372e .62,-544.96C707.\n-00014d70: 3435 2c2d 3537 312e 3938 2037 3737 2e35 45,-571.98 777.5\n-00014d80: 382c 2d36 3431 2e38 3920 3832 372e 3536 8,-641.89 827.56\n-00014d90: 2c2d 3730 372e 3537 2038 3430 2e37 382c ,-707.57 840.78,\n-00014da0: 2d37 3234 2e39 3420 3835 332e 3735 2c2d -724.94 853.75,-\n-00014db0: 3734 362e 3133 2038 3632 2e37 312c 2d37 746.13 862.71,-7\n-00014dc0: 3631 2e36 3122 2f3e 0a3c 706f 6c79 676f 61.61\"/>.<polygo\n-00014dd0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n-00014de0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00014df0: 2220 706f 696e 7473 3d22 3835 392e 3734 \" points=\"859.74\n-00014e00: 2c2d 3736 332e 3437 2038 3637 2e37 332c ,-763.47 867.73,\n-00014e10: 2d37 3730 2e34 3220 3836 352e 3832 2c2d -770.42 865.82,-\n-00014e20: 3736 3020 3835 392e 3734 2c2d 3736 332e 760 859.74,-763.\n-00014e30: 3437 222f 3e0a 3c2f 673e 0a3c 212d 2d20 47\"/>.</g>.<!-- \n-00014e40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00014e50: 6373 5f73 7761 7026 2334 353b 2667 743b cs_swap->\n-00014e60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00014e70: 6373 5f6d 646c 6962 202d 2d3e 0a3c 6720 cs_mdlib -->.<g \n-00014e80: 6964 3d22 6564 6765 3131 3722 2063 6c61 id=\"edge117\" cla\n-00014e90: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-00014ea0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00014eb0: 6d61 6373 5f73 7761 7026 2334 353b 2667 macs_swap-&g\n-00014ec0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00014ed0: 6d61 6373 5f6d 646c 6962 3c2f 7469 746c macs_mdlib</titl\n-00014ee0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00014ef0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-00014f00: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-00014f10: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-00014f20: 4d36 3730 2e37 322c 2d35 3435 2e37 3943 M670.72,-545.79C\n-00014f30: 3638 322e 3238 2c2d 3538 382e 3432 2037 682.28,-588.42 7\n-00014f40: 3236 2e34 362c 2d37 3330 2e30 3920 3831 26.46,-730.09 81\n-00014f50: 382e 3536 2c2d 3739 372e 3331 2038 3731 8.56,-797.31 871\n-00014f60: 2e31 312c 2d38 3335 2e36 3720 3133 3235 .11,-835.67 1325\n-00014f70: 2e39 332c 2d38 3839 2e33 3520 3134 3630 .93,-889.35 1460\n-00014f80: 2e33 322c 2d39 3034 2e34 3922 2f3e 0a3c .32,-904.49\"/>.<\n-00014f90: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-00014fa0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-00014fb0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-00014fc0: 3134 3630 2e31 392c 2d39 3038 2031 3437 1460.19,-908 147\n-00014fd0: 302e 3532 2c2d 3930 352e 3634 2031 3436 0.52,-905.64 146\n-00014fe0: 302e 3937 2c2d 3930 312e 3034 2031 3436 0.97,-901.04 146\n-00014ff0: 302e 3139 2c2d 3930 3822 2f3e 0a3c 2f67 0.19,-908\"/>.</g\n-00015000: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00015010: 635f 6772 6f6d 6163 735f 6573 7365 6e74 c_gromacs_essent\n-00015020: 6961 6c64 796e 616d 6963 7326 2334 353b ialdynamics-\n-00015030: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00015040: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n-00015050: 6e65 202d 2d3e 0a3c 6720 6964 3d22 6564 ne -->.<g id=\"ed\n-00015060: 6765 3132 3022 2063 6c61 7373 3d22 6564 ge120\" class=\"ed\n-00015070: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-00015080: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-00015090: 7373 656e 7469 616c 6479 6e61 6d69 6373 ssentialdynamics\n-000150a0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000150b0: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n-000150c0: 616e 646c 696e 653c 2f74 6974 6c65 3e0a andline</title>.\n-000150d0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n-000150e0: 2220 7374 726f 6b65 3d22 626c 6163 6b22 \" stroke=\"black\"\n-000150f0: 2073 7472 6f6b 652d 6461 7368 6172 7261 stroke-dasharra\n-00015100: 793d 2235 2c32 2220 643d 224d 3434 302e y=\"5,2\" d=\"M440.\n-00015110: 312c 2d34 3738 2e32 3343 3339 342e 3536 1,-478.23C394.56\n-00015120: 2c2d 3438 362e 3032 2033 3334 2e32 312c ,-486.02 334.21,\n-00015130: 2d34 3939 2e36 3720 3331 392e 3536 2c2d -499.67 319.56,-\n-00015140: 3531 382e 3936 2032 3737 2e35 382c 2d35 518.96 277.58,-5\n-00015150: 3734 2e32 3220 3331 392e 3239 2c2d 3631 74.22 319.29,-61\n-00015160: 302e 3637 2033 3532 2e35 362c 2d36 3731 0.67 352.56,-671\n-00015170: 2e35 3720 3339 302e 3735 2c2d 3734 312e .57 390.75,-741.\n-00015180: 3438 2036 3830 2e30 362c 2d31 3033 322e 48 680.06,-1032.\n-00015190: 3833 2037 3035 2e35 362c 2d31 3034 382e 83 705.56,-1048.\n-000151a0: 3739 2037 3333 2c2d 3130 3635 2e39 3720 79 733,-1065.97 \n-000151b0: 3736 372e 3336 2c2d 3130 3738 2e31 3420 767.36,-1078.14 \n-000151c0: 3739 342e 3638 2c2d 3130 3835 2e39 3822 794.68,-1085.98\"\n-000151d0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-000151e0: 3d22 626c 6163 6b22 2073 7472 6f6b 653d =\"black\" stroke=\n-000151f0: 2262 6c61 636b 2220 706f 696e 7473 3d22 \"black\" points=\"\n-00015200: 3739 332e 3833 2c2d 3130 3839 2e33 3820 793.83,-1089.38 \n-00015210: 3830 342e 342c 2d31 3038 382e 3638 2037 804.4,-1088.68 7\n-00015220: 3935 2e37 2c2d 3130 3832 2e36 3420 3739 95.7,-1082.64 79\n-00015230: 332e 3833 2c2d 3130 3839 2e33 3822 2f3e 3.83,-1089.38\"/>\n-00015240: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-00015250: 655f 7372 635f 6772 6f6d 6163 735f 6573 e_src_gromacs_es\n-00015260: 7365 6e74 6961 6c64 796e 616d 6963 7326 sentialdynamics&\n-00015270: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00015280: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n-00015290: 6f20 2d2d 3e0a 3c67 2069 643d 2265 6467 o -->.<g id=\"edg\n-000152a0: 6531 3232 2220 636c 6173 733d 2265 6467 e122\" class=\"edg\n-000152b0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-000152c0: 655f 7372 635f 6772 6f6d 6163 735f 6573 e_src_gromacs_es\n-000152d0: 7365 6e74 6961 6c64 796e 616d 6963 7326 sentialdynamics&\n-000152e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000152f0: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n-00015300: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o</title>.<path \n-00015310: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n-00015320: 6b65 3d22 2362 6662 6662 6622 2064 3d22 ke=\"#bfbfbf\" d=\"\n-00015330: 4d34 3837 2e35 352c 2d34 3832 2e39 3343 M487.55,-482.93C\n-00015340: 3438 332e 3236 2c2d 3439 322e 3531 2034 483.26,-492.51 4\n-00015350: 3737 2e38 352c 2d35 3036 2e32 3520 3437 77.85,-506.25 47\n-00015360: 352e 3536 2c2d 3531 382e 3936 2034 3638 5.56,-518.96 468\n-00015370: 2e34 332c 2d35 3538 2e36 3320 3437 352e .43,-558.63 475.\n-00015380: 3534 2c2d 3537 302e 3536 2034 3838 2e35 54,-570.56 488.5\n-00015390: 362c 2d36 3038 2e37 2035 3138 2e36 382c 6,-608.7 518.68,\n-000153a0: 2d36 3936 2e39 3720 3539 362e 3234 2c2d -696.97 596.24,-\n-000153b0: 3933 322e 3320 3637 322e 3536 2c2d 3938 932.3 672.56,-98\n-000153c0: 352e 3932 2037 3338 2e32 382c 2d31 3033 5.92 738.28,-103\n-000153d0: 322e 3039 2039 3837 2e31 382c 2d31 3033 2.09 987.18,-103\n-000153e0: 352e 3333 2031 3038 322e 332c 2d31 3033 5.33 1082.3,-103\n-000153f0: 342e 3833 222f 3e0a 3c70 6f6c 7967 6f6e 4.83\"/>.<polygon\n-00015400: 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756c 655f >.<title>module_\n-000154f0: 7372 635f 6772 6f6d 6163 735f 6573 7365 src_gromacs_esse\n-00015500: 6e74 6961 6c64 796e 616d 6963 7326 2334 ntialdynamics\n-00015510: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00015520: 5f67 726f 6d61 6373 5f64 6f6d 6465 633c _gromacs_domdec<\n-00015530: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00015540: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00015550: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-00015560: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-00015570: 2220 643d 224d 3439 352e 3934 2c2d 3438 \" d=\"M495.94,-48\n-00015580: 332e 3138 4334 3939 2e35 382c 2d34 3939 3.18C499.58,-499\n-00015590: 2e34 3420 3530 372e 3931 2c2d 3532 372e .44 507.91,-527.\n-000155a0: 3732 2035 3234 2e35 362c 2d35 3435 2e38 72 524.56,-545.8\n-000155b0: 3320 3534 382e 3233 2c2d 3537 312e 3539 3 548.23,-571.59\n-000155c0: 2035 3635 2e37 342c 2d35 3632 2035 3934 565.74,-562 594\n-000155d0: 2e35 362c 2d35 3831 2e38 3320 3630 392e .56,-581.83 609.\n-000155e0: 3331 2c2d 3539 312e 3938 2036 3038 2e32 31,-591.98 608.2\n-000155f0: 382c 2d36 3031 2e32 3620 3632 342e 3536 8,-601.26 624.56\n-00015600: 2c2d 3630 382e 3720 3635 342e 3437 2c2d ,-608.7 654.47,-\n-00015610: 3632 322e 3337 2038 3635 2e34 382c 2d36 622.37 865.48,-6\n-00015620: 3433 2e39 3320 3935 392e 3036 2c2d 3635 43.93 959.06,-65\n-00015630: 322e 3935 222f 3e0a 3c70 6f6c 7967 6f6e 2.95\"/>.<polygon\n-00015640: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n-00015650: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n-00015660: 2070 6f69 6e74 733d 2239 3538 2e37 382c points=\"958.78,\n-00015670: 2d36 3536 2e34 3420 3936 392e 3037 2c2d -656.44 969.07,-\n-00015680: 3635 332e 3931 2039 3539 2e34 352c 2d36 653.91 959.45,-6\n-00015690: 3439 2e34 3720 3935 382e 3738 2c2d 3635 49.47 958.78,-65\n-000156a0: 362e 3434 222f 3e0a 3c2f 673e 0a3c 212d 6.44\"/>.</g>.<!-\n-000156b0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-000156c0: 6d61 6373 5f65 7373 656e 7469 616c 6479 macs_essentialdy\n-000156d0: 6e61 6d69 6373 2623 3435 3b26 6774 3b6d namics->m\n-000156e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000156f0: 735f 676d 786c 6962 202d 2d3e 0a3c 6720 s_gmxlib -->.<g \n-00015700: 6964 3d22 6564 6765 3132 3322 2063 6c61 id=\"edge123\" cla\n-00015710: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-00015720: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00015730: 6d61 6373 5f65 7373 656e 7469 616c 6479 macs_essentialdy\n-00015740: 6e61 6d69 6373 2623 3435 3b26 6774 3b6d namics->m\n-00015750: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00015760: 735f 676d 786c 6962 3c2f 7469 746c 653e s_gmxlib</title>\n-00015770: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .<path fill=\"non\n-00015780: 6522 2073 7472 6f6b 653d 2223 6266 6266 e\" stroke=\"#bfbf\n-00015790: 6266 2220 643d 224d 3439 392e 3438 2c2d bf\" d=\"M499.48,-\n-000157a0: 3435 352e 3834 4335 3039 2e32 322c 2d34 455.84C509.22,-4\n-000157b0: 3333 2e37 3720 3532 372e 3536 2c2d 3338 33.77 527.56,-38\n-000157c0: 362e 3637 2035 3237 2e35 362c 2d33 3434 6.67 527.56,-344\n-000157d0: 2e37 3920 3532 372e 3536 2c2d 3334 342e .79 527.56,-344.\n-000157e0: 3739 2035 3237 2e35 362c 2d33 3434 2e37 79 527.56,-344.7\n-000157f0: 3920 3532 372e 3536 2c2d 3231 372e 3035 9 527.56,-217.05\n-00015800: 2035 3237 2e35 362c 2d31 3634 2e39 3220 527.56,-164.92 \n-00015810: 3538 332e 3134 2c2d 3132 362e 3631 2036 583.14,-126.61 6\n-00015820: 3138 2e39 362c 2d31 3037 2e33 3322 2f3e 18.96,-107.33\"/>\n-00015830: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-00015840: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n-00015850: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n-00015860: 3d22 3632 302e 3737 2c2d 3131 302e 3334 =\"620.77,-110.34\n-00015870: 2036 3238 2e30 332c 2d31 3032 2e36 3320 628.03,-102.63 \n-00015880: 3631 372e 3535 2c2d 3130 342e 3132 2036 617.55,-104.12 6\n-00015890: 3230 2e37 372c 2d31 3130 2e33 3422 2f3e 20.77,-110.34\"/>\n-000158a0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-000158b0: 655f 7372 635f 6772 6f6d 6163 735f 6573 e_src_gromacs_es\n-000158c0: 7365 6e74 6961 6c64 796e 616d 6963 7326 sentialdynamics&\n-000158d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000158e0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n-000158f0: 6573 202d 2d3e 0a3c 6720 6964 3d22 6564 es -->.<g id=\"ed\n-00015900: 6765 3132 3622 2063 6c61 7373 3d22 6564 ge126\" class=\"ed\n-00015910: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-00015920: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-00015930: 7373 656e 7469 616c 6479 6e61 6d69 6373 ssentialdynamics\n-00015940: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00015950: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n-00015960: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes</title>.<pat\n-00015970: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n-00015980: 726f 6b65 3d22 2362 6662 6662 6622 2064 roke=\"#bfbfbf\" d\n-00015990: 3d22 4d34 3932 2e32 382c 2d34 3833 4334 =\"M492.28,-483C4\n-000159a0: 3931 2e32 372c 2d34 3938 2e38 3220 3439 91.27,-498.82 49\n-000159b0: 312e 3635 2c2d 3532 362e 3337 2035 3033 1.65,-526.37 503\n-000159c0: 2e35 362c 2d35 3435 2e38 3320 3532 392e .56,-545.83 529.\n-000159d0: 3232 2c2d 3538 372e 3736 2035 3439 2e35 22,-587.76 549.5\n-000159e0: 382c 2d35 3838 2e38 3620 3539 342e 3536 8,-588.86 594.56\n-000159f0: 2c2d 3630 382e 3720 3638 322e 3231 2c2d ,-608.7 682.21,-\n-00015a00: 3634 372e 3337 2039 3637 2e31 342c 2d36 647.37 967.14,-6\n-00015a10: 3935 2e34 3420 3130 3737 2e34 312c 2d37 95.44 1077.41,-7\n-00015a20: 3133 2e30 3922 2f3e 0a3c 706f 6c79 676f 13.09\"/>.<polygo\n-00015a30: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n-00015a40: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00015a50: 2220 706f 696e 7473 3d22 3130 3737 2e31 \" points=\"1077.1\n-00015a60: 2c2d 3731 362e 3539 2031 3038 372e 3533 ,-716.59 1087.53\n-00015a70: 2c2d 3731 342e 3720 3130 3738 2e32 2c2d ,-714.7 1078.2,-\n-00015a80: 3730 392e 3637 2031 3037 372e 312c 2d37 709.67 1077.1,-7\n-00015a90: 3136 2e35 3922 2f3e 0a3c 2f67 3e0a 3c21 16.59\"/>.</g>.<!\n-00015aa0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-00015ab0: 6f6d 6163 735f 6573 7365 6e74 6961 6c64 omacs_essentiald\n-00015ac0: 796e 616d 6963 7326 2334 353b 2667 743b ynamics->\n-00015ad0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00015ae0: 6373 5f6d 6472 756e 7574 696c 6974 7920 cs_mdrunutility \n-00015af0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-00015b00: 3235 2220 636c 6173 733d 2265 6467 6522 25\" class=\"edge\"\n-00015b10: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00015b20: 7372 635f 6772 6f6d 6163 735f 6573 7365 src_gromacs_esse\n-00015b30: 6e74 6961 6c64 796e 616d 6963 7326 2334 ntialdynamics\n-00015b40: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00015b50: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n-00015b60: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility</title>.<p\n-00015b70: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n-00015b80: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n-00015b90: 2073 7472 6f6b 652d 6461 7368 6172 7261 stroke-dasharra\n-00015ba0: 793d 2235 2c32 2220 643d 224d 3439 302e y=\"5,2\" d=\"M490.\n-00015bb0: 3231 2c2d 3438 332e 3134 4334 3836 2e37 21,-483.14C486.7\n-00015bc0: 352c 2d34 3938 2e33 3820 3438 322e 3736 5,-498.38 482.76\n-00015bd0: 2c2d 3532 342e 3634 2034 3839 2e35 362c ,-524.64 489.56,\n-00015be0: 2d35 3435 2e38 3320 3439 302e 3232 2c2d -545.83 490.22,-\n-00015bf0: 3534 372e 3838 2035 3332 2e38 352c 2d36 547.88 532.85,-6\n-00015c00: 3037 2e34 2035 3334 2e35 362c 2d36 3038 07.4 534.56,-608\n-00015c10: 2e37 2036 3337 2e34 312c 2d36 3836 2e36 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2d37 3635 2e39 3922 2f3e 0a3c 2f67 3e0a -765.99\"/>.</g>.\n-00015d10: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-00015d20: 6772 6f6d 6163 735f 6573 7365 6e74 6961 gromacs_essentia\n-00015d30: 6c64 796e 616d 6963 7326 2334 353b 2667 ldynamics-&g\n-00015d40: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00015d50: 6d61 6373 5f6d 646c 6962 202d 2d3e 0a3c macs_mdlib -->.<\n-00015d60: 6720 6964 3d22 6564 6765 3132 3422 2063 g id=\"edge124\" c\n-00015d70: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-00015d80: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00015d90: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n-00015da0: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n-00015db0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00015dc0: 6163 735f 6d64 6c69 623c 2f74 6974 6c65 acs_mdlib</title\n-00015dd0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00015de0: 6e65 2220 7374 726f 6b65 3d22 2362 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3338 2220 636c 6173 733d 2265 dge138\" class=\"e\n-00015fc0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-00015fd0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00015fe0: 646f 6d64 6563 2623 3435 3b26 6774 3b6d domdec->m\n-00015ff0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00016000: 735f 6669 6c65 696f 3c2f 7469 746c 653e s_fileio</title>\n-00016010: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .<path fill=\"non\n-00016020: 6522 2073 7472 6f6b 653d 2223 6266 6266 e\" stroke=\"#bfbf\n-00016030: 6266 2220 643d 224d 3936 382e 3236 2c2d bf\" d=\"M968.26,-\n-00016040: 3636 312e 3331 4339 3031 2e33 322c 2d36 661.31C901.32,-6\n-00016050: 3637 2e35 3620 3736 322e 3536 2c2d 3639 67.56 762.56,-69\n-00016060: 312e 3531 2037 3632 2e35 362c 2d37 3832 1.51 762.56,-782\n-00016070: 2e38 3820 3736 322e 3536 2c2d 3834 372e .88 762.56,-847.\n-00016080: 3735 2037 3632 2e35 362c 2d38 3437 2e37 75 762.56,-847.7\n-00016090: 3520 3736 322e 3536 2c2d 3834 372e 3735 5 762.56,-847.75\n-000160a0: 2037 3632 2e35 362c 2d39 3931 2e30 3420 762.56,-991.04 \n-000160b0: 3939 312e 3234 2c2d 3130 3234 2e35 2031 991.24,-1024.5 1\n-000160c0: 3038 322e 3535 2c2d 3130 3332 2e31 3522 082.55,-1032.15\"\n-000160d0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-000160e0: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n-000160f0: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n-00016100: 7473 3d22 3130 3832 2e34 392c 2d31 3033 ts=\"1082.49,-103\n-00016110: 352e 3635 2031 3039 322e 3733 2c2d 3130 5.65 1092.73,-10\n-00016120: 3332 2e39 3420 3130 3833 2e30 332c 2d31 32.94 1083.03,-1\n-00016130: 3032 382e 3637 2031 3038 322e 3439 2c2d 028.67 1082.49,-\n-00016140: 3130 3335 2e36 3522 2f3e 0a3c 2f67 3e0a 1035.65\"/>.</g>.\n-00016150: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-00016160: 6772 6f6d 6163 735f 646f 6d64 6563 2623 gromacs_domdec&#\n-00016170: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00016180: 635f 6772 6f6d 6163 735f 6861 7264 7761 c_gromacs_hardwa\n-00016190: 7265 202d 2d3e 0a3c 6720 6964 3d22 6564 re -->.<g id=\"ed\n-000161a0: 6765 3133 3522 2063 6c61 7373 3d22 6564 ge135\" class=\"ed\n-000161b0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-000161c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n-000161d0: 6f6d 6465 6326 2334 353b 2667 743b 6d6f omdec->mo\n-000161e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000161f0: 5f68 6172 6477 6172 653c 2f74 6974 6c65 _hardware</title\n-00016200: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00016210: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-00016220: 6662 6622 2064 3d22 4d31 3032 352e 3538 fbf\" d=\"M1025.58\n-00016230: 2c2d 3634 372e 3239 4331 3034 312e 3433 ,-647.29C1041.43\n-00016240: 2c2d 3633 392e 3132 2031 3036 322e 3133 ,-639.12 1062.13\n-00016250: 2c2d 3632 362e 3034 2031 3037 342e 3536 ,-626.04 1074.56\n-00016260: 2c2d 3630 382e 3720 3130 3938 2e36 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1315.98\n-00016350: 2c2d 3335 332e 3837 2031 3331 382e 3339 ,-353.87 1318.39\n-00016360: 2c2d 3336 302e 3434 222f 3e0a 3c2f 673e ,-360.44\"/>.</g>\n-00016370: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-00016380: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n-00016390: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000163a0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-000163b0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-000163c0: 3133 3622 2063 6c61 7373 3d22 6564 6765 136\" class=\"edge\n-000163d0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-000163e0: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n-000163f0: 6465 6326 2334 353b 2667 743b 6d6f 6475 dec->modu\n-00016400: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00016410: 6472 756e 3c2f 7469 746c 653e 0a3c 7061 drun</title>.<pa\n-00016420: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n-00016430: 7472 6f6b 653d 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6475 >.</g>.<!-- modu\n-00016520: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n-00016530: 6f6d 6465 6326 2334 353b 2667 743b 6d6f omdec->mo\n-00016540: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00016550: 5f67 7075 5f75 7469 6c73 202d 2d3e 0a3c _gpu_utils -->.<\n-00016560: 6720 6964 3d22 6564 6765 3133 3422 2063 g id=\"edge134\" c\n-00016570: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-00016580: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00016590: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n-000165a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000165b0: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n-000165c0: 6c73 3c2f 7469 746c 653e 0a3c 7061 7468 ls</title>.<path\n-000165d0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n-000165e0: 6f6b 653d 2223 6266 6266 6266 2220 643d oke=\"#bfbfbf\" d=\n-000165f0: 224d 3130 3131 2e36 372c 2d36 3434 2e39 \"M1011.67,-644.9\n-00016600: 3243 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3320 1366.58,-285.53 \n-000166f0: 3133 3637 2e38 382c 2d32 3932 2e34 3122 1367.88,-292.41\"\n-00016700: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-00016710: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00016720: 646f 6d64 6563 2623 3435 3b26 6774 3b6d domdec->m\n-00016730: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00016740: 735f 676d 786c 6962 202d 2d3e 0a3c 6720 s_gmxlib -->.<g \n-00016750: 6964 3d22 6564 6765 3132 3822 2063 6c61 id=\"edge128\" cla\n-00016760: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-00016770: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00016780: 6d61 6373 5f64 6f6d 6465 6326 2334 353b macs_domdec-\n-00016790: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-000167a0: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74 romacs_gmxlib</t\n-000167b0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-000167c0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-000167d0: 2362 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312e .56,-441.42 581.\n-000168c0: 3536 2c2d 3430 372e 3636 2035 3831 2e35 56,-407.66 581.5\n-000168d0: 362c 2d34 3037 2e36 3620 3538 312e 3536 6,-407.66 581.56\n-000168e0: 2c2d 3430 372e 3636 2035 3831 2e35 362c ,-407.66 581.56,\n-000168f0: 2d32 3137 2e30 3520 3538 312e 3536 2c2d -217.05 581.56,-\n-00016900: 3137 362e 3134 2036 3130 2e32 322c 2d31 176.14 610.22,-1\n-00016910: 3335 2e38 3120 3633 302e 3035 2c2d 3131 35.81 630.05,-11\n-00016920: 322e 3822 2f3e 0a3c 706f 6c79 676f 6e20 2.8\"/>.<polygon \n-00016930: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n-00016940: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n-00016950: 706f 696e 7473 3d22 3633 322e 3834 2c2d points=\"632.84,-\n-00016960: 3131 342e 3933 2036 3336 2e38 392c 2d31 114.93 636.89,-1\n-00016970: 3035 2e31 3420 3632 372e 3632 2c2d 3131 05.14 627.62,-11\n-00016980: 302e 3237 2036 3332 2e38 342c 2d31 3134 0.27 632.84,-114\n-00016990: 2e39 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d 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4331 3034 372e 3137 2c2d 3637 382e 63C1047.17,-678.\n-00016a90: 3036 2031 3037 352e 3838 2c2d 3639 322e 06 1075.88,-692.\n-00016aa0: 3720 3130 3936 2e34 362c 2d37 3033 2e39 7 1096.46,-703.9\n-00016ab0: 3522 2f3e 0a3c 706f 6c79 676f 6e20 6669 5\"/>.<polygon fi\n-00016ac0: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n-00016ad0: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n-00016ae0: 696e 7473 3d22 3130 3934 2e38 342c 2d37 ints=\"1094.84,-7\n-00016af0: 3037 2e30 3520 3131 3035 2e32 382c 2d37 07.05 1105.28,-7\n-00016b00: 3038 2e38 3420 3130 3938 2e32 332c 2d37 08.84 1098.23,-7\n-00016b10: 3030 2e39 3320 3130 3934 2e38 342c 2d37 00.93 1094.84,-7\n-00016b20: 3037 2e30 3522 2f3e 0a3c 2f67 3e0a 3c21 07.05\"/>.</g>.<!\n-00016b30: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-00016b40: 6f6d 6163 735f 646f 6d64 6563 2623 3435 omacs_domdec-\n-00016b50: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00016b60: 6772 6f6d 6163 735f 6e62 6e78 6d20 2d2d gromacs_nbnxm --\n-00016b70: 3e0a 3c67 2069 643d 2265 6467 6531 3333 >.<g id=\"edge133\n-00016b80: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-00016b90: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00016ba0: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n-00016bb0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00016bc0: 7372 635f 6772 6f6d 6163 735f 6e62 6e78 src_gromacs_nbnx\n-00016bd0: 6d3c 2f74 6974 6c65 3e0a 3c70 6174 6820 m</title>.<path \n-00016be0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n-00016bf0: 6b65 3d22 7265 6422 2064 3d22 4d39 3938 ke=\"red\" d=\"M998\n-00016c00: 2e38 352c 2d36 3434 2e36 3643 3939 372e .85,-644.66C997.\n-00016c10: 3335 2c2d 3632 382e 3834 2039 3937 2e34 35,-628.84 997.4\n-00016c20: 2c2d 3630 312e 3239 2039 3835 2e35 362c ,-601.29 985.56,\n-00016c30: 2d35 3831 2e38 3320 3937 302e 3736 2c2d -581.83 970.76,-\n-00016c40: 3535 372e 3520 3934 372e 3233 2c2d 3537 557.5 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3933 372e 3132 2c2d 3233 382e 3632 3 937.12,-238.62\n-00016d40: 2039 3433 2e34 332c 2d32 3431 2e36 3622 943.43,-241.66\"\n-00016d50: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-00016d60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00016d70: 646f 6d64 6563 2623 3435 3b26 6774 3b6d domdec->m\n-00016d80: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00016d90: 735f 6d64 7275 6e75 7469 6c69 7479 202d s_mdrunutility -\n-00016da0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3133 ->.<g id=\"edge13\n-00016db0: 3122 2063 6c61 7373 3d22 6564 6765 223e 1\" class=\"edge\">\n-00016dc0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00016dd0: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-00016de0: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n-00016df0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-00016e00: 756e 7574 696c 6974 793c 2f74 6974 6c65 unutility</title\n-00016e10: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path 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352c 2d37 3730 2e33 3320 3838 362e 3339 5,-770.33 886.39\n-00016f10: 2c2d 3736 322e 3531 2038 3739 2e39 352c ,-762.51 879.95,\n-00016f20: 2d37 3539 2e37 3622 2f3e 0a3c 2f67 3e0a -759.76\"/>.</g>.\n-00016f30: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-00016f40: 6772 6f6d 6163 735f 646f 6d64 6563 2623 gromacs_domdec&#\n-00016f50: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00016f60: 635f 6772 6f6d 6163 735f 6c69 7374 6564 c_gromacs_listed\n-00016f70: 5f66 6f72 6365 7320 2d2d 3e0a 3c67 2069 _forces -->.<g i\n-00016f80: 643d 2265 6467 6531 3337 2220 636c 6173 d=\"edge137\" clas\n-00016f90: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-00016fa0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-00016fb0: 6163 735f 646f 6d64 6563 2623 3435 3b26 acs_domdec-&\n-00016fc0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00016fd0: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n-00016fe0: 6365 733c 2f74 6974 6c65 3e0a 3c70 6174 ces</title>.<pat\n-00016ff0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n-00017000: 726f 6b65 3d22 2332 3832 6663 6322 2073 roke=\"#282fcc\" s\n-00017010: 7472 6f6b 652d 6461 7368 6172 7261 793d troke-dasharray=\n-00017020: 2235 2c32 2220 643d 224d 3939 372e 342c \"5,2\" d=\"M997.4,\n-00017030: 2d36 3434 2e38 3743 3939 342e 3937 2c2d -644.87C994.97,-\n-00017040: 3632 392e 3937 2039 3935 2e31 382c 2d36 629.97 995.18,-6\n-00017050: 3034 2e30 3520 3939 342e 3536 2c2d 3538 04.05 994.56,-58\n-00017060: 312e 3833 2039 3933 2e37 382c 2d35 3533 1.83 993.78,-553\n-00017070: 2e38 3820 3938 382e 3237 2c2d 3534 362e .88 988.27,-546.\n-00017080: 3539 2039 3932 2e35 362c 2d35 3138 2e39 59 992.56,-518.9\n-00017090: 3620 3130 3036 2e30 352c 2d34 3332 2e30 6 1006.05,-432.0\n-000170a0: 3420 3939 312e 3831 2c2d 3339 332e 3937 4 991.81,-393.97\n-000170b0: 2031 3035 322e 3536 2c2d 3333 302e 3335 1052.56,-330.35\n-000170c0: 2031 3136 332e 3832 2c2d 3231 332e 3832 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6373 5f64 6f6d 6465 6326 2334 353b macs_domdec-\n-000171c0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-000171d0: 726f 6d61 6373 5f65 7761 6c64 202d 2d3e romacs_ewald -->\n-000171e0: 0a3c 6720 6964 3d22 6564 6765 3132 3722 .<g id=\"edge127\"\n-000171f0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-00017200: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00017210: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n-00017220: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00017230: 7263 5f67 726f 6d61 6373 5f65 7761 6c64 rc_gromacs_ewald\n-00017240: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n-00017250: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n-00017260: 653d 2272 6564 2220 643d 224d 3130 3237 e=\"red\" d=\"M1027\n-00017270: 2e33 2c2d 3634 372e 3835 4331 3034 352e .3,-647.85C1045.\n-00017280: 3837 2c2d 3634 302e 3338 2031 3037 302e 87,-640.38 1070.\n-00017290: 3632 2c2d 3632 372e 3931 2031 3038 352e 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6c65 5f73 g>.<!-- module_s\n-00017550: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-00017560: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n-00017570: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-00017580: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564 ib -->.<g id=\"ed\n-00017590: 6765 3133 3022 2063 6c61 7373 3d22 6564 ge130\" class=\"ed\n-000175a0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-000175b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n-000175c0: 6f6d 6465 6326 2334 353b 2667 743b 6d6f omdec->mo\n-000175d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000175e0: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c _mdlib</title>.<\n-000175f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00017600: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00017610: 2220 643d 224d 3130 3334 2e38 342c 2d36 \" d=\"M1034.84,-6\n-00017620: 3634 2e39 3143 3130 3730 2e34 352c 2d36 64.91C1070.45,-6\n-00017630: 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302e 3133 points=\"1480.13\n-00017720: 2c2d 3839 322e 3339 2031 3438 392e 3837 ,-892.39 1489.87\n-00017730: 2c2d 3839 362e 3535 2031 3438 342e 3834 ,-896.55 1484.84\n-00017740: 2c2d 3838 372e 3232 2031 3438 302e 3133 ,-887.22 1480.13\n-00017750: 2c2d 3839 322e 3339 222f 3e0a 3c2f 673e ,-892.39\"/>.</g>\n-00017760: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-00017770: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n-00017780: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n-00017790: 655f 7372 635f 6772 6f6d 6163 735f 6861 e_src_gromacs_ha\n-000177a0: 7264 7761 7265 202d 2d3e 0a3c 6720 6964 rdware -->.<g id\n-000177b0: 3d22 6564 6765 3133 3922 2063 6c61 7373 =\"edge139\" class\n-000177c0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n-000177d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000177e0: 6373 5f67 7075 5f75 7469 6c73 2623 3435 cs_gpu_utils-\n-000177f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00017800: 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0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-000178f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00017900: 5f67 7075 5f75 7469 6c73 2623 3435 3b26 _gpu_utils-&\n-00017910: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00017920: 6f6d 6163 735f 7574 696c 6974 7920 2d2d omacs_utility --\n-00017930: 3e0a 3c67 2069 643d 2265 6467 6531 3433 >.<g id=\"edge143\n-00017940: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-00017950: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00017960: 635f 6772 6f6d 6163 735f 6770 755f 7574 c_gromacs_gpu_ut\n-00017970: 696c 7326 2334 353b 2667 743b 6d6f 6475 ils->modu\n-00017980: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n-00017990: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility</title>.<\n-000179a0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-000179b0: 2073 7472 6f6b 653d 2223 3263 6363 3238 stroke=\"#2ccc28\n-000179c0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" 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6163 735f 6d64 7479 src_gromacs_mdty\n-00017ba0: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes</title>.<pat\n-00017bb0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n-00017bc0: 726f 6b65 3d22 2362 6662 6662 6622 2064 roke=\"#bfbfbf\" d\n-00017bd0: 3d22 4d31 3433 332e 3339 2c2d 3239 322e =\"M1433.39,-292.\n-00017be0: 3436 4331 3439 332e 3533 2c2d 3332 372e 46C1493.53,-327.\n-00017bf0: 3620 3136 3537 2e38 312c 2d34 3434 2e32 6 1657.81,-444.2\n-00017c00: 3220 3135 3937 2e35 362c 2d35 3435 2e38 2 1597.56,-545.8\n-00017c10: 3320 3135 3039 2e30 322c 2d36 3935 2e31 3 1509.02,-695.1\n-00017c20: 3420 3132 3732 2e34 372c 2d37 3137 2e34 4 1272.47,-717.4\n-00017c30: 2031 3136 392e 3932 2c2d 3732 302e 3034 1169.92,-720.04\n-00017c40: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-00017c50: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n-00017c60: 6b65 3d22 2362 6662 6662 6622 2070 6f69 ke=\"#bfbfbf\" poi\n-00017c70: 6e74 733d 2231 3136 392e 3737 2c2d 3731 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786d 3c2f 7469 746c 653e 0a3c _nbnxm</title>.<\n-00017d70: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00017d80: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00017d90: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-00017da0: 6179 3d22 352c 3222 2064 3d22 4d31 3337 ay=\"5,2\" d=\"M137\n-00017db0: 352e 3932 2c2d 3237 352e 3534 4331 3239 5.92,-275.54C129\n-00017dc0: 312e 3132 2c2d 3236 342e 3738 2031 3038 1.12,-264.78 108\n-00017dd0: 322e 3431 2c2d 3233 372e 3037 2039 3934 2.41,-237.07 994\n-00017de0: 2e35 2c2d 3232 342e 3931 222f 3e0a 3c70 .5,-224.91\"/>.<p\n-00017df0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n-00017e00: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n-00017e10: 3832 6663 6322 2070 6f69 6e74 733d 2239 82fcc\" points=\"9\n-00017e20: 3934 2e37 382c 2d32 3231 2e34 3120 3938 94.78,-221.41 98\n-00017e30: 342e 3339 2c2d 3232 332e 3531 2039 3933 4.39,-223.51 993\n-00017e40: 2e38 322c 2d32 3238 2e33 3520 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text-anchor=\"\n-00017f30: 6d69 6464 6c65 2220 783d 2232 3436 342e middle\" x=\"2464.\n-00017f40: 3536 2220 793d 222d 3839 2e38 3122 2066 56\" y=\"-89.81\" f\n-00017f50: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565 ont-family=\"Free\n-00017f60: 5361 6e73 2220 666f 6e74 2d73 697a 653d Sans\" font-size=\n-00017f70: 2231 302e 3030 223e 6d61 7468 3c2f 7465 \"10.00\">math</te\n-00017f80: 7874 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f xt>.</g>.<!-- mo\n-00017f90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00017fa0: 5f67 7075 5f75 7469 6c73 2623 3435 3b26 _gpu_utils-&\n-00017fb0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00017fc0: 6f6d 6163 735f 6d61 7468 202d 2d3e 0a3c omacs_math -->.<\n-00017fd0: 6720 6964 3d22 6564 6765 3134 3222 2063 g id=\"edge142\" c\n-00017fe0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-00017ff0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00018000: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n-00018010: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00018020: 7372 635f 6772 6f6d 6163 735f 6d61 7468 src_gromacs_math\n-00018030: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n-00018040: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n-00018050: 653d 2223 3263 6363 3238 2220 7374 726f e=\"#2ccc28\" stro\n-00018060: 6b65 2d64 6173 6861 7272 6179 3d22 352c ke-dasharray=\"5,\n-00018070: 3222 2064 3d22 4d31 3337 322e 3739 2c2d 2\" d=\"M1372.79,-\n-00018080: 3238 302e 3035 4331 3234 332e 3638 2c2d 280.05C1243.68,-\n-00018090: 3237 392e 3831 2038 3438 2e32 342c 2d32 279.81 848.24,-2\n-000180a0: 3733 2e35 3120 3931 322e 3536 2c2d 3230 73.51 912.56,-20\n-000180b0: 342e 3631 2031 3032 312e 372c 2d38 372e 4.61 1021.7,-87.\n-000180c0: 3720 3231 3839 2e32 342c 2d31 3139 2e37 7 2189.24,-119.7\n-000180d0: 3620 3233 3438 2e35 362c 2d31 3035 2e37 6 2348.56,-105.7\n-000180e0: 3420 3233 3735 2e35 2c2d 3130 332e 3337 4 2375.5,-103.37\n-000180f0: 2032 3430 352e 392c 2d31 3030 2e30 3920 2405.9,-100.09 \n-00018100: 3234 3238 2e38 322c 2d39 372e 3439 222f 2428.82,-97.49\"/\n-00018110: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-00018120: 2223 3263 6363 3238 2220 7374 726f 6b65 \"#2ccc28\" stroke\n-00018130: 3d22 2332 6363 6332 3822 2070 6f69 6e74 =\"#2ccc28\" point\n-00018140: 733d 2232 3432 392e 3235 2c2d 3130 302e s=\"2429.25,-100.\n-00018150: 3937 2032 3433 382e 3739 2c2d 3936 2e33 97 2438.79,-96.3\n-00018160: 3520 3234 3238 2e34 352c 2d39 342e 3031 5 2428.45,-94.01\n-00018170: 2032 3432 392e 3235 2c2d 3130 302e 3937 2429.25,-100.97\n-00018180: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-00018190: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000181a0: 5f74 696d 696e 6720 2d2d 3e0a 3c67 2069 _timing -->.<g i\n-000181b0: 643d 226e 6f64 6532 3422 2063 6c61 7373 d=\"node24\" class\n-000181c0: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e =\"node\">.<title>\n-000181d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000181e0: 6373 5f74 696d 696e 673c 2f74 6974 6c65 cs_timing</title\n-000181f0: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d >.<ellipse fill=\n-00018200: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n-00018210: 3d22 626c 6163 6b22 2063 783d 2231 3038 =\"black\" cx=\"108\n-00018220: 392e 3536 2220 6379 3d22 2d37 3833 2e38 9.56\" cy=\"-783.8\n-00018230: 3822 2072 783d 2233 302e 3331 2220 7279 8\" rx=\"30.31\" ry\n-00018240: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874 =\"13.37\"/>.<text\n-00018250: 2074 6578 742d 616e 6368 6f72 3d22 6d69 text-anchor=\"mi\n-00018260: 6464 6c65 2220 783d 2231 3038 392e 3536 ddle\" x=\"1089.56\n-00018270: 2220 793d 222d 3738 312e 3338 2220 666f \" y=\"-781.38\" fo\n-00018280: 6e74 2d66 616d 696c 793d 2246 7265 6553 nt-family=\"FreeS\n-00018290: 616e 7322 2066 6f6e 742d 7369 7a65 3d22 ans\" font-size=\"\n-000182a0: 3130 2e30 3022 3e74 696d 696e 673c 2f74 10.00\">timing</t\n-000182b0: 6578 743e 0a3c 2f67 3e0a 3c21 2d2d 206d ext>.</g>.<!-- m\n-000182c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000182d0: 735f 7469 6d69 6e67 2623 3435 3b26 6774 s_timing->\n-000182e0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-000182f0: 6163 735f 6d64 7479 7065 7320 2d2d 3e0a acs_mdtypes -->.\n-00018300: 3c67 2069 643d 2265 6467 6531 3434 2220 <g id=\"edge144\" \n-00018310: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-00018320: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-00018330: 6772 6f6d 6163 735f 7469 6d69 6e67 2623 gromacs_timing&#\n-00018340: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00018350: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n-00018360: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s</title>.<path \n-00018370: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n-00018380: 6b65 3d22 2362 6662 6662 6622 2064 3d22 ke=\"#bfbfbf\" d=\"\n-00018390: 4d31 3039 362e 3034 2c2d 3737 302e 3536 M1096.04,-770.56\n-000183a0: 4331 3130 302e 3136 2c2d 3736 322e 3732 C1100.16,-762.72\n-000183b0: 2031 3130 352e 362c 2d37 3532 2e33 3620 1105.6,-752.36 \n-000183c0: 3131 3130 2e34 2c2d 3734 332e 3233 222f 1110.4,-743.23\"/\n-000183d0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-000183e0: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n-000183f0: 3d22 2362 6662 6662 6622 2070 6f69 6e74 =\"#bfbfbf\" point\n-00018400: 733d 2231 3131 332e 3534 2c2d 3734 342e s=\"1113.54,-744.\n-00018410: 3739 2031 3131 352e 3039 2c2d 3733 342e 79 1115.09,-734.\n-00018420: 3331 2031 3130 372e 3334 2c2d 3734 312e 31 1107.34,-741.\n-00018430: 3533 2031 3131 332e 3534 2c2d 3734 342e 53 1113.54,-744.\n-00018440: 3739 222f 3e0a 3c2f 673e 0a3c 212d 2d20 79\"/>.</g>.<!-- \n-00018450: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00018460: 6373 5f63 6f72 7265 6c61 7469 6f6e 6675 cs_correlationfu\n-00018470: 6e63 7469 6f6e 7326 2334 353b 2667 743b nctions->\n-00018480: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00018490: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 202d cs_commandline -\n-000184a0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3134 ->.<g id=\"edge14\n-000184b0: 3722 2063 6c61 7373 3d22 6564 6765 223e 7\" class=\"edge\">\n-000184c0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-000184d0: 7263 5f67 726f 6d61 6373 5f63 6f72 7265 rc_gromacs_corre\n-000184e0: 6c61 7469 6f6e 6675 6e63 7469 6f6e 7326 lationfunctions&\n-000184f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00018500: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61 rc_gromacs_comma\n-00018510: 6e64 6c69 6e65 3c2f 7469 746c 653e 0a3c ndline</title>.<\n-00018520: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00018530: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00018540: 2220 643d 224d 3133 3533 2e30 342c 2d31 \" d=\"M1353.04,-1\n-00018550: 3135 342e 3138 4331 3236 322e 3931 2c2d 154.18C1262.91,-\n-00018560: 3131 3435 2e34 3320 3130 3839 2e36 392c 1145.43 1089.69,\n-00018570: 2d31 3132 382e 3237 2039 3432 2e35 362c -1128.27 942.56,\n-00018580: 2d31 3131 312e 3636 2039 3237 2e37 332c -1111.66 927.73,\n-00018590: 2d31 3130 392e 3939 2039 3131 2e36 382c -1109.99 911.68,\n-000185a0: 2d31 3130 382e 3036 2038 3936 2e38 342c -1108.06 896.84,\n-000185b0: 2d31 3130 362e 3234 222f 3e0a 3c70 6f6c -1106.24\"/>.<pol\n-000185c0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n-000185d0: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n-000185e0: 6663 6322 2070 6f69 6e74 733d 2238 3937 fcc\" points=\"897\n-000185f0: 2e31 342c 2d31 3130 322e 3735 2038 3836 .14,-1102.75 886\n-00018600: 2e37 392c 2d31 3130 342e 3939 2038 3936 .79,-1104.99 896\n-00018610: 2e32 382c 2d31 3130 392e 3639 2038 3937 .28,-1109.69 897\n-00018620: 2e31 342c 2d31 3130 322e 3735 222f 3e0a .14,-1102.75\"/>.\n-00018630: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-00018640: 5f73 7263 5f67 726f 6d61 6373 5f63 6f72 _src_gromacs_cor\n-00018650: 7265 6c61 7469 6f6e 6675 6e63 7469 6f6e relationfunction\n-00018660: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-00018670: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n-00018680: 6569 6f20 2d2d 3e0a 3c67 2069 643d 2265 eio -->.<g id=\"e\n-00018690: 6467 6531 3436 2220 636c 6173 733d 2265 dge146\" class=\"e\n-000186a0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-000186b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000186c0: 636f 7272 656c 6174 696f 6e66 756e 6374 correlationfunct\n-000186d0: 696f 6e73 2623 3435 3b26 6774 3b6d 6f64 ions->mod\n-000186e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000186f0: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c fileio</title>.<\n-00018700: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00018710: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00018720: 2220 643d 224d 3134 3034 2e31 332c 2d31 \" d=\"M1404.13,-1\n-00018730: 3134 372e 3538 4331 3338 392e 3334 2c2d 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modu\n-00018820: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-00018830: 6f72 7265 6c61 7469 6f6e 6675 6e63 7469 orrelationfuncti\n-00018840: 6f6e 7326 2334 353b 2667 743b 6d6f 6475 ons->modu\n-00018850: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n-00018860: 6674 202d 2d3e 0a3c 6720 6964 3d22 6564 ft -->.<g id=\"ed\n-00018870: 6765 3134 3522 2063 6c61 7373 3d22 6564 ge145\" class=\"ed\n-00018880: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-00018890: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-000188a0: 6f72 7265 6c61 7469 6f6e 6675 6e63 7469 orrelationfuncti\n-000188b0: 6f6e 7326 2334 353b 2667 743b 6d6f 6475 ons->modu\n-000188c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n-000188d0: 6674 3c2f 7469 746c 653e 0a3c 7061 7468 ft</title>.<path\n-000188e0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n-000188f0: 6f6b 653d 2223 3238 3266 6363 2220 643d oke=\"#282fcc\" d=\n-00018900: 224d 3134 3336 2e35 372c 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6573 7473 3c2f 7469 _mdrun_tests</ti\n-00018ae0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00018af0: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n-00018b00: 6564 2220 643d 224d 3134 3638 2e30 352c ed\" d=\"M1468.05,\n-00018b10: 2d35 3238 2e37 3843 3134 3134 2e32 392c -528.78C1414.29,\n-00018b20: 2d35 3236 2e32 3220 3133 3239 2e37 362c -526.22 1329.76,\n-00018b30: 2d35 3232 2e32 3420 3132 3536 2e35 362c -522.24 1256.56,\n-00018b40: 2d35 3138 2e39 3620 3131 3235 2e38 382c -518.96 1125.88,\n-00018b50: 2d35 3133 2e31 3120 3834 2e35 362c 2d35 -513.11 84.56,-5\n-00018b60: 3338 2e34 3620 3834 2e35 362c 2d34 3037 38.46 84.56,-407\n-00018b70: 2e36 3620 3834 2e35 362c 2d34 3037 2e36 .66 84.56,-407.6\n-00018b80: 3620 3834 2e35 362c 2d34 3037 2e36 3620 6 84.56,-407.66 \n-00018b90: 3834 2e35 362c 2d32 3137 2e30 3520 3834 84.56,-217.05 84\n-00018ba0: 2e35 362c 2d31 3831 2e38 3320 3834 2e39 .56,-181.83 84.9\n-00018bb0: 372c 2d31 3430 2e39 3920 3835 2e32 362c 7,-140.99 85.26,\n-00018bc0: 2d31 3136 2e31 3622 2f3e 0a3c 706f 6c79 -116.16\"/>.<poly\n-00018bd0: 676f 6e20 6669 6c6c 3d22 7265 6422 2073 gon fill=\"red\" s\n-00018be0: 7472 6f6b 653d 2272 6564 2220 706f 696e troke=\"red\" poin\n-00018bf0: 7473 3d22 3838 2e37 372c 2d31 3135 2e39 ts=\"88.77,-115.9\n-00018c00: 3920 3835 2e33 392c 2d31 3035 2e39 3520 9 85.39,-105.95 \n-00018c10: 3831 2e37 372c 2d31 3135 2e39 3120 3838 81.77,-115.91 88\n-00018c20: 2e37 372c 2d31 3135 2e39 3922 2f3e 0a3c .77,-115.99\"/>.<\n-00018c30: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-00018c40: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n-00018c50: 6965 645f 666f 7263 6573 2623 3435 3b26 ied_forces-&\n-00018c60: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00018c70: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n-00018c80: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467 e -->.<g id=\"edg\n-00018c90: 6531 3438 2220 636c 6173 733d 2265 6467 e148\" class=\"edg\n-00018ca0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-00018cb0: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-00018cc0: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n-00018cd0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00018ce0: 6772 6f6d 6163 735f 636f 6d6d 616e 646c gromacs_commandl\n-00018cf0: 696e 653c 2f74 6974 6c65 3e0a 3c70 6174 ine</title>.<pat\n-00018d00: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n-00018d10: 726f 6b65 3d22 626c 6163 6b22 2073 7472 roke=\"black\" str\n-00018d20: 6f6b 652d 6461 7368 6172 7261 793d 2235 oke-dasharray=\"5\n-00018d30: 2c32 2220 643d 224d 3135 3330 2e35 342c ,2\" d=\"M1530.54,\n-00018d40: 2d35 3435 2e37 3243 3135 3336 2e34 352c -545.72C1536.45,\n-00018d50: 2d35 3535 2e32 3720 3135 3434 2e33 342c -555.27 1544.34,\n-00018d60: 2d35 3638 2e39 3920 3135 3439 2e35 362c -568.99 1549.56,\n-00018d70: 2d35 3831 2e38 3320 3135 3630 2e34 372c -581.83 1560.47,\n-00018d80: 2d36 3038 2e36 3420 3135 3630 2e32 382c -608.64 1560.28,\n-00018d90: 2d36 3136 2e34 3420 3135 3636 2e35 362c -616.44 1566.56,\n-00018da0: 2d36 3434 2e37 2031 3539 332e 3436 2c2d -644.7 1593.46,-\n-00018db0: 3736 352e 3738 2031 3632 352e 3839 2c2d 765.78 1625.89,-\n-00018dc0: 3832 372e 3720 3135 3436 2e35 362c 2d39 827.7 1546.56,-9\n-00018dd0: 3233 2e30 3520 3135 3133 2e37 2c2d 3936 23.05 1513.7,-96\n-00018de0: 322e 3534 2031 3439 362e 3337 2c2d 3936 2.54 1496.37,-96\n-00018df0: 342e 3734 2031 3434 392e 3536 2c2d 3938 4.74 1449.56,-98\n-00018e00: 352e 3932 2031 3335 352e 3734 2c2d 3130 5.92 1355.74,-10\n-00018e10: 3238 2e33 3720 3133 3237 2e34 382c 2d31 28.37 1327.48,-1\n-00018e20: 3032 382e 3334 2031 3232 362e 3536 2c2d 028.34 1226.56,-\n-00018e30: 3130 3438 2e37 3920 3132 3138 2e35 362c 1048.79 1218.56,\n-00018e40: 2d31 3035 302e 3431 2031 3030 322e 3034 -1050.41 1002.04\n-00018e50: 2c2d 3130 3737 2e33 3420 3839 372e 3239 ,-1077.34 897.29\n-00018e60: 2c2d 3130 3930 2e33 3222 2f3e 0a3c 706f ,-1090.32\"/>.<po\n-00018e70: 6c79 676f 6e20 6669 6c6c 3d22 626c 6163 lygon fill=\"blac\n-00018e80: 6b22 2073 7472 6f6b 653d 2262 6c61 636b k\" stroke=\"black\n-00018e90: 2220 706f 696e 7473 3d22 3839 362e 372c \" points=\"896.7,\n-00018ea0: 2d31 3038 362e 3837 2038 3837 2e32 312c -1086.87 887.21,\n-00018eb0: 2d31 3039 312e 3537 2038 3937 2e35 362c -1091.57 897.56,\n-00018ec0: 2d31 3039 332e 3832 2038 3936 2e37 2c2d -1093.82 896.7,-\n-00018ed0: 3130 3836 2e38 3722 2f3e 0a3c 2f67 3e0a 1086.87\"/>.</g>.\n-00018ee0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-00018ef0: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n-00018f00: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n-00018f10: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00018f20: 735f 6669 6c65 696f 202d 2d3e 0a3c 6720 s_fileio -->.<g \n-00018f30: 6964 3d22 6564 6765 3134 3922 2063 6c61 id=\"edge149\" cla\n-00018f40: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-00018f50: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00018f60: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n-00018f70: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n-00018f80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n-00018f90: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70 ileio</title>.<p\n-00018fa0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n-00018fb0: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n-00018fc0: 2064 3d22 4d31 3532 372e 3838 2c2d 3534 d=\"M1527.88,-54\n-00018fd0: 362e 3035 4331 3534 382e 3934 2c2d 3539 6.05C1548.94,-59\n-00018fe0: 382e 3338 2031 3632 312e 3234 2c2d 3830 8.38 1621.24,-80\n-00018ff0: 302e 3734 2031 3533 342e 3536 2c2d 3932 0.74 1534.56,-92\n-00019000: 332e 3035 2031 3439 302e 3132 2c2d 3938 3.05 1490.12,-98\n-00019010: 352e 3736 2031 3234 382e 3335 2c2d 3130 5.76 1248.35,-10\n-00019020: 3139 2e36 3320 3131 3535 2e37 312c 2d31 19.63 1155.71,-1\n-00019030: 3033 302e 3436 222f 3e0a 3c70 6f6c 7967 030.46\"/>.<polyg\n-00019040: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n-00019050: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n-00019060: 6622 2070 6f69 6e74 733d 2231 3135 352e f\" points=\"1155.\n-00019070: 3232 2c2d 3130 3236 2e39 3920 3131 3435 22,-1026.99 1145\n-00019080: 2e36 382c 2d31 3033 312e 3631 2031 3135 .68,-1031.61 115\n-00019090: 362e 3031 2c2d 3130 3333 2e39 3520 3131 6.01,-1033.95 11\n-000190a0: 3535 2e32 322c 2d31 3032 362e 3939 222f 55.22,-1026.99\"/\n-000190b0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n-000190c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n-000190d0: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n-000190e0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000190f0: 5f67 726f 6d61 6373 5f68 6172 6477 6172 _gromacs_hardwar\n-00019100: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467 e -->.<g id=\"edg\n-00019110: 6531 3632 2220 636c 6173 733d 2265 6467 e162\" class=\"edg\n-00019120: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-00019130: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-00019140: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n-00019150: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00019160: 6772 6f6d 6163 735f 6861 7264 7761 7265 gromacs_hardware\n-00019170: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n-00019180: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n-00019190: 653d 2272 6564 2220 643d 224d 3135 3131 e=\"red\" d=\"M1511\n-000191a0: 2e34 372c 2d35 3139 2e31 3543 3134 3832 .47,-519.15C1482\n-000191b0: 2e38 312c 2d34 3837 2e35 3120 3134 3036 .81,-487.51 1406\n-000191c0: 2e31 312c 2d34 3032 2e38 3120 3133 3731 .11,-402.81 1371\n-000191d0: 2e32 342c 2d33 3634 2e33 3122 2f3e 0a3c .24,-364.31\"/>.<\n-000191e0: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n-000191f0: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n-00019200: 706f 696e 7473 3d22 3133 3733 2e37 382c points=\"1373.78,\n-00019210: 2d33 3631 2e38 3920 3133 3634 2e34 372c -361.89 1364.47,\n-00019220: 2d33 3536 2e38 3320 3133 3638 2e35 392c -356.83 1368.59,\n-00019230: 2d33 3636 2e35 3920 3133 3733 2e37 382c -366.59 1373.78,\n-00019240: 2d33 3631 2e38 3922 2f3e 0a3c 2f67 3e0a -361.89\"/>.</g>.\n-00019250: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-00019260: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n-00019270: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n-00019280: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00019290: 735f 676d 7870 7265 7072 6f63 6573 7320 s_gmxpreprocess \n-000192a0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-000192b0: 3534 2220 636c 6173 733d 2265 6467 6522 54\" class=\"edge\"\n-000192c0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-000192d0: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n-000192e0: 6965 645f 666f 7263 6573 2623 3435 3b26 ied_forces-&\n-000192f0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00019300: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n-00019310: 6573 733c 2f74 6974 6c65 3e0a 3c70 6174 ess</title>.<pat\n-00019320: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n-00019330: 726f 6b65 3d22 2332 6363 6332 3822 2073 roke=\"#2ccc28\" s\n-00019340: 7472 6f6b 652d 6461 7368 6172 7261 793d troke-dasharray=\n-00019350: 2235 2c32 2220 643d 224d 3135 3736 2e32 \"5,2\" d=\"M1576.2\n-00019360: 2c2d 3533 362e 3732 4331 3733 382e 3937 ,-536.72C1738.97\n-00019370: 2c2d 3534 382e 3035 2032 3232 312e 3837 ,-548.05 2221.87\n-00019380: 2c2d 3539 312e 3037 2032 3331 352e 3536 ,-591.07 2315.56\n-00019390: 2c2d 3730 372e 3537 2032 3535 372e 3739 ,-707.57 2557.79\n-000193a0: 2c2d 3130 3038 2e37 3820 3137 3630 2e35 ,-1008.78 1760.5\n-000193b0: 342c 2d31 3232 332e 3937 2031 3535 302e 4,-1223.97 1550.\n-000193c0: 382c 2d31 3237 342e 3439 222f 3e0a 3c70 8,-1274.49\"/>.<p\n-000193d0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3263 olygon fill=\"#2c\n-000193e0: 6363 3238 2220 7374 726f 6b65 3d22 2332 cc28\" stroke=\"#2\n-000193f0: 6363 6332 3822 2070 6f69 6e74 733d 2231 ccc28\" points=\"1\n-00019400: 3534 392e 3839 2c2d 3132 3731 2e31 3120 549.89,-1271.11 \n-00019410: 3135 3430 2e39 382c 2d31 3237 362e 3833 1540.98,-1276.83\n-00019420: 2031 3535 312e 3532 2c2d 3132 3737 2e39 1551.52,-1277.9\n-00019430: 3120 3135 3439 2e38 392c 2d31 3237 312e 1 1549.89,-1271.\n-00019440: 3131 222f 3e0a 3c2f 673e 0a3c 212d 2d20 11\"/>.</g>.<!-- \n-00019450: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00019460: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n-00019470: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-00019480: 5f73 7263 5f67 726f 6d61 6373 5f6d 6473 _src_gromacs_mds\n-00019490: 7061 6e20 2d2d 3e0a 3c67 2069 643d 2265 pan -->.<g id=\"e\n-000194a0: 6467 6531 3538 2220 636c 6173 733d 2265 dge158\" class=\"e\n-000194b0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-000194c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000194d0: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n-000194e0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000194f0: 635f 6772 6f6d 6163 735f 6d64 7370 616e c_gromacs_mdspan\n-00019500: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n-00019510: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n-00019520: 653d 2272 6564 2220 643d 224d 3134 3839 e=\"red\" d=\"M1489\n-00019530: 2e34 312c 2d35 3231 2e34 3943 3134 3236 .41,-521.49C1426\n-00019540: 2e31 372c 2d35 3030 2e33 3120 3132 3934 .17,-500.31 1294\n-00019550: 2e35 362c 2d34 3434 2e32 3720 3132 3934 .56,-444.27 1294\n-00019560: 2e35 362c 2d33 3434 2e37 3920 3132 3934 .56,-344.79 1294\n-00019570: 2e35 362c 2d33 3434 2e37 3920 3132 3934 .56,-344.79 1294\n-00019580: 2e35 362c 2d33 3434 2e37 3920 3132 3934 .56,-344.79 1294\n-00019590: 2e35 362c 2d31 3534 2e31 3820 3132 3934 .56,-154.18 1294\n-000195a0: 2e35 362c 2d34 392e 3038 2032 3131 362e .56,-49.08 2116.\n-000195b0: 372c 2d33 332e 3136 2032 3332 322e 3336 7,-33.16 2322.36\n-000195c0: 2c2d 3330 2e38 3322 2f3e 0a3c 706f 6c79 ,-30.83\"/>.<poly\n-000195d0: 676f 6e20 6669 6c6c 3d22 7265 6422 2073 gon fill=\"red\" s\n-000195e0: 7472 6f6b 653d 2272 6564 2220 706f 696e troke=\"red\" poin\n-000195f0: 7473 3d22 3233 3232 2e35 362c 2d33 342e ts=\"2322.56,-34.\n-00019600: 3332 2032 3333 322e 3532 2c2d 3330 2e37 32 2332.52,-30.7\n-00019610: 3220 3233 3232 2e34 382c 2d32 372e 3332 2 2322.48,-27.32\n-00019620: 2032 3332 322e 3536 2c2d 3334 2e33 3222 2322.56,-34.32\"\n-00019630: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-00019640: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00019650: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n-00019660: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00019670: 635f 6772 6f6d 6163 735f 7261 6e64 6f6d c_gromacs_random\n-00019680: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-00019690: 3136 3122 2063 6c61 7373 3d22 6564 6765 161\" class=\"edge\n-000196a0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-000196b0: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n-000196c0: 6c69 6564 5f66 6f72 6365 7326 2334 353b lied_forces-\n-000196d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-000196e0: 726f 6d61 6373 5f72 616e 646f 6d3c 2f74 romacs_random</t\n-000196f0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00019700: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00019710: 626c 6163 6b22 2073 7472 6f6b 652d 6461 black\" stroke-da\n-00019720: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-00019730: 224d 3135 3734 2e31 2c2d 3532 362e 3843 \"M1574.1,-526.8C\n-00019740: 3137 3033 2e34 382c 2d35 3135 2e32 3520 1703.48,-515.25 \n-00019750: 3230 3430 2e31 392c 2d34 3835 2e32 2032 2040.19,-485.2 2\n-00019760: 3136 302e 3739 2c2d 3437 342e 3433 222f 160.79,-474.43\"/\n-00019770: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-00019780: 2262 6c61 636b 2220 7374 726f 6b65 3d22 \"black\" stroke=\"\n-00019790: 626c 6163 6b22 2070 6f69 6e74 733d 2232 black\" points=\"2\n-000197a0: 3136 312e 3436 2c2d 3437 372e 3839 2032 161.46,-477.89 2\n-000197b0: 3137 312e 3131 2c2d 3437 332e 3531 2032 171.11,-473.51 2\n-000197c0: 3136 302e 3834 2c2d 3437 302e 3931 2032 160.84,-470.91 2\n-000197d0: 3136 312e 3436 2c2d 3437 372e 3839 222f 161.46,-477.89\"/\n-000197e0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n-000197f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n-00019800: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n-00019810: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00019820: 5f67 726f 6d61 6373 5f64 6f6d 6465 6320 _gromacs_domdec \n-00019830: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-00019840: 3533 2220 636c 6173 733d 2265 6467 6522 53\" class=\"edge\"\n-00019850: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00019860: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n-00019870: 6965 645f 666f 7263 6573 2623 3435 3b26 ied_forces-&\n-00019880: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00019890: 6f6d 6163 735f 646f 6d64 6563 3c2f 7469 omacs_domdec</ti\n-000198a0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-000198b0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-000198c0: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-000198d0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-000198e0: 3d22 4d31 3438 312e 3737 2c2d 3534 312e =\"M1481.77,-541.\n-000198f0: 3843 3134 3336 2e39 382c 2d35 3531 2e31 8C1436.98,-551.1\n-00019900: 3420 3133 3632 2e39 392c 2d35 3636 2e38 4 1362.99,-566.8\n-00019910: 3820 3132 3939 2e35 362c 2d35 3831 2e38 8 1299.56,-581.8\n-00019920: 3320 3132 3036 2e35 322c 2d36 3033 2e37 3 1206.52,-603.7\n-00019930: 3620 3130 3937 2e37 332c 2d36 3332 2e31 6 1097.73,-632.1\n-00019940: 3520 3130 3431 2e35 312c 2d36 3437 2e30 5 1041.51,-647.0\n-00019950: 3222 2f3e 0a3c 706f 6c79 676f 6e20 6669 2\"/>.<polygon fi\n-00019960: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n-00019970: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n-00019980: 696e 7473 3d22 3130 3430 2e34 312c 2d36 ints=\"1040.41,-6\n-00019990: 3433 2e37 2031 3033 312e 3634 2c2d 3634 43.7 1031.64,-64\n-000199a0: 392e 3634 2031 3034 322e 322c 2d36 3530 9.64 1042.2,-650\n-000199b0: 2e34 3620 3130 3430 2e34 312c 2d36 3433 .46 1040.41,-643\n-000199c0: 2e37 222f 3e0a 3c2f 673e 0a3c 212d 2d20 .7\"/>.</g>.<!-- \n-000199d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000199e0: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n-000199f0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-00019a00: 5f73 7263 5f67 726f 6d61 6373 5f6f 7074 _src_gromacs_opt\n-00019a10: 696f 6e73 202d 2d3e 0a3c 6720 6964 3d22 ions -->.<g id=\"\n-00019a20: 6564 6765 3135 3122 2063 6c61 7373 3d22 edge151\" class=\"\n-00019a30: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-00019a40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00019a50: 5f61 7070 6c69 6564 5f66 6f72 6365 7326 _applied_forces&\n-00019a60: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00019a70: 7263 5f67 726f 6d61 6373 5f6f 7074 696f rc_gromacs_optio\n-00019a80: 6e73 3c2f 7469 746c 653e 0a3c 7061 7468 ns</title>.<path\n-00019a90: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n-00019aa0: 6f6b 653d 2262 6c61 636b 2220 7374 726f oke=\"black\" stro\n-00019ab0: 6b65 2d64 6173 6861 7272 6179 3d22 352c ke-dasharray=\"5,\n-00019ac0: 3222 2064 3d22 4d31 3534 362e 3532 2c2d 2\" d=\"M1546.52,-\n-00019ad0: 3532 302e 3039 4331 3536 372e 3639 2c2d 520.09C1567.69,-\n-00019ae0: 3531 302e 3120 3135 3938 2e36 352c 2d34 510.1 1598.65,-4\n-00019af0: 3935 2e34 3920 3136 3231 2e34 382c 2d34 95.49 1621.48,-4\n-00019b00: 3834 2e37 3222 2f3e 0a3c 706f 6c79 676f 84.72\"/>.<polygo\n-00019b10: 6e20 6669 6c6c 3d22 626c 6163 6b22 2073 n fill=\"black\" s\n-00019b20: 7472 6f6b 653d 2262 6c61 636b 2220 706f troke=\"black\" po\n-00019b30: 696e 7473 3d22 3136 3233 2e31 362c 2d34 ints=\"1623.16,-4\n-00019b40: 3837 2e38 2031 3633 302e 3731 2c2d 3438 87.8 1630.71,-48\n-00019b50: 302e 3336 2031 3632 302e 3137 2c2d 3438 0.36 1620.17,-48\n-00019b60: 312e 3437 2031 3632 332e 3136 2c2d 3438 1.47 1623.16,-48\n-00019b70: 372e 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d 7.8\"/>.</g>.<!--\n-00019b80: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-00019b90: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n-00019ba0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n-00019bb0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-00019bc0: 786c 6962 202d 2d3e 0a3c 6720 6964 3d22 xlib -->.<g id=\"\n-00019bd0: 6564 6765 3135 3622 2063 6c61 7373 3d22 edge156\" class=\"\n-00019be0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-00019bf0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00019c00: 5f61 7070 6c69 6564 5f66 6f72 6365 7326 _applied_forces&\n-00019c10: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00019c20: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-00019c30: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b</title>.<path \n-00019c40: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n-00019c50: 6b65 3d22 2362 6662 6662 6622 2064 3d22 ke=\"#bfbfbf\" d=\"\n-00019c60: 4d31 3438 322e 3334 2c2d 3532 322e 3836 M1482.34,-522.86\n-00019c70: 4331 3435 302e 3534 2c2d 3531 352e 3134 C1450.54,-515.14\n-00019c80: 2031 3430 352e 3634 2c2d 3530 322e 3034 1405.64,-502.04\n-00019c90: 2031 3336 392e 3536 2c2d 3438 322e 3936 1369.56,-482.96\n-00019ca0: 2031 3138 312e 3133 2c2d 3338 332e 3334 1181.13,-383.34\n-00019cb0: 2031 3232 322e 3038 2c2d 3233 392e 3239 1222.08,-239.29\n-00019cc0: 2031 3033 322e 3536 2c2d 3134 312e 3734 1032.56,-141.74\n-00019cd0: 2039 3733 2e35 2c2d 3131 312e 3334 2037 973.5,-111.34 7\n-00019ce0: 3736 2e36 322c 2d39 392e 3031 2036 3930 76.62,-99.01 690\n-00019cf0: 2e30 332c 2d39 342e 3937 222f 3e0a 3c70 .03,-94.97\"/>.<p\n-00019d00: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n-00019d10: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n-00019d20: 6662 6662 6622 2070 6f69 6e74 733d 2236 fbfbf\" points=\"6\n-00019d30: 3930 2e31 382c 2d39 312e 3437 2036 3830 90.18,-91.47 680\n-00019d40: 2e30 332c 2d39 342e 3531 2036 3839 2e38 .03,-94.51 689.8\n-00019d50: 362c 2d39 382e 3436 2036 3930 2e31 382c 6,-98.46 690.18,\n-00019d60: 2d39 312e 3437 222f 3e0a 3c2f 673e 0a3c -91.47\"/>.</g>.<\n-00019d70: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00019d80: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-00019d90: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n-00019da0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00019db0: 5f6d 6474 7970 6573 202d 2d3e 0a3c 6720 _mdtypes -->.<g \n-00019dc0: 6964 3d22 6564 6765 3135 3022 2063 6c61 id=\"edge150\" cla\n-00019dd0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-00019de0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00019df0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n-00019e00: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n-00019e10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00019e20: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes</title>.<\n-00019e30: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00019e40: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00019e50: 2220 643d 224d 3135 3134 2e33 392c 2d35 \" d=\"M1514.39,-5\n-00019e60: 3435 2e38 3943 3135 3032 2e39 312c 2d35 45.89C1502.91,-5\n-00019e70: 3632 2e35 2031 3438 302e 352c 2d35 3931 62.5 1480.5,-591\n-00019e80: 2e37 3220 3134 3534 2e35 362c 2d36 3038 .72 1454.56,-608\n-00019e90: 2e37 2031 3336 312e 362c 2d36 3639 2e35 .7 1361.6,-669.5\n-00019ea0: 3320 3132 3332 2e32 332c 2d37 3030 2e31 3 1232.23,-700.1\n-00019eb0: 3620 3131 3635 2e34 2c2d 3731 322e 3736 6 1165.4,-712.76\n-00019ec0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-00019ed0: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n-00019ee0: 6b65 3d22 2362 6662 6662 6622 2070 6f69 ke=\"#bfbfbf\" poi\n-00019ef0: 6e74 733d 2231 3136 342e 3433 2c2d 3730 nts=\"1164.43,-70\n-00019f00: 392e 3338 2031 3135 352e 3233 2c2d 3731 9.38 1155.23,-71\n-00019f10: 342e 3633 2031 3136 352e 372c 2d37 3136 4.63 1165.7,-716\n-00019f20: 2e32 3720 3131 3634 2e34 332c 2d37 3039 .27 1164.43,-709\n-00019f30: 2e33 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d .38\"/>.</g>.<!--\n-00019f40: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-00019f50: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n-00019f60: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n-00019f70: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00019f80: 7275 6e75 7469 6c69 7479 202d 2d3e 0a3c runutility -->.<\n-00019f90: 6720 6964 3d22 6564 6765 3135 3222 2063 g id=\"edge152\" c\n-00019fa0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-00019fb0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00019fc0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-00019fd0: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n-00019fe0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00019ff0: 5f6d 6472 756e 7574 696c 6974 793c 2f74 _mdrunutility</t\n-0001a000: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0001a010: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0001a020: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-0001a030: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-0001a040: 643d 224d 3135 3032 2e37 322c 2d35 3435 d=\"M1502.72,-545\n-0001a050: 2e32 3443 3134 3735 2e35 392c 2d35 3631 .24C1475.59,-561\n-0001a060: 2e31 3120 3134 3235 2e30 362c 2d35 3839 .11 1425.06,-589\n-0001a070: 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2c2d 3737 352e .88 912.15,-775.\n-0001a160: 3532 2039 3232 2e36 382c 2d37 3736 2e37 52 922.68,-776.7\n-0001a170: 3120 3932 312e 3133 2c2d 3736 392e 3838 1 921.13,-769.88\n-0001a180: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-0001a190: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001a1a0: 5f61 7070 6c69 6564 5f66 6f72 6365 7326 _applied_forces&\n-0001a1b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001a1c0: 7263 5f67 726f 6d61 6373 5f63 6f6d 7061 rc_gromacs_compa\n-0001a1d0: 7420 2d2d 3e0a 3c67 2069 643d 2265 6467 t -->.<g id=\"edg\n-0001a1e0: 6531 3539 2220 636c 6173 733d 2265 6467 e159\" class=\"edg\n-0001a1f0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-0001a200: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-0001a210: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n-0001a220: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001a230: 6772 6f6d 6163 735f 636f 6d70 6174 3c2f gromacs_compat</\n-0001a240: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0001a250: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0001a260: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-0001a270: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-0001a280: 2064 3d22 4d31 3535 372e 3135 2c2d 3532 d=\"M1557.15,-52\n-0001a290: 312e 3636 4331 3539 312e 3839 2c2d 3531 1.66C1591.89,-51\n-0001a2a0: 312e 3839 2031 3634 362e 3934 2c2d 3439 1.89 1646.94,-49\n-0001a2b0: 362e 3339 2031 3639 342e 3536 2c2d 3438 6.39 1694.56,-48\n-0001a2c0: 322e 3936 2031 3639 362e 3838 2c2d 3438 2.96 1696.88,-48\n-0001a2d0: 322e 3331 2031 3639 392e 3237 2c2d 3438 2.31 1699.27,-48\n-0001a2e0: 312e 3633 2031 3730 312e 3638 2c2d 3438 1.63 1701.68,-48\n-0001a2f0: 302e 3935 222f 3e0a 3c70 6f6c 7967 6f6e 0.95\"/>.<polygon\n-0001a300: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n-0001a310: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n-0001a320: 2070 6f69 6e74 733d 2231 3730 322e 392c points=\"1702.9,\n-0001a330: 2d34 3834 2e32 3420 3137 3131 2e35 372c -484.24 1711.57,\n-0001a340: 2d34 3738 2e31 3620 3137 3030 2e39 392c -478.16 1700.99,\n-0001a350: 2d34 3737 2e35 3120 3137 3032 2e39 2c2d -477.51 1702.9,-\n-0001a360: 3438 342e 3234 222f 3e0a 3c2f 673e 0a3c 484.24\"/>.</g>.<\n-0001a370: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001a380: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-0001a390: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n-0001a3a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001a3b0: 5f65 7761 6c64 202d 2d3e 0a3c 6720 6964 _ewald -->.<g id\n-0001a3c0: 3d22 6564 6765 3136 3022 2063 6c61 7373 =\"edge160\" class\n-0001a3d0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n-0001a3e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001a3f0: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n-0001a400: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0001a410: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n-0001a420: 6c64 3c2f 7469 746c 653e 0a3c 7061 7468 ld</title>.<path\n-0001a430: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n-0001a440: 6f6b 653d 2223 3238 3266 6363 2220 7374 oke=\"#282fcc\" st\n-0001a450: 726f 6b65 2d64 6173 6861 7272 6179 3d22 roke-dasharray=\"\n-0001a460: 352c 3222 2064 3d22 4d31 3438 312e 3935 5,2\" d=\"M1481.95\n-0001a470: 2c2d 3532 322e 3839 4331 3433 382e 3937 ,-522.89C1438.97\n-0001a480: 2c2d 3531 332e 3732 2031 3336 392e 3233 ,-513.72 1369.23\n-0001a490: 2c2d 3439 382e 3336 2031 3330 392e 3536 ,-498.36 1309.56\n-0001a4a0: 2c2d 3438 322e 3936 2031 3330 362e 342c ,-482.96 1306.4,\n-0001a4b0: 2d34 3832 2e31 3420 3133 3033 2e31 322c -482.14 1303.12,\n-0001a4c0: 2d34 3831 2e32 3620 3132 3939 2e38 342c -481.26 1299.84,\n-0001a4d0: 2d34 3830 2e33 3622 2f3e 0a3c 706f 6c79 -480.36\"/>.<poly\n-0001a4e0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n-0001a4f0: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n-0001a500: 6363 2220 706f 696e 7473 3d22 3133 3030 cc\" points=\"1300\n-0001a510: 2e37 322c 2d34 3736 2e39 3720 3132 3930 .72,-476.97 1290\n-0001a520: 2e31 352c 2d34 3737 2e36 3120 3132 3938 .15,-477.61 1298\n-0001a530: 2e38 322c 2d34 3833 2e37 2031 3330 302e .82,-483.7 1300.\n-0001a540: 3732 2c2d 3437 362e 3937 222f 3e0a 3c2f 72,-476.97\"/>.</\n-0001a550: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-0001a560: 7263 5f67 726f 6d61 6373 5f61 7070 6c69 rc_gromacs_appli\n-0001a570: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n-0001a580: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001a590: 6d61 6373 5f6d 646c 6962 202d 2d3e 0a3c macs_mdlib -->.<\n-0001a5a0: 6720 6964 3d22 6564 6765 3135 3722 2063 g id=\"edge157\" c\n-0001a5b0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-0001a5c0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-0001a5d0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-0001a5e0: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n-0001a5f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001a600: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c _mdlib</title>.<\n-0001a610: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001a620: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-0001a630: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-0001a640: 6179 3d22 352c 3222 2064 3d22 4d31 3532 ay=\"5,2\" d=\"M152\n-0001a650: 352e 3733 2c2d 3534 352e 3937 4331 3533 5.73,-545.97C153\n-0001a660: 302e 3731 2c2d 3536 362e 3438 2031 3534 0.71,-566.48 154\n-0001a670: 302e 3137 2c2d 3630 382e 3438 2031 3534 0.17,-608.48 154\n-0001a680: 332e 3536 2c2d 3634 342e 3720 3135 3532 3.56,-644.7 1552\n-0001a690: 2e30 342c 2d37 3335 2e33 3720 3135 3230 .04,-735.37 1520\n-0001a6a0: 2e36 342c 2d38 3431 2e37 3320 3135 3035 .64,-841.73 1505\n-0001a6b0: 2e34 2c2d 3838 362e 3734 222f 3e0a 3c70 .4,-886.74\"/>.<p\n-0001a6c0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n-0001a6d0: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n-0001a6e0: 3832 6663 6322 2070 6f69 6e74 733d 2231 82fcc\" points=\"1\n-0001a6f0: 3530 322e 3034 2c2d 3838 352e 3735 2031 502.04,-885.75 1\n-0001a700: 3530 322e 3038 2c2d 3839 362e 3334 2031 502.08,-896.34 1\n-0001a710: 3530 382e 3636 2c2d 3838 382e 3034 2031 508.66,-888.04 1\n-0001a720: 3530 322e 3034 2c2d 3838 352e 3735 222f 502.04,-885.75\"/\n-0001a730: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n-0001a740: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0001a750: 696d 6963 2623 3435 3b26 6774 3b6d 6f64 imic->mod\n-0001a760: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001a770: 6d64 6c69 6220 2d2d 3e0a 3c67 2069 643d mdlib -->.<g id=\n-0001a780: 2265 6467 6531 3633 2220 636c 6173 733d \"edge163\" class=\n-0001a790: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0001a7a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001a7b0: 735f 6d69 6d69 6326 2334 353b 2667 743b s_mimic->\n-0001a7c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001a7d0: 6373 5f6d 646c 6962 3c2f 7469 746c 653e cs_mdlib</title>\n-0001a7e0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .<path fill=\"non\n-0001a7f0: 6522 2073 7472 6f6b 653d 2223 3238 3266 e\" stroke=\"#282f\n-0001a800: 6363 2220 7374 726f 6b65 2d64 6173 6861 cc\" stroke-dasha\n-0001a810: 7272 6179 3d22 352c 3222 2064 3d22 4d31 rray=\"5,2\" d=\"M1\n-0001a820: 3839 362e 332c 2d35 3435 2e37 3943 3138 896.3,-545.79C18\n-0001a830: 3837 2e34 362c 2d35 3637 2e37 3820 3138 87.46,-567.78 18\n-0001a840: 3730 2e35 362c 2d36 3135 2e32 3820 3138 70.56,-615.28 18\n-0001a850: 3730 2e35 362c 2d36 3537 2e31 3420 3138 70.56,-657.14 18\n-0001a860: 3730 2e35 362c 2d37 3232 2e30 3120 3138 70.56,-722.01 18\n-0001a870: 3730 2e35 362c 2d37 3232 2e30 3120 3138 70.56,-722.01 18\n-0001a880: 3730 2e35 362c 2d37 3232 2e30 3120 3138 70.56,-722.01 18\n-0001a890: 3730 2e35 362c 2d37 3838 2e31 2031 3836 70.56,-788.1 186\n-0001a8a0: 372e 332c 2d38 3139 2e30 3520 3138 3135 7.3,-819.05 1815\n-0001a8b0: 2e35 362c 2d38 3630 2e31 3820 3137 3933 .56,-860.18 1793\n-0001a8c0: 2e38 362c 2d38 3737 2e34 3320 3136 3134 .86,-877.43 1614\n-0001a8d0: 2e34 372c 2d38 3937 2e30 3620 3135 3335 .47,-897.06 1535\n-0001a8e0: 2e31 2c2d 3930 3522 2f3e 0a3c 706f 6c79 .1,-905\"/>.<poly\n-0001a8f0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n-0001a900: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n-0001a910: 6363 2220 706f 696e 7473 3d22 3135 3334 cc\" points=\"1534\n-0001a920: 2e36 342c 2d39 3031 2e35 3320 3135 3235 .64,-901.53 1525\n-0001a930: 2e30 332c 2d39 3036 2031 3533 352e 3333 .03,-906 1535.33\n-0001a940: 2c2d 3930 382e 3520 3135 3334 2e36 342c ,-908.5 1534.64,\n-0001a950: 2d39 3031 2e35 3322 2f3e 0a3c 2f67 3e0a -901.53\"/>.</g>.\n-0001a960: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-0001a970: 6772 6f6d 6163 735f 6c69 6e65 6172 616c gromacs_linearal\n-0001a980: 6765 6272 6120 2d2d 3e0a 3c67 2069 643d gebra -->.<g id=\n-0001a990: 226e 6f64 6532 3822 2063 6c61 7373 3d22 \"node28\" class=\"\n-0001a9a0: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f node\">.<title>mo\n+00013a30: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273 gromacs_modulars\n+00013a40: 696d 756c 6174 6f72 202d 2d3e 0a3c 6720 imulator -->.<g \n+00013a50: 6964 3d22 6564 6765 3131 3922 2063 6c61 id=\"edge119\" cla\n+00013a60: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+00013a70: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+00013a80: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n+00013a90: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00013aa0: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n+00013ab0: 756c 6174 6f72 3c2f 7469 746c 653e 0a3c ulator</title>.<\n+00013ac0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00013ad0: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n+00013ae0: 224d 3130 3330 2e31 2c2d 3435 392e 3843 \"M1030.1,-459.8C\n+00013af0: 3130 3334 2e38 342c 2d34 3538 2e35 2031 1034.84,-458.5 1\n+00013b00: 3033 392e 3833 2c2d 3435 372e 3232 2031 039.83,-457.22 1\n+00013b10: 3034 342e 3536 2c2d 3435 362e 3039 2031 044.56,-456.09 1\n+00013b20: 3130 392e 3233 2c2d 3434 302e 3720 3131 109.23,-440.7 11\n+00013b30: 3834 2e34 312c 2d34 3236 2e31 3820 3132 84.41,-426.18 12\n+00013b40: 3335 2e36 2c2d 3431 372e 3132 222f 3e0a 35.6,-417.12\"/>.\n+00013b50: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 <polygon fill=\"r\n+00013b60: 6564 2220 7374 726f 6b65 3d22 7265 6422 ed\" stroke=\"red\"\n+00013b70: 2070 6f69 6e74 733d 2231 3233 362e 3236 points=\"1236.26\n+00013b80: 2c2d 3432 302e 3536 2031 3234 352e 3531 ,-420.56 1245.51\n+00013b90: 2c2d 3431 352e 3338 2031 3233 352e 3035 ,-415.38 1235.05\n+00013ba0: 2c2d 3431 332e 3636 2031 3233 362e 3236 ,-413.66 1236.26\n+00013bb0: 2c2d 3432 302e 3536 222f 3e0a 3c2f 673e ,-420.56\"/>.</g>\n+00013bc0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00013bd0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n+00013be0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00013bf0: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n+00013c00: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+00013c10: 3130 3122 2063 6c61 7373 3d22 6564 6765 101\" class=\"edge\n+00013c20: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00013c30: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+00013c40: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n+00013c50: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n+00013c60: 6d64 6563 3c2f 7469 746c 653e 0a3c 7061 mdec</title>.<pa\n+00013c70: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n+00013c80: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+00013c90: 643d 224d 3130 3234 2e38 322c 2d34 3538 d=\"M1024.82,-458\n+00013ca0: 2e30 3343 3130 3632 2e38 312c 2d34 3335 .03C1062.81,-435\n+00013cb0: 2e37 3320 3131 3530 2e31 352c 2d33 3831 .73 1150.15,-381\n+00013cc0: 2e34 3520 3131 3135 2e35 362c 2d33 3330 .45 1115.56,-330\n+00013cd0: 2e33 3520 3130 3939 2e38 342c 2d33 3037 .35 1099.84,-307\n+00013ce0: 2e31 3320 3130 3730 2e39 392c 2d32 3935 .13 1070.99,-295\n+00013cf0: 2e30 3420 3130 3436 2e34 322c 2d32 3838 .04 1046.42,-288\n+00013d00: 2e37 3522 2f3e 0a3c 706f 6c79 676f 6e20 .75\"/>.<polygon \n+00013d10: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+00013d20: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+00013d30: 706f 696e 7473 3d22 3130 3437 2e30 382c points=\"1047.08,\n+00013d40: 2d32 3835 2e33 3120 3130 3336 2e35 352c -285.31 1036.55,\n+00013d50: 2d32 3836 2e34 3620 3130 3435 2e35 2c2d -286.46 1045.5,-\n+00013d60: 3239 322e 3133 2031 3034 372e 3038 2c2d 292.13 1047.08,-\n+00013d70: 3238 352e 3331 222f 3e0a 3c2f 673e 0a3c 285.31\"/>.</g>.<\n+00013d80: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00013d90: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00013da0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00013db0: 6772 6f6d 6163 735f 6d64 6c69 6220 2d2d gromacs_mdlib --\n+00013dc0: 3e0a 3c67 2069 643d 2265 6467 6531 3036 >.<g id=\"edge106\n+00013dd0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+00013de0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00013df0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n+00013e00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00013e10: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+00013e20: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n+00013e30: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n+00013e40: 653d 2272 6564 2220 643d 224d 3130 3131 e=\"red\" d=\"M1011\n+00013e50: 2e30 352c 2d34 3535 2e39 4331 3031 352e .05,-455.9C1015.\n+00013e60: 3931 2c2d 3433 312e 3532 2031 3032 372e 91,-431.52 1027.\n+00013e70: 3139 2c2d 3337 362e 3334 2031 3033 382e 19,-376.34 1038.\n+00013e80: 3536 2c2d 3333 302e 3335 2031 3034 322e 56,-330.35 1042.\n+00013e90: 3535 2c2d 3331 342e 3233 2031 3034 362e 55,-314.23 1046.\n+00013ea0: 3332 2c2d 3331 302e 3820 3130 3438 2e35 32,-310.8 1048.5\n+00013eb0: 362c 2d32 3934 2e33 3520 3130 3530 2e31 6,-294.35 1050.1\n+00013ec0: 372c 2d32 3832 2e35 3220 3130 3532 2e39 7,-282.52 1052.9\n+00013ed0: 332c 2d32 3738 2e36 2031 3034 382e 3536 3,-278.6 1048.56\n+00013ee0: 2c2d 3236 372e 3438 2031 3034 332e 3839 ,-267.48 1043.89\n+00013ef0: 2c2d 3235 352e 3538 2031 3033 342e 3736 ,-255.58 1034.76\n+00013f00: 2c2d 3234 342e 3837 2031 3032 352e 3934 ,-244.87 1025.94\n+00013f10: 2c2d 3233 362e 3536 222f 3e0a 3c70 6f6c ,-236.56\"/>.<pol\n+00013f20: 7967 6f6e 2066 696c 6c3d 2272 6564 2220 ygon fill=\"red\" \n+00013f30: 7374 726f 6b65 3d22 7265 6422 2070 6f69 stroke=\"red\" poi\n+00013f40: 6e74 733d 2231 3032 382e 3231 2c2d 3233 nts=\"1028.21,-23\n+00013f50: 332e 3839 2031 3031 382e 3339 2c2d 3232 3.89 1018.39,-22\n+00013f60: 392e 3931 2031 3032 332e 3538 2c2d 3233 9.91 1023.58,-23\n+00013f70: 392e 3135 2031 3032 382e 3231 2c2d 3233 9.15 1028.21,-23\n+00013f80: 332e 3839 222f 3e0a 3c2f 673e 0a3c 212d 3.89\"/>.</g>.<!-\n+00013f90: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00013fa0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n+00013fb0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00013fc0: 6f6d 6163 735f 676d 786c 6962 202d 2d3e omacs_gmxlib -->\n+00013fd0: 0a3c 6720 6964 3d22 6564 6765 3130 3422 .<g id=\"edge104\"\n+00013fe0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00013ff0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00014000: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n+00014010: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00014020: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n+00014030: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n+00014040: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n+00014050: 653d 2223 6266 6266 6266 2220 643d 224d e=\"#bfbfbf\" d=\"M\n+00014060: 3130 3038 2e30 342c 2d34 3833 2e30 3543 1008.04,-483.05C\n+00014070: 3130 3036 2e39 342c 2d35 3232 2e37 3320 1006.94,-522.73 \n+00014080: 3130 3037 2e37 362c 2d36 3438 2e30 3820 1007.76,-648.08 \n+00014090: 3130 3536 2e35 362c 2d37 3334 2e34 3420 1056.56,-734.44 \n+000140a0: 3130 3633 2e36 372c 2d37 3437 2e30 3320 1063.67,-747.03 \n+000140b0: 3130 3735 2e33 312c 2d37 3537 2e39 3820 1075.31,-757.98 \n+000140c0: 3130 3836 2e30 352c 2d37 3636 2e32 3722 1086.05,-766.27\"\n+000140d0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+000140e0: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+000140f0: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n+00014100: 7473 3d22 3130 3834 2e32 322c 2d37 3639 ts=\"1084.22,-769\n+00014110: 2e32 3820 3130 3934 2e33 372c 2d37 3732 .28 1094.37,-772\n+00014120: 2e33 3320 3130 3838 2e33 342c 2d37 3633 .33 1088.34,-763\n+00014130: 2e36 3220 3130 3834 2e32 322c 2d37 3639 .62 1084.22,-769\n+00014140: 2e32 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d .28\"/>.</g>.<!--\n+00014150: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+00014160: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n+00014170: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00014180: 6d61 6373 5f66 696c 6569 6f20 2d2d 3e0a macs_fileio -->.\n+00014190: 3c67 2069 643d 2265 6467 6531 3033 2220 <g id=\"edge103\" \n+000141a0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+000141b0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+000141c0: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n+000141d0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000141e0: 5f67 726f 6d61 6373 5f66 696c 6569 6f3c _gromacs_fileio<\n+000141f0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00014200: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00014210: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n+00014220: 3033 392e 3135 2c2d 3437 322e 3735 4331 039.15,-472.75C1\n+00014230: 3130 352e 3235 2c2d 3437 372e 3839 2031 105.25,-477.89 1\n+00014240: 3236 362e 3133 2c2d 3439 322e 3237 2031 266.13,-492.27 1\n+00014250: 3339 382e 3536 2c2d 3531 382e 3936 2031 398.56,-518.96 1\n+00014260: 3537 322e 3038 2c2d 3535 332e 3933 2031 572.08,-553.93 1\n+00014270: 3737 342e 3034 2c2d 3632 302e 3320 3138 774.04,-620.3 18\n+00014280: 3530 2e32 392c 2d36 3436 2e33 222f 3e0a 50.29,-646.3\"/>.\n+00014290: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+000142a0: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n+000142b0: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n+000142c0: 2231 3834 392e 362c 2d36 3439 2e37 3720 \"1849.6,-649.77 \n+000142d0: 3138 3630 2e32 2c2d 3634 392e 3639 2031 1860.2,-649.69 1\n+000142e0: 3835 312e 3837 2c2d 3634 332e 3134 2031 851.87,-643.14 1\n+000142f0: 3834 392e 362c 2d36 3439 2e37 3722 2f3e 849.6,-649.77\"/>\n+00014300: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00014310: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00014320: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n+00014330: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00014340: 6472 756e 7574 696c 6974 7920 2d2d 3e0a drunutility -->.\n+00014350: 3c67 2069 643d 2265 6467 6531 3037 2220 <g id=\"edge107\" \n+00014360: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00014370: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00014380: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n+00014390: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000143a0: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n+000143b0: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility</title>.<p\n+000143c0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n+000143d0: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n+000143e0: 2064 3d22 4d31 3033 382e 3737 2c2d 3437 d=\"M1038.77,-47\n+000143f0: 322e 3839 4331 3132 302e 3933 2c2d 3437 2.89C1120.93,-47\n+00014400: 392e 3837 2031 3335 342e 3133 2c2d 3530 9.87 1354.13,-50\n+00014410: 312e 3031 2031 3534 372e 3536 2c2d 3531 1.01 1547.56,-51\n+00014420: 382e 3936 2031 3537 302e 3631 2c2d 3532 8.96 1570.61,-52\n+00014430: 312e 3120 3135 3935 2e39 322c 2d35 3233 1.1 1595.92,-523\n+00014440: 2e34 3820 3136 3137 2e36 322c 2d35 3235 .48 1617.62,-525\n+00014450: 2e35 3822 2f3e 0a3c 706f 6c79 676f 6e20 .58\"/>.<polygon \n+00014460: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+00014470: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+00014480: 706f 696e 7473 3d22 3136 3137 2e33 342c points=\"1617.34,\n+00014490: 2d35 3239 2e30 3620 3136 3237 2e36 332c -529.06 1627.63,\n+000144a0: 2d35 3236 2e35 3520 3136 3138 2e30 312c -526.55 1618.01,\n+000144b0: 2d35 3232 2e31 2031 3631 372e 3334 2c2d -522.1 1617.34,-\n+000144c0: 3532 392e 3036 222f 3e0a 3c2f 673e 0a3c 529.06\"/>.</g>.<\n+000144d0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000144e0: 726f 6d61 6373 5f73 7761 7020 2d2d 3e0a romacs_swap -->.\n+000144f0: 3c67 2069 643d 226e 6f64 6534 3222 2063 <g id=\"node42\" c\n+00014500: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469 lass=\"node\">.<ti\n+00014510: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00014520: 726f 6d61 6373 5f73 7761 703c 2f74 6974 romacs_swap</tit\n+00014530: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64 le>.<g id=\"a_nod\n+00014540: 6534 3222 3e3c 6120 786c 696e 6b3a 6872 e42\"><a xlink:hr\n+00014550: 6566 3d22 6772 6f75 705f 5f6d 6f64 756c ef=\"group__modul\n+00014560: 655f 5f73 7761 702e 7868 746d 6c22 2074 e__swap.xhtml\" t\n+00014570: 6172 6765 743d 225f 746f 7022 2078 6c69 arget=\"_top\" xli\n+00014580: 6e6b 3a74 6974 6c65 3d22 7377 6170 223e nk:title=\"swap\">\n+00014590: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 .<ellipse fill=\"\n+000145a0: 2365 3563 6366 6622 2073 7472 6f6b 653d #e5ccff\" stroke=\n+000145b0: 2262 6c61 636b 2220 6378 3d22 3134 3236 \"black\" cx=\"1426\n+000145c0: 2e35 3622 2063 793d 222d 3430 362e 3636 .56\" cy=\"-406.66\n+000145d0: 2220 7278 3d22 3237 2e36 3522 2072 793d \" rx=\"27.65\" ry=\n+000145e0: 2231 332e 3337 222f 3e0a 3c74 6578 7420 \"13.37\"/>.<text \n+000145f0: 7465 7874 2d61 6e63 686f 723d 226d 6964 text-anchor=\"mid\n+00014600: 646c 6522 2078 3d22 3134 3236 2e35 3622 dle\" x=\"1426.56\"\n+00014610: 2079 3d22 2d34 3034 2e31 3622 2066 6f6e y=\"-404.16\" fon\n+00014620: 742d 6661 6d69 6c79 3d22 4672 6565 5361 t-family=\"FreeSa\n+00014630: 6e73 2220 666f 6e74 2d73 697a 653d 2231 ns\" font-size=\"1\n+00014640: 302e 3030 223e 7377 6170 3c2f 7465 7874 0.00\">swap</text\n+00014650: 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e >.</a>.</g>.</g>\n+00014660: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00014670: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n+00014680: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00014690: 635f 6772 6f6d 6163 735f 7377 6170 202d c_gromacs_swap -\n+000146a0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3132 ->.<g id=\"edge12\n+000146b0: 3122 2063 6c61 7373 3d22 6564 6765 223e 1\" class=\"edge\">\n+000146c0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+000146d0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+000146e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000146f0: 7372 635f 6772 6f6d 6163 735f 7377 6170 src_gromacs_swap\n+00014700: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n+00014710: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n+00014720: 653d 2223 3238 3266 6363 2220 7374 726f e=\"#282fcc\" stro\n+00014730: 6b65 2d64 6173 6861 7272 6179 3d22 352c ke-dasharray=\"5,\n+00014740: 3222 2064 3d22 4d31 3033 382e 3137 2c2d 2\" d=\"M1038.17,-\n+00014750: 3436 352e 3338 4331 3039 392e 3938 2c2d 465.38C1099.98,-\n+00014760: 3435 382e 3633 2031 3234 372e 3138 2c2d 458.63 1247.18,-\n+00014770: 3434 312e 3631 2031 3336 392e 3536 2c2d 441.61 1369.56,-\n+00014780: 3432 302e 3039 2031 3337 372e 3034 2c2d 420.09 1377.04,-\n+00014790: 3431 382e 3738 2031 3338 352e 3032 2c2d 418.78 1385.02,-\n+000147a0: 3431 372e 3137 2031 3339 322e 3537 2c2d 417.17 1392.57,-\n+000147b0: 3431 352e 3534 222f 3e0a 3c70 6f6c 7967 415.54\"/>.<polyg\n+000147c0: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+000147d0: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+000147e0: 6322 2070 6f69 6e74 733d 2231 3339 332e c\" points=\"1393.\n+000147f0: 352c 2d34 3138 2e39 3220 3134 3032 2e35 5,-418.92 1402.5\n+00014800: 322c 2d34 3133 2e33 3620 3133 3932 2c2d 2,-413.36 1392,-\n+00014810: 3431 322e 3039 2031 3339 332e 352c 2d34 412.09 1393.5,-4\n+00014820: 3138 2e39 3222 2f3e 0a3c 2f67 3e0a 3c21 18.92\"/>.</g>.<!\n+00014830: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+00014840: 6f6d 6163 735f 7075 6c6c 696e 6720 2d2d omacs_pulling --\n+00014850: 3e0a 3c67 2069 643d 226e 6f64 6534 3722 >.<g id=\"node47\"\n+00014860: 2063 6c61 7373 3d22 6e6f 6465 223e 0a3c class=\"node\">.<\n+00014870: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00014880: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67 _gromacs_pulling\n+00014890: 3c2f 7469 746c 653e 0a3c 656c 6c69 7073 </title>.<ellips\n+000148a0: 6520 6669 6c6c 3d22 2362 6662 6662 6622 e fill=\"#bfbfbf\"\n+000148b0: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+000148c0: 6378 3d22 3134 3633 2e35 3622 2063 793d cx=\"1463.56\" cy=\n+000148d0: 222d 3334 332e 3739 2220 7278 3d22 3331 \"-343.79\" rx=\"31\n+000148e0: 2e32 3322 2072 793d 2231 332e 3337 222f .23\" ry=\"13.37\"/\n+000148f0: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63 >.<text text-anc\n+00014900: 686f 723d 226d 6964 646c 6522 2078 3d22 hor=\"middle\" x=\"\n+00014910: 3134 3633 2e35 3622 2079 3d22 2d33 3431 1463.56\" y=\"-341\n+00014920: 2e32 3922 2066 6f6e 742d 6661 6d69 6c79 .29\" font-family\n+00014930: 3d22 4672 6565 5361 6e73 2220 666f 6e74 =\"FreeSans\" font\n+00014940: 2d73 697a 653d 2231 302e 3030 223e 7075 -size=\"10.00\">pu\n+00014950: 6c6c 696e 673c 2f74 6578 743e 0a3c 2f67 lling</text>.</g\n+00014960: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00014970: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n+00014980: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00014990: 7263 5f67 726f 6d61 6373 5f70 756c 6c69 rc_gromacs_pulli\n+000149a0: 6e67 202d 2d3e 0a3c 6720 6964 3d22 6564 ng -->.<g id=\"ed\n+000149b0: 6765 3132 3022 2063 6c61 7373 3d22 6564 ge120\" class=\"ed\n+000149c0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+000149d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+000149e0: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n+000149f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00014a00: 7075 6c6c 696e 673c 2f74 6974 6c65 3e0a pulling</title>.\n+00014a10: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n+00014a20: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+00014a30: 6322 2073 7472 6f6b 652d 6461 7368 6172 c\" stroke-dashar\n+00014a40: 7261 793d 2235 2c32 2220 643d 224d 3130 ray=\"5,2\" d=\"M10\n+00014a50: 3333 2e35 362c 2d34 3631 2e35 4331 3037 33.56,-461.5C107\n+00014a60: 382e 3732 2c2d 3434 382e 3739 2031 3136 8.72,-448.79 116\n+00014a70: 392e 3838 2c2d 3432 322e 3939 2031 3137 9.88,-422.99 117\n+00014a80: 362e 3536 2c2d 3432 302e 3039 2031 3139 6.56,-420.09 119\n+00014a90: 372e 3933 2c2d 3431 302e 3832 2031 3139 7.93,-410.82 119\n+00014aa0: 392e 3832 2c2d 3430 312e 3620 3132 3231 9.82,-401.6 1221\n+00014ab0: 2e35 362c 2d33 3933 2e32 3220 3132 3839 .56,-393.22 1289\n+00014ac0: 2e37 322c 2d33 3636 2e39 3520 3133 3734 .72,-366.95 1374\n+00014ad0: 2e34 332c 2d33 3534 2e31 3920 3134 3233 .43,-354.19 1423\n+00014ae0: 2e34 312c 2d33 3438 2e35 3922 2f3e 0a3c .41,-348.59\"/>.<\n+00014af0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00014b00: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00014b10: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00014b20: 3134 3234 2e30 342c 2d33 3532 2e30 3520 1424.04,-352.05 \n+00014b30: 3134 3333 2e36 2c2d 3334 372e 3437 2031 1433.6,-347.47 1\n+00014b40: 3432 332e 3237 2c2d 3334 352e 3039 2031 423.27,-345.09 1\n+00014b50: 3432 342e 3034 2c2d 3335 322e 3035 222f 424.04,-352.05\"/\n+00014b60: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00014b70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00014b80: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n+00014b90: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00014ba0: 7261 6e64 6f6d 202d 2d3e 0a3c 6720 6964 random -->.<g id\n+00014bb0: 3d22 6564 6765 3131 3022 2063 6c61 7373 =\"edge110\" class\n+00014bc0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+00014bd0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00014be0: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n+00014bf0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00014c00: 6163 735f 7261 6e64 6f6d 3c2f 7469 746c acs_random</titl\n+00014c10: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00014c20: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61 one\" stroke=\"bla\n+00014c30: 636b 2220 7374 726f 6b65 2d64 6173 6861 ck\" stroke-dasha\n+00014c40: 7272 6179 3d22 352c 3222 2064 3d22 4d31 rray=\"5,2\" d=\"M1\n+00014c50: 3033 342e 3036 2c2d 3436 312e 3737 4331 034.06,-461.77C1\n+00014c60: 3036 312e 3538 2c2d 3435 332e 3931 2031 061.58,-453.91 1\n+00014c70: 3130 362e 3233 2c2d 3433 392e 3438 2031 106.23,-439.48 1\n+00014c80: 3134 312e 3536 2c2d 3432 302e 3039 2031 141.56,-420.09 1\n+00014c90: 3135 382e 3735 2c2d 3431 302e 3635 2031 158.75,-410.65 1\n+00014ca0: 3135 392e 3235 2c2d 3430 322e 3434 2031 159.25,-402.44 1\n+00014cb0: 3137 362e 3536 2c2d 3339 332e 3232 2031 176.56,-393.22 1\n+00014cc0: 3434 362e 3433 2c2d 3234 392e 3433 2031 446.43,-249.43 1\n+00014cd0: 3831 352e 3032 2c2d 3138 312e 3839 2031 815.02,-181.89 1\n+00014ce0: 3933 372e 3834 2c2d 3136 322e 3338 222f 937.84,-162.38\"/\n+00014cf0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+00014d00: 2262 6c61 636b 2220 7374 726f 6b65 3d22 \"black\" stroke=\"\n+00014d10: 626c 6163 6b22 2070 6f69 6e74 733d 2231 black\" points=\"1\n+00014d20: 3933 382e 3631 2c2d 3136 352e 3820 3139 938.61,-165.8 19\n+00014d30: 3437 2e39 342c 2d31 3630 2e38 2031 3933 47.94,-160.8 193\n+00014d40: 372e 3532 2c2d 3135 382e 3839 2031 3933 7.52,-158.89 193\n+00014d50: 382e 3631 2c2d 3136 352e 3822 2f3e 0a3c 8.61,-165.8\"/>.<\n+00014d60: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+00014d70: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+00014d80: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n+00014d90: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n+00014da0: 6c69 6564 5f66 6f72 6365 735f 6177 6820 lied_forces_awh \n+00014db0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+00014dc0: 3135 2220 636c 6173 733d 2265 6467 6522 15\" class=\"edge\"\n+00014dd0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00014de0: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+00014df0: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n+00014e00: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n+00014e10: 6c69 6564 5f66 6f72 6365 735f 6177 683c lied_forces_awh<\n+00014e20: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00014e30: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00014e40: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00014e50: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+00014e60: 2220 643d 224d 3130 3339 2e36 332c 2d34 \" d=\"M1039.63,-4\n+00014e70: 3730 2e32 3743 3131 3339 2e39 342c 2d34 70.27C1139.94,-4\n+00014e80: 3639 2e39 3320 3134 3633 2e38 352c 2d34 69.93 1463.85,-4\n+00014e90: 3732 2e37 3520 3137 3236 2e35 362c 2d35 72.75 1726.56,-5\n+00014ea0: 3138 2e39 3620 3138 3131 2e37 372c 2d35 18.96 1811.77,-5\n+00014eb0: 3333 2e39 3520 3139 3038 2e38 392c 2d35 33.95 1908.89,-5\n+00014ec0: 3636 2e31 3320 3139 3537 2e30 392c 2d35 66.13 1957.09,-5\n+00014ed0: 3833 2e31 3622 2f3e 0a3c 706f 6c79 676f 83.16\"/>.<polygo\n+00014ee0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n+00014ef0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00014f00: 2220 706f 696e 7473 3d22 3139 3536 2e30 \" points=\"1956.0\n+00014f10: 312c 2d35 3836 2e34 3920 3139 3636 2e36 1,-586.49 1966.6\n+00014f20: 312c 2d35 3836 2e35 3520 3139 3538 2e33 1,-586.55 1958.3\n+00014f30: 362c 2d35 3739 2e39 2031 3935 362e 3031 6,-579.9 1956.01\n+00014f40: 2c2d 3538 362e 3439 222f 3e0a 3c2f 673e ,-586.49\"/>.</g>\n+00014f50: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00014f60: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n+00014f70: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n+00014f80: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00014f90: 735f 6e62 6e78 6d20 2d2d 3e0a 3c67 2069 s_nbnxm -->.<g i\n+00014fa0: 643d 2265 6467 6531 3333 2220 636c 6173 d=\"edge133\" clas\n+00014fb0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00014fc0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00014fd0: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n+00014fe0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00014ff0: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e _src_gromacs_nbn\n+00015000: 786d 3c2f 7469 746c 653e 0a3c 7061 7468 xm</title>.<path\n+00015010: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n+00015020: 6f6b 653d 2272 6564 2220 643d 224d 3633 oke=\"red\" d=\"M63\n+00015030: 312e 3431 2c2d 3136 322e 3832 4336 3032 1.41,-162.82C602\n+00015040: 2e37 352c 2d31 3639 2e31 2035 3635 2e37 .75,-169.1 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6b65 3d22 7265 6422 2070 \" stroke=\"red\" p\n+00015140: 6f69 6e74 733d 2235 3233 2e33 322c 2d39 oints=\"523.32,-9\n+00015150: 3535 2e31 3220 3533 332c 2d39 3539 2e34 55.12 533,-959.4\n+00015160: 3320 3532 382e 3132 2c2d 3935 302e 3032 3 528.12,-950.02\n+00015170: 2035 3233 2e33 322c 2d39 3535 2e31 3222 523.32,-955.12\"\n+00015180: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00015190: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000151a0: 6c69 7374 6564 5f66 6f72 6365 7326 2334 listed_forces\n+000151b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000151c0: 5f67 726f 6d61 6373 5f68 6172 6477 6172 _gromacs_hardwar\n+000151d0: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467 e -->.<g id=\"edg\n+000151e0: 6531 3331 2220 636c 6173 733d 2265 6467 e131\" class=\"edg\n+000151f0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00015200: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n+00015210: 7374 6564 5f66 6f72 6365 7326 2334 353b sted_forces-\n+00015220: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00015230: 726f 6d61 6373 5f68 6172 6477 6172 653c romacs_hardware<\n+00015240: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00015250: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00015260: 3d22 7265 6422 2064 3d22 4d36 3339 2e38 =\"red\" d=\"M639.8\n+00015270: 382c 2d31 3435 2e30 3643 3539 392e 3234 8,-145.06C599.24\n+00015280: 2c2d 3133 342e 3037 2035 3331 2e30 352c ,-134.07 531.05,\n+00015290: 2d31 3135 2e36 3220 3438 382c 2d31 3033 -115.62 488,-103\n+000152a0: 2e39 3822 2f3e 0a3c 706f 6c79 676f 6e20 .98\"/>.<polygon \n+000152b0: 6669 6c6c 3d22 7265 6422 2073 7472 6f6b fill=\"red\" strok\n+000152c0: 653d 2272 6564 2220 706f 696e 7473 3d22 e=\"red\" points=\"\n+000152d0: 3438 382e 3733 2c2d 3130 302e 3535 2034 488.73,-100.55 4\n+000152e0: 3738 2e31 362c 2d31 3031 2e33 3120 3438 78.16,-101.31 48\n+000152f0: 362e 392c 2d31 3037 2e33 2034 3838 2e37 6.9,-107.3 488.7\n+00015300: 332c 2d31 3030 2e35 3522 2f3e 0a3c 2f67 3,-100.55\"/>.</g\n+00015310: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00015320: 635f 6772 6f6d 6163 735f 6c69 7374 6564 c_gromacs_listed\n+00015330: 5f66 6f72 6365 7326 2334 353b 2667 743b _forces->\n+00015340: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00015350: 6373 5f6d 6474 7970 6573 202d 2d3e 0a3c cs_mdtypes -->.<\n+00015360: 6720 6964 3d22 6564 6765 3132 3822 2063 g id=\"edge128\" c\n+00015370: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00015380: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00015390: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+000153a0: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n+000153b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000153c0: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes</title>.\n+000153d0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n+000153e0: 2220 7374 726f 6b65 3d22 7265 6422 2064 \" stroke=\"red\" d\n+000153f0: 3d22 4d36 3430 2e37 342c 2d31 3635 2e34 =\"M640.74,-165.4\n+00015400: 3943 3631 372e 3435 2c2d 3137 332e 3235 9C617.45,-173.25\n+00015410: 2035 3836 2e34 2c2d 3138 362e 3036 2035 586.4,-186.06 5\n+00015420: 3633 2e35 362c 2d32 3034 2e36 3120 3533 63.56,-204.61 53\n+00015430: 362e 3839 2c2d 3232 362e 3237 2035 3330 6.89,-226.27 530\n+00015440: 2e36 312c 2d32 3335 2e33 2035 3138 2e35 .61,-235.3 518.5\n+00015450: 362c 2d32 3637 2e34 3820 3434 352e 3736 6,-267.48 445.76\n+00015460: 2c2d 3436 312e 3936 2034 3736 2e38 342c ,-461.96 476.84,\n+00015470: 2d35 3334 2e39 3720 3533 342e 3536 2c2d -534.97 534.56,-\n+00015480: 3733 342e 3434 2035 3533 2e32 342c 2d37 734.44 553.24,-7\n+00015490: 3939 2035 3539 2e37 382c 2d38 3237 2e35 99 559.78,-827.5\n+000154a0: 3920 3631 382e 3536 2c2d 3836 302e 3138 9 618.56,-860.18\n+000154b0: 2036 3838 2e34 392c 2d38 3938 2e39 3520 688.49,-898.95 \n+000154c0: 3738 322e 3932 2c2d 3930 372e 3637 2038 782.92,-907.67 8\n+000154d0: 3339 2e32 382c 2d39 3039 2e31 222f 3e0a 39.28,-909.1\"/>.\n+000154e0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 <polygon fill=\"r\n+000154f0: 6564 2220 7374 726f 6b65 3d22 7265 6422 ed\" stroke=\"red\"\n+00015500: 2070 6f69 6e74 733d 2238 3339 2e32 392c points=\"839.29,\n+00015510: 2d39 3132 2e36 2038 3439 2e33 352c 2d39 -912.6 849.35,-9\n+00015520: 3039 2e32 3820 3833 392e 3432 2c2d 3930 09.28 839.42,-90\n+00015530: 352e 3620 3833 392e 3239 2c2d 3931 322e 5.6 839.29,-912.\n+00015540: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6\"/>.</g>.<!-- m\n+00015550: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00015560: 735f 6c69 7374 6564 5f66 6f72 6365 7326 s_listed_forces&\n+00015570: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00015580: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n+00015590: 7469 6c73 202d 2d3e 0a3c 6720 6964 3d22 tils -->.<g id=\"\n+000155a0: 6564 6765 3133 3022 2063 6c61 7373 3d22 edge130\" class=\"\n+000155b0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+000155c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000155d0: 5f6c 6973 7465 645f 666f 7263 6573 2623 _listed_forces&#\n+000155e0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000155f0: 635f 6772 6f6d 6163 735f 6770 755f 7574 c_gromacs_gpu_ut\n+00015600: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174 ils</title>.<pat\n+00015610: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n+00015620: 726f 6b65 3d22 7265 6422 2064 3d22 4d36 roke=\"red\" d=\"M6\n+00015630: 3238 2e35 322c 2d31 3631 2e36 3143 3535 28.52,-161.61C55\n+00015640: 372e 3838 2c2d 3137 312e 3936 2034 3139 7.88,-171.96 419\n+00015650: 2e32 332c 2d31 3939 2e38 3420 3332 332e .23,-199.84 323.\n+00015660: 3536 2c2d 3236 372e 3438 2032 3432 2e38 56,-267.48 242.8\n+00015670: 362c 2d33 3234 2e35 3320 3232 382e 3536 6,-324.53 228.56\n+00015680: 2c2d 3336 392e 3720 3232 382e 3536 2c2d ,-369.7 228.56,-\n+00015690: 3436 382e 3533 2032 3238 2e35 362c 2d35 468.53 228.56,-5\n+000156a0: 3333 2e34 2032 3238 2e35 362c 2d35 3333 33.4 228.56,-533\n+000156b0: 2e34 2032 3238 2e35 362c 2d35 3333 2e34 .4 228.56,-533.4\n+000156c0: 2032 3238 2e35 362c 2d36 3136 2e38 3120 228.56,-616.81 \n+000156d0: 3230 382e 3536 2c2d 3633 362e 3539 2032 208.56,-636.59 2\n+000156e0: 3038 2e35 362c 2d37 3230 2e30 3120 3230 08.56,-720.01 20\n+000156f0: 382e 3536 2c2d 3931 302e 3632 2032 3038 8.56,-910.62 208\n+00015700: 2e35 362c 2d39 3130 2e36 3220 3230 382e .56,-910.62 208.\n+00015710: 3536 2c2d 3931 302e 3632 2032 3038 2e35 56,-910.62 208.5\n+00015720: 362c 2d39 3639 2e36 3620 3237 382e 3239 6,-969.66 278.29\n+00015730: 2c2d 3130 3035 2e33 3720 3332 332e 362c ,-1005.37 323.6,\n+00015740: 2d31 3032 322e 3335 222f 3e0a 3c70 6f6c -1022.35\"/>.<pol\n+00015750: 7967 6f6e 2066 696c 6c3d 2272 6564 2220 ygon fill=\"red\" \n+00015760: 7374 726f 6b65 3d22 7265 6422 2070 6f69 stroke=\"red\" poi\n+00015770: 6e74 733d 2233 3232 2e35 352c 2d31 3032 nts=\"322.55,-102\n+00015780: 352e 3639 2033 3333 2e31 342c 2d31 3032 5.69 333.14,-102\n+00015790: 352e 3739 2033 3234 2e39 322c 2d31 3031 5.79 324.92,-101\n+000157a0: 392e 3131 2033 3232 2e35 352c 2d31 3032 9.11 322.55,-102\n+000157b0: 352e 3639 222f 3e0a 3c2f 673e 0a3c 212d 5.69\"/>.</g>.<!-\n+000157c0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+000157d0: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n+000157e0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+000157f0: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n+00015800: 6d64 6563 202d 2d3e 0a3c 6720 6964 3d22 mdec -->.<g id=\"\n+00015810: 6564 6765 3132 3522 2063 6c61 7373 3d22 edge125\" class=\"\n+00015820: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00015830: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00015840: 5f6c 6973 7465 645f 666f 7263 6573 2623 _listed_forces&#\n+00015850: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00015860: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n+00015870: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n+00015880: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n+00015890: 653d 2223 3238 3266 6363 2220 7374 726f e=\"#282fcc\" stro\n+000158a0: 6b65 2d64 6173 6861 7272 6179 3d22 352c ke-dasharray=\"5,\n+000158b0: 3222 2064 3d22 4d37 3034 2e31 342c 2d31 2\" d=\"M704.14,-1\n+000158c0: 3636 2e31 3843 3736 362e 3739 2c2d 3138 66.18C766.79,-18\n+000158d0: 382e 3331 2039 3038 2e35 392c 2d32 3431 8.31 908.59,-241\n+000158e0: 2e34 3220 3937 322e 3032 2c2d 3236 362e .42 972.02,-266.\n+000158f0: 3434 222f 3e0a 3c70 6f6c 7967 6f6e 2066 44\"/>.<polygon f\n+00015900: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n+00015910: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n+00015920: 6f69 6e74 733d 2239 3730 2e39 322c 2d32 oints=\"970.92,-2\n+00015930: 3639 2e37 3720 3938 312e 3531 2c2d 3237 69.77 981.51,-27\n+00015940: 302e 3231 2039 3733 2e35 312c 2d32 3633 0.21 973.51,-263\n+00015950: 2e32 3620 3937 302e 3932 2c2d 3236 392e .26 970.92,-269.\n+00015960: 3737 222f 3e0a 3c2f 673e 0a3c 212d 2d20 77\"/>.</g>.<!-- \n+00015970: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00015980: 6373 5f6c 6973 7465 645f 666f 7263 6573 cs_listed_forces\n+00015990: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000159a0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+000159b0: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467 b -->.<g id=\"edg\n+000159c0: 6531 3332 2220 636c 6173 733d 2265 6467 e132\" class=\"edg\n+000159d0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+000159e0: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n+000159f0: 7374 6564 5f66 6f72 6365 7326 2334 353b sted_forces-\n+00015a00: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00015a10: 726f 6d61 6373 5f6d 646c 6962 3c2f 7469 romacs_mdlib</ti\n+00015a20: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00015a30: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00015a40: 6266 6266 6266 2220 643d 224d 3731 352e bfbfbf\" d=\"M715.\n+00015a50: 3032 2c2d 3136 3343 3738 302e 3731 2c2d 02,-163C780.71,-\n+00015a60: 3137 342e 3536 2039 3037 2e32 332c 2d31 174.56 907.23,-1\n+00015a70: 3937 2e38 3920 3936 382e 3632 2c2d 3230 97.89 968.62,-20\n+00015a80: 392e 3736 222f 3e0a 3c70 6f6c 7967 6f6e 9.76\"/>.<polygon\n+00015a90: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+00015aa0: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n+00015ab0: 2070 6f69 6e74 733d 2239 3638 2e31 312c points=\"968.11,\n+00015ac0: 2d32 3133 2e32 3220 3937 382e 3539 2c2d -213.22 978.59,-\n+00015ad0: 3231 312e 3720 3936 392e 3435 2c2d 3230 211.7 969.45,-20\n+00015ae0: 362e 3335 2039 3638 2e31 312c 2d32 3133 6.35 968.11,-213\n+00015af0: 2e32 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d .22\"/>.</g>.<!--\n+00015b00: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+00015b10: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n+00015b20: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00015b30: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00015b40: 6c69 6220 2d2d 3e0a 3c67 2069 643d 2265 lib -->.<g id=\"e\n+00015b50: 6467 6531 3236 2220 636c 6173 733d 2265 dge126\" class=\"e\n+00015b60: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00015b70: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00015b80: 6c69 7374 6564 5f66 6f72 6365 7326 2334 listed_forces\n+00015b90: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00015ba0: 5f67 726f 6d61 6373 5f67 6d78 6c69 623c _gromacs_gmxlib<\n+00015bb0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00015bc0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00015bd0: 3d22 2362 6662 6662 6622 2064 3d22 4d36 =\"#bfbfbf\" d=\"M6\n+00015be0: 3533 2e30 312c 2d31 3637 2e36 3643 3630 53.01,-167.66C60\n+00015bf0: 342e 3035 2c2d 3139 362e 3632 2034 3837 4.05,-196.62 487\n+00015c00: 2e32 332c 2d32 3736 2e31 3520 3532 332e .23,-276.15 523.\n+00015c10: 3536 2c2d 3335 372e 3232 2036 3236 2e35 56,-357.22 626.5\n+00015c20: 372c 2d35 3837 2e30 3920 3732 362e 3334 7,-587.09 726.34\n+00015c30: 2c2d 3631 322e 3136 2039 3436 2e35 362c ,-612.16 946.56,\n+00015c40: 2d37 3334 2e34 3420 3938 362e 3432 2c2d -734.44 986.42,-\n+00015c50: 3735 362e 3537 2031 3033 372e 3433 2c2d 756.57 1037.43,-\n+00015c60: 3736 392e 3533 2031 3037 322e 3131 2c2d 769.53 1072.11,-\n+00015c70: 3737 362e 3339 222f 3e0a 3c70 6f6c 7967 776.39\"/>.<polyg\n+00015c80: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n+00015c90: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+00015ca0: 6622 2070 6f69 6e74 733d 2231 3037 312e f\" points=\"1071.\n+00015cb0: 3835 2c2d 3737 392e 3920 3130 3832 2e33 85,-779.9 1082.3\n+00015cc0: 322c 2d37 3738 2e33 3320 3130 3733 2e31 2,-778.33 1073.1\n+00015cd0: 352c 2d37 3733 2e30 3320 3130 3731 2e38 5,-773.03 1071.8\n+00015ce0: 352c 2d37 3739 2e39 222f 3e0a 3c2f 673e 5,-779.9\"/>.</g>\n+00015cf0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00015d00: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n+00015d10: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n+00015d20: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00015d30: 735f 6d64 7275 6e75 7469 6c69 7479 202d s_mdrunutility -\n+00015d40: 2d3e 0a3c 6720 6964 3d22 6564 6765 3132 ->.<g id=\"edge12\n+00015d50: 3722 2063 6c61 7373 3d22 6564 6765 223e 7\" class=\"edge\">\n+00015d60: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00015d70: 7263 5f67 726f 6d61 6373 5f6c 6973 7465 rc_gromacs_liste\n+00015d80: 645f 666f 7263 6573 2623 3435 3b26 6774 d_forces->\n+00015d90: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00015da0: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n+00015db0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n+00015dc0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n+00015dd0: 653d 2223 3238 3266 6363 2220 7374 726f e=\"#282fcc\" stro\n+00015de0: 6b65 2d64 6173 6861 7272 6179 3d22 352c ke-dasharray=\"5,\n+00015df0: 3222 2064 3d22 4d37 3230 2e34 362c 2d31 2\" d=\"M720.46,-1\n+00015e00: 3630 2e34 3143 3735 302e 3236 2c2d 3136 60.41C750.26,-16\n+00015e10: 3320 3738 392e 3635 2c2d 3136 362e 3237 3 789.65,-166.27\n+00015e20: 2038 3234 2e35 362c 2d31 3638 2e36 3120 824.56,-168.61 \n+00015e30: 3930 312e 362c 2d31 3733 2e37 3820 3134 901.6,-173.78 14\n+00015e40: 3438 2e33 382c 2d31 3732 2e34 2031 3531 48.38,-172.4 151\n+00015e50: 382e 3536 2c2d 3230 342e 3631 2031 3632 8.56,-204.61 162\n+00015e60: 302e 3539 2c2d 3235 312e 3434 2031 3634 0.59,-251.44 164\n+00015e70: 372e 3536 2c2d 3238 372e 3935 2031 3638 7.56,-287.95 168\n+00015e80: 362e 3536 2c2d 3339 332e 3232 2031 3730 6.56,-393.22 170\n+00015e90: 302e 3939 2c2d 3433 322e 3137 2031 3638 0.99,-432.17 168\n+00015ea0: 382e 382c 2d34 3831 2e31 3720 3136 3739 8.8,-481.17 1679\n+00015eb0: 2e32 352c 2d35 3039 2e31 3222 2f3e 0a3c .25,-509.12\"/>.<\n+00015ec0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00015ed0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00015ee0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00015ef0: 3136 3735 2e38 392c 2d35 3038 2e31 3420 1675.89,-508.14 \n+00015f00: 3136 3735 2e37 382c 2d35 3138 2e37 3420 1675.78,-518.74 \n+00015f10: 3136 3832 2e34 372c 2d35 3130 2e35 3220 1682.47,-510.52 \n+00015f20: 3136 3735 2e38 392c 2d35 3038 2e31 3422 1675.89,-508.14\"\n+00015f30: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00015f40: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00015f50: 7461 626c 6573 202d 2d3e 0a3c 6720 6964 tables -->.<g id\n+00015f60: 3d22 6e6f 6465 3431 2220 636c 6173 733d =\"node41\" class=\n+00015f70: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d \"node\">.<title>m\n+00015f80: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00015f90: 735f 7461 626c 6573 3c2f 7469 746c 653e s_tables</title>\n+00015fa0: 0a3c 6720 6964 3d22 615f 6e6f 6465 3431 .<g id=\"a_node41\n+00015fb0: 223e 3c61 2078 6c69 6e6b 3a68 7265 663d \"><a xlink:href=\n+00015fc0: 2267 726f 7570 5f5f 6d6f 6475 6c65 5f5f \"group__module__\n+00015fd0: 7461 626c 6573 2e78 6874 6d6c 2220 7461 tables.xhtml\" ta\n+00015fe0: 7267 6574 3d22 5f74 6f70 2220 786c 696e rget=\"_top\" xlin\n+00015ff0: 6b3a 7469 746c 653d 2274 6162 6c65 7322 k:title=\"tables\"\n+00016000: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d >.<ellipse fill=\n+00016010: 2223 6666 6534 6363 2220 7374 726f 6b65 \"#ffe4cc\" stroke\n+00016020: 3d22 626c 6163 6b22 2063 783d 2239 3133 =\"black\" cx=\"913\n+00016030: 2e35 3622 2063 793d 222d 3932 2e33 3122 .56\" cy=\"-92.31\"\n+00016040: 2072 783d 2233 302e 3331 2220 7279 3d22 rx=\"30.31\" ry=\"\n+00016050: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074 13.37\"/>.<text t\n+00016060: 6578 742d 616e 6368 6f72 3d22 6d69 6464 ext-anchor=\"midd\n+00016070: 6c65 2220 783d 2239 3133 2e35 3622 2079 le\" x=\"913.56\" y\n+00016080: 3d22 2d38 392e 3831 2220 666f 6e74 2d66 =\"-89.81\" font-f\n+00016090: 616d 696c 793d 2246 7265 6553 616e 7322 amily=\"FreeSans\"\n+000160a0: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30 font-size=\"10.0\n+000160b0: 3022 3e74 6162 6c65 733c 2f74 6578 743e 0\">tables</text>\n+000160c0: 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a .</a>.</g>.</g>.\n+000160d0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+000160e0: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n+000160f0: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n+00016100: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016110: 5f74 6162 6c65 7320 2d2d 3e0a 3c67 2069 _tables -->.<g i\n+00016120: 643d 2265 6467 6531 3239 2220 636c 6173 d=\"edge129\" clas\n+00016130: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00016140: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00016150: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n+00016160: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00016170: 5f73 7263 5f67 726f 6d61 6373 5f74 6162 _src_gromacs_tab\n+00016180: 6c65 733c 2f74 6974 6c65 3e0a 3c70 6174 les</title>.<pat\n+00016190: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n+000161a0: 726f 6b65 3d22 2332 3832 6663 6322 2073 roke=\"#282fcc\" s\n+000161b0: 7472 6f6b 652d 6461 7368 6172 7261 793d troke-dasharray=\n+000161c0: 2235 2c32 2220 643d 224d 3730 382e 3436 \"5,2\" d=\"M708.46\n+000161d0: 2c2d 3134 352e 3332 4337 3533 2e39 2c2d ,-145.32C753.9,-\n+000161e0: 3133 332e 3820 3833 322e 392c 2d31 3133 133.8 832.9,-113\n+000161f0: 2e37 3620 3837 382e 3435 2c2d 3130 322e .76 878.45,-102.\n+00016200: 3231 222f 3e0a 3c70 6f6c 7967 6f6e 2066 21\"/>.<polygon f\n+00016210: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n+00016220: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n+00016230: 6f69 6e74 733d 2238 3739 2e33 352c 2d31 oints=\"879.35,-1\n+00016240: 3035 2e35 3920 3838 382e 3138 2c2d 3939 05.59 888.18,-99\n+00016250: 2e37 3420 3837 372e 3633 2c2d 3938 2e38 .74 877.63,-98.8\n+00016260: 3120 3837 392e 3335 2c2d 3130 352e 3539 1 879.35,-105.59\n+00016270: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+00016280: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016290: 5f6d 696d 6963 2623 3435 3b26 6774 3b6d _mimic->m\n+000162a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000162b0: 735f 6d64 6c69 6220 2d2d 3e0a 3c67 2069 s_mdlib -->.<g i\n+000162c0: 643d 2265 6467 6531 3334 2220 636c 6173 d=\"edge134\" clas\n+000162d0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+000162e0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+000162f0: 6163 735f 6d69 6d69 6326 2334 353b 2667 acs_mimic-&g\n+00016300: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00016310: 6d61 6373 5f6d 646c 6962 3c2f 7469 746c macs_mdlib</titl\n+00016320: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00016330: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+00016340: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+00016350: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+00016360: 4d31 3131 302e 3939 2c2d 3237 302e 3534 M1110.99,-270.54\n+00016370: 4331 3038 392e 3834 2c2d 3236 302e 3420 C1089.84,-260.4 \n+00016380: 3130 3535 2e39 312c 2d32 3434 2e31 3420 1055.91,-244.14 \n+00016390: 3130 3331 2e38 352c 2d32 3332 2e36 222f 1031.85,-232.6\"/\n+000163a0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+000163b0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+000163c0: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n+000163d0: 733d 2231 3033 332e 3036 2c2d 3232 392e s=\"1033.06,-229.\n+000163e0: 3320 3130 3232 2e35 322c 2d32 3238 2e31 3 1022.52,-228.1\n+000163f0: 3320 3130 3330 2e30 332c 2d32 3335 2e36 3 1030.03,-235.6\n+00016400: 3120 3130 3333 2e30 362c 2d32 3239 2e33 1 1033.06,-229.3\n+00016410: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+00016420: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016430: 5f65 7761 6c64 2623 3435 3b26 6774 3b6d _ewald->m\n+00016440: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00016450: 735f 6e62 6e78 6d20 2d2d 3e0a 3c67 2069 s_nbnxm -->.<g i\n+00016460: 643d 2265 6467 6531 3431 2220 636c 6173 d=\"edge141\" clas\n+00016470: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00016480: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00016490: 6163 735f 6577 616c 6426 2334 353b 2667 acs_ewald-&g\n+000164a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000164b0: 6d61 6373 5f6e 626e 786d 3c2f 7469 746c macs_nbnxm</titl\n+000164c0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+000164d0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+000164e0: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+000164f0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+00016500: 4d38 3738 2e30 382c 2d38 3539 2e35 3643 M878.08,-859.56C\n+00016510: 3835 382e 3732 2c2d 3837 362e 3139 2038 858.72,-876.19 8\n+00016520: 3135 2e31 352c 2d39 3036 2e33 3620 3737 15.15,-906.36 77\n+00016530: 332e 3536 2c2d 3932 332e 3035 2037 3130 3.56,-923.05 710\n+00016540: 2e30 322c 2d39 3438 2e35 3520 3633 302e .02,-948.55 630.\n+00016550: 3634 2c2d 3936 312e 3639 2035 3833 2c2d 64,-961.69 583,-\n+00016560: 3936 372e 3534 222f 3e0a 3c70 6f6c 7967 967.54\"/>.<polyg\n+00016570: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+00016580: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+00016590: 6322 2070 6f69 6e74 733d 2235 3832 2e35 c\" points=\"582.5\n+000165a0: 362c 2d39 3634 2e30 3720 3537 332e 3034 6,-964.07 573.04\n+000165b0: 2c2d 3936 382e 3732 2035 3833 2e33 382c ,-968.72 583.38,\n+000165c0: 2d39 3731 2e30 3220 3538 322e 3536 2c2d -971.02 582.56,-\n+000165d0: 3936 342e 3037 222f 3e0a 3c2f 673e 0a3c 964.07\"/>.</g>.<\n+000165e0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000165f0: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n+00016600: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00016610: 6772 6f6d 6163 735f 6861 7264 7761 7265 gromacs_hardware\n+00016620: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+00016630: 3134 3222 2063 6c61 7373 3d22 6564 6765 142\" class=\"edge\n+00016640: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00016650: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n+00016660: 6c64 2623 3435 3b26 6774 3b6d 6f64 756c ld->modul\n+00016670: 655f 7372 635f 6772 6f6d 6163 735f 6861 e_src_gromacs_ha\n+00016680: 7264 7761 7265 3c2f 7469 746c 653e 0a3c rdware</title>.<\n+00016690: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000166a0: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n+000166b0: 224d 3836 362e 3231 2c2d 3833 372e 3338 \"M866.21,-837.38\n+000166c0: 4338 3435 2e39 362c 2d38 3238 2e39 3120 C845.96,-828.91 \n+000166d0: 3831 352e 3231 2c2d 3831 342e 3632 2037 815.21,-814.62 7\n+000166e0: 3931 2e35 362c 2d37 3937 2e33 3120 3536 91.56,-797.31 56\n+000166f0: 342e 3431 2c2d 3633 312e 3132 2033 3438 4.41,-631.12 348\n+00016700: 2e35 362c 2d36 3236 2e32 3420 3334 382e .56,-626.24 348.\n+00016710: 3536 2c2d 3334 342e 3739 2033 3438 2e35 56,-344.79 348.5\n+00016720: 362c 2d33 3434 2e37 3920 3334 382e 3536 6,-344.79 348.56\n+00016730: 2c2d 3334 342e 3739 2033 3438 2e35 362c ,-344.79 348.56,\n+00016740: 2d32 3137 2e30 3520 3334 382e 3536 2c2d -217.05 348.56,-\n+00016750: 3137 302e 3239 2033 3932 2e32 392c 2d31 170.29 392.29,-1\n+00016760: 3331 2e32 3620 3432 312e 3931 2c2d 3131 31.26 421.91,-11\n+00016770: 302e 3138 222f 3e0a 3c70 6f6c 7967 6f6e 0.18\"/>.<polygon\n+00016780: 2066 696c 6c3d 2272 6564 2220 7374 726f fill=\"red\" stro\n+00016790: 6b65 3d22 7265 6422 2070 6f69 6e74 733d ke=\"red\" points=\n+000167a0: 2234 3233 2e39 362c 2d31 3133 2e30 3320 \"423.96,-113.03 \n+000167b0: 3433 302e 3232 2c2d 3130 342e 3438 2034 430.22,-104.48 4\n+000167c0: 3139 2e39 392c 2d31 3037 2e32 3620 3432 19.99,-107.26 42\n+000167d0: 332e 3936 2c2d 3131 332e 3033 222f 3e0a 3.96,-113.03\"/>.\n+000167e0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+000167f0: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n+00016800: 6c64 2623 3435 3b26 6774 3b6d 6f64 756c ld->modul\n+00016810: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00016820: 7479 7065 7320 2d2d 3e0a 3c67 2069 643d types -->.<g id=\n+00016830: 2265 6467 6531 3430 2220 636c 6173 733d \"edge140\" class=\n+00016840: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+00016850: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00016860: 735f 6577 616c 6426 2334 353b 2667 743b s_ewald->\n+00016870: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00016880: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n+00016890: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+000168a0: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n+000168b0: 2220 643d 224d 3839 332e 3131 2c2d 3836 \" d=\"M893.11,-86\n+000168c0: 302e 3035 4338 3934 2e32 352c 2d38 3637 0.05C894.25,-867\n+000168d0: 2e35 3520 3839 342e 3538 2c2d 3837 372e .55 894.58,-877.\n+000168e0: 3337 2038 3934 2e31 2c2d 3838 362e 3231 37 894.1,-886.21\n+000168f0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+00016900: 6c3d 2272 6564 2220 7374 726f 6b65 3d22 l=\"red\" stroke=\"\n+00016910: 7265 6422 2070 6f69 6e74 733d 2238 3930 red\" points=\"890\n+00016920: 2e36 2c2d 3838 3620 3839 332e 3131 2c2d .6,-886 893.11,-\n+00016930: 3839 362e 3320 3839 372e 3537 2c2d 3838 896.3 897.57,-88\n+00016940: 362e 3639 2038 3930 2e36 2c2d 3838 3622 6.69 890.6,-886\"\n+00016950: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00016960: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00016970: 6577 616c 6426 2334 353b 2667 743b 6d6f ewald->mo\n+00016980: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016990: 5f66 6674 202d 2d3e 0a3c 6720 6964 3d22 _fft -->.<g id=\"\n+000169a0: 6564 6765 3133 3622 2063 6c61 7373 3d22 edge136\" class=\"\n+000169b0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+000169c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000169d0: 5f65 7761 6c64 2623 3435 3b26 6774 3b6d _ewald->m\n+000169e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000169f0: 735f 6666 743c 2f74 6974 6c65 3e0a 3c70 s_fft</title>.<p\n+00016a00: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n+00016a10: 7374 726f 6b65 3d22 7265 6422 2064 3d22 stroke=\"red\" d=\"\n+00016a20: 4d39 3136 2e34 362c 2d38 3434 2e37 3843 M916.46,-844.78C\n+00016a30: 3130 3434 2e32 342c 2d38 3430 2e34 3520 1044.24,-840.45 \n+00016a40: 3135 3731 2e33 312c 2d38 3231 2e39 3620 1571.31,-821.96 \n+00016a50: 3230 3033 2e35 362c 2d37 3937 2e33 3120 2003.56,-797.31 \n+00016a60: 3230 3531 2e36 352c 2d37 3934 2e35 3720 2051.65,-794.57 \n+00016a70: 3231 3037 2e30 362c 2d37 3930 2e35 2032 2107.06,-790.5 2\n+00016a80: 3134 322e 3636 2c2d 3738 372e 3738 222f 142.66,-787.78\"/\n+00016a90: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+00016aa0: 2272 6564 2220 7374 726f 6b65 3d22 7265 \"red\" stroke=\"re\n+00016ab0: 6422 2070 6f69 6e74 733d 2232 3134 332e d\" points=\"2143.\n+00016ac0: 3334 2c2d 3739 312e 3233 2032 3135 332e 34,-791.23 2153.\n+00016ad0: 3034 2c2d 3738 362e 3938 2032 3134 322e 04,-786.98 2142.\n+00016ae0: 382c 2d37 3834 2e32 3520 3231 3433 2e33 8,-784.25 2143.3\n+00016af0: 342c 2d37 3931 2e32 3322 2f3e 0a3c 2f67 4,-791.23\"/>.</g\n+00016b00: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00016b10: 635f 6772 6f6d 6163 735f 6577 616c 6426 c_gromacs_ewald&\n+00016b20: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00016b30: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n+00016b40: 7469 6c73 202d 2d3e 0a3c 6720 6964 3d22 tils -->.<g id=\"\n+00016b50: 6564 6765 3133 3522 2063 6c61 7373 3d22 edge135\" class=\"\n+00016b60: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00016b70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016b80: 5f65 7761 6c64 2623 3435 3b26 6774 3b6d _ewald->m\n+00016b90: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00016ba0: 735f 6770 755f 7574 696c 733c 2f74 6974 s_gpu_utils</tit\n+00016bb0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00016bc0: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n+00016bd0: 6422 2064 3d22 4d38 3539 2e31 322c 2d38 d\" d=\"M859.12,-8\n+00016be0: 3439 2e33 3943 3738 342e 3735 2c2d 3835 49.39C784.75,-85\n+00016bf0: 342e 3739 2035 3830 2e32 322c 2d38 3736 4.79 580.22,-876\n+00016c00: 2e36 3520 3433 352e 3536 2c2d 3935 392e .65 435.56,-959.\n+00016c10: 3035 2034 3131 2e34 322c 2d39 3732 2e38 05 411.42,-972.8\n+00016c20: 2033 3839 2e39 322c 2d39 3936 2e36 3720 389.92,-996.67 \n+00016c30: 3337 362e 342c 2d31 3031 332e 3835 222f 376.4,-1013.85\"/\n+00016c40: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+00016c50: 2272 6564 2220 7374 726f 6b65 3d22 7265 \"red\" stroke=\"re\n+00016c60: 6422 2070 6f69 6e74 733d 2233 3733 2e33 d\" points=\"373.3\n+00016c70: 362c 2d31 3031 322e 3037 2033 3730 2e30 6,-1012.07 370.0\n+00016c80: 392c 2d31 3032 322e 3134 2033 3738 2e39 9,-1022.14 378.9\n+00016c90: 332c 2d31 3031 362e 3331 2033 3733 2e33 3,-1016.31 373.3\n+00016ca0: 362c 2d31 3031 322e 3037 222f 3e0a 3c2f 6,-1012.07\"/>.</\n+00016cb0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00016cc0: 7263 5f67 726f 6d61 6373 5f65 7761 6c64 rc_gromacs_ewald\n+00016cd0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00016ce0: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+00016cf0: 6563 202d 2d3e 0a3c 6720 6964 3d22 6564 ec -->.<g id=\"ed\n+00016d00: 6765 3133 3722 2063 6c61 7373 3d22 6564 ge137\" class=\"ed\n+00016d10: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00016d20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+00016d30: 7761 6c64 2623 3435 3b26 6774 3b6d 6f64 wald->mod\n+00016d40: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00016d50: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c domdec</title>.<\n+00016d60: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00016d70: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00016d80: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00016d90: 6179 3d22 352c 3222 2064 3d22 4d38 3831 ay=\"5,2\" d=\"M881\n+00016da0: 2e38 2c2d 3833 332e 3343 3837 322e 3932 .8,-833.3C872.92\n+00016db0: 2c2d 3830 302e 3720 3835 382e 3834 2c2d ,-800.7 858.84,-\n+00016dc0: 3731 302e 3739 2038 3234 2e35 362c 2d36 710.79 824.56,-6\n+00016dd0: 3434 2e37 2038 3134 2e39 372c 2d36 3236 44.7 814.97,-626\n+00016de0: 2e32 3120 3830 362e 3834 2c2d 3632 352e .21 806.84,-625.\n+00016df0: 3532 2037 3934 2e35 362c 2d36 3038 2e37 52 794.56,-608.7\n+00016e00: 2037 3735 2e30 332c 2d35 3831 2e39 3520 775.03,-581.95 \n+00016e10: 3736 362e 3239 2c2d 3537 362e 3820 3735 766.29,-576.8 75\n+00016e20: 342e 3536 2c2d 3534 352e 3833 2037 3330 4.56,-545.83 730\n+00016e30: 2e33 322c 2d34 3831 2e38 3620 3639 362e .32,-481.86 696.\n+00016e40: 3839 2c2d 3435 302e 3332 2037 3334 2e35 89,-450.32 734.5\n+00016e50: 362c 2d33 3933 2e32 3220 3734 372e 3933 6,-393.22 747.93\n+00016e60: 2c2d 3337 322e 3936 2038 3935 2e38 322c ,-372.96 895.82,\n+00016e70: 2d33 3137 2e35 3720 3936 362e 3535 2c2d -317.57 966.55,-\n+00016e80: 3239 332e 3433 222f 3e0a 3c70 6f6c 7967 293.43\"/>.<polyg\n+00016e90: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+00016ea0: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+00016eb0: 6322 2070 6f69 6e74 733d 2239 3638 2e30 c\" points=\"968.0\n+00016ec0: 352c 2d32 3936 2e36 3120 3937 362e 342c 5,-296.61 976.4,\n+00016ed0: 2d32 3930 2e31 2039 3635 2e38 312c 2d32 -290.1 965.81,-2\n+00016ee0: 3839 2e39 3820 3936 382e 3035 2c2d 3239 89.98 968.05,-29\n+00016ef0: 362e 3631 222f 3e0a 3c2f 673e 0a3c 212d 6.61\"/>.</g>.<!-\n+00016f00: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00016f10: 6d61 6373 5f65 7761 6c64 2623 3435 3b26 macs_ewald-&\n+00016f20: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00016f30: 6f6d 6163 735f 6d64 6c69 6220 2d2d 3e0a omacs_mdlib -->.\n+00016f40: 3c67 2069 643d 2265 6467 6531 3339 2220 <g id=\"edge139\" \n+00016f50: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00016f60: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00016f70: 6772 6f6d 6163 735f 6577 616c 6426 2334 gromacs_ewald\n+00016f80: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00016f90: 5f67 726f 6d61 6373 5f6d 646c 6962 3c2f _gromacs_mdlib</\n+00016fa0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00016fb0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00016fc0: 2223 6266 6266 6266 2220 643d 224d 3837 \"#bfbfbf\" d=\"M87\n+00016fd0: 382e 322c 2d38 3333 2e37 3343 3834 332e 8.2,-833.73C843.\n+00016fe0: 3633 2c2d 3737 392e 3735 2037 3238 2e36 63,-779.75 728.6\n+00016ff0: 2c2d 3535 392e 3039 2037 3134 2e35 362c ,-559.09 714.56,\n+00017000: 2d34 3832 2e39 3620 3731 312e 3037 2c2d -482.96 711.07,-\n+00017010: 3436 342e 3036 2037 3131 2e34 352c 2d34 464.06 711.45,-4\n+00017020: 3032 2e35 3220 3731 362e 3536 2c2d 3339 02.52 716.56,-39\n+00017030: 332e 3232 2037 3330 2e32 392c 2d33 3638 3.22 730.29,-368\n+00017040: 2e32 3720 3735 302e 3332 2c2d 3337 382e .27 750.32,-378.\n+00017050: 3232 2037 3639 2e35 362c 2d33 3537 2e32 22 769.56,-357.2\n+00017060: 3220 3737 382e 382c 2d33 3437 2e31 3420 2 778.8,-347.14 \n+00017070: 3737 342e 3733 2c2d 3333 392e 3835 2037 774.73,-339.85 7\n+00017080: 3834 2e35 362c 2d33 3330 2e33 3520 3830 84.56,-330.35 80\n+00017090: 392e 3732 2c2d 3330 362e 3034 2038 3235 9.72,-306.04 825\n+000170a0: 2e37 342c 2d33 3134 2e31 3820 3835 342e .74,-314.18 854.\n+000170b0: 3536 2c2d 3239 342e 3335 2038 3639 2e33 56,-294.35 869.3\n+000170c0: 312c 2d32 3834 2e32 2038 3639 2e35 322c 1,-284.2 869.52,\n+000170d0: 2d32 3737 2e31 3820 3838 342e 3536 2c2d -277.18 884.56,-\n+000170e0: 3236 372e 3438 2039 3131 2e30 372c 2d32 267.48 911.07,-2\n+000170f0: 3530 2e33 3920 3934 342e 3633 2c2d 3233 50.39 944.63,-23\n+00017100: 362e 3539 2039 3639 2e35 322c 2d32 3238 6.59 969.52,-228\n+00017110: 2e31 3622 2f3e 0a3c 706f 6c79 676f 6e20 .16\"/>.<polygon \n+00017120: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n+00017130: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n+00017140: 706f 696e 7473 3d22 3937 302e 3835 2c2d points=\"970.85,-\n+00017150: 3233 312e 3431 2039 3739 2e32 382c 2d32 231.41 979.28,-2\n+00017160: 3234 2e39 3920 3936 382e 3638 2c2d 3232 24.99 968.68,-22\n+00017170: 342e 3735 2039 3730 2e38 352c 2d32 3331 4.75 970.85,-231\n+00017180: 2e34 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d .41\"/>.</g>.<!--\n+00017190: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+000171a0: 6163 735f 6577 616c 6426 2334 353b 2667 acs_ewald-&g\n+000171b0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000171c0: 6d61 6373 5f67 6d78 6c69 6220 2d2d 3e0a macs_gmxlib -->.\n+000171d0: 3c67 2069 643d 2265 6467 6531 3338 2220 <g id=\"edge138\" \n+000171e0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+000171f0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00017200: 6772 6f6d 6163 735f 6577 616c 6426 2334 gromacs_ewald\n+00017210: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00017220: 5f67 726f 6d61 6373 5f67 6d78 6c69 623c _gromacs_gmxlib<\n+00017230: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00017240: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00017250: 3d22 2362 6662 6662 6622 2064 3d22 4d39 =\"#bfbfbf\" d=\"M9\n+00017260: 3130 2e34 312c 2d38 3338 2e32 3843 3934 10.41,-838.28C94\n+00017270: 392e 3234 2c2d 3832 362e 3938 2031 3032 9.24,-826.98 102\n+00017280: 372e 3838 2c2d 3830 352e 3539 2031 3037 7.88,-805.59 107\n+00017290: 342e 3538 2c2d 3739 332e 3539 222f 3e0a 4.58,-793.59\"/>.\n+000172a0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+000172b0: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n+000172c0: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n+000172d0: 2231 3037 352e 352c 2d37 3936 2e39 3720 \"1075.5,-796.97 \n+000172e0: 3130 3834 2e33 322c 2d37 3931 2e31 3120 1084.32,-791.11 \n+000172f0: 3130 3733 2e37 372c 2d37 3930 2e31 3920 1073.77,-790.19 \n+00017300: 3130 3735 2e35 2c2d 3739 362e 3937 222f 1075.5,-796.97\"/\n+00017310: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00017320: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+00017330: 6674 2623 3435 3b26 6774 3b6d 6f64 756c ft->modul\n+00017340: 655f 7372 635f 6772 6f6d 6163 735f 6861 e_src_gromacs_ha\n+00017350: 7264 7761 7265 202d 2d3e 0a3c 6720 6964 rdware -->.<g id\n+00017360: 3d22 6564 6765 3134 3422 2063 6c61 7373 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312e 3734 2032 3238 382e 3034 2c2d 3130 1.74 2288.04,-10\n+00017460: 352e 3532 2035 3437 2e38 342c 2d31 3132 5.52 547.84,-112\n+00017470: 2e35 3220 3439 372e 3536 2c2d 3130 352e .52 497.56,-105.\n+00017480: 3734 2034 3934 2e31 312c 2d31 3035 2e32 74 494.11,-105.2\n+00017490: 3720 3439 302e 3535 2c2d 3130 342e 3635 7 490.55,-104.65\n+000174a0: 2034 3836 2e39 392c 2d31 3033 2e39 3422 486.99,-103.94\"\n+000174b0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+000174c0: 3d22 7265 6422 2073 7472 6f6b 653d 2272 =\"red\" stroke=\"r\n+000174d0: 6564 2220 706f 696e 7473 3d22 3438 372e ed\" points=\"487.\n+000174e0: 3633 2c2d 3130 302e 3439 2034 3737 2e31 63,-100.49 477.1\n+000174f0: 2c2d 3130 312e 3732 2034 3836 2e30 392c ,-101.72 486.09,\n+00017500: 2d31 3037 2e33 3220 3438 372e 3633 2c2d -107.32 487.63,-\n+00017510: 3130 302e 3439 222f 3e0a 3c2f 673e 0a3c 100.49\"/>.</g>.<\n+00017520: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00017530: 726f 6d61 6373 5f66 6674 2623 3435 3b26 romacs_fft-&\n+00017540: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00017550: 6f6d 6163 735f 6770 755f 7574 696c 7320 omacs_gpu_utils \n+00017560: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+00017570: 3433 2220 636c 6173 733d 2265 6467 6522 43\" class=\"edge\"\n+00017580: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00017590: 7372 635f 6772 6f6d 6163 735f 6666 7426 src_gromacs_fft&\n+000175a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000175b0: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n+000175c0: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061 tils</title>.<pa\n+000175d0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n+000175e0: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+000175f0: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+00017600: 3d22 352c 3222 2064 3d22 4d32 3135 332e =\"5,2\" d=\"M2153.\n+00017610: 3034 2c2d 3738 372e 3038 4332 3131 382e 04,-787.08C2118.\n+00017620: 3631 2c2d 3738 392e 3836 2032 3035 362e 61,-789.86 2056.\n+00017630: 3634 2c2d 3739 342e 3631 2032 3030 332e 64,-794.61 2003.\n+00017640: 3536 2c2d 3739 372e 3331 2031 3734 372e 56,-797.31 1747.\n+00017650: 3332 2c2d 3831 302e 3335 2031 3130 312e 32,-810.35 1101.\n+00017660: 3631 2c2d 3738 352e 3335 2038 3439 2e35 61,-785.35 849.5\n+00017670: 362c 2d38 3333 2e33 3120 3638 372e 3138 6,-833.31 687.18\n+00017680: 2c2d 3836 342e 3231 2036 3530 2e33 332c ,-864.21 650.33,\n+00017690: 2d38 3931 2e33 3220 3439 392e 3536 2c2d -891.32 499.56,-\n+000176a0: 3935 392e 3035 2034 3539 2e37 342c 2d39 959.05 459.74,-9\n+000176b0: 3736 2e39 3420 3431 352e 3832 2c2d 3130 76.94 415.82,-10\n+000176c0: 3031 2e38 3620 3338 382e 3436 2c2d 3130 01.86 388.46,-10\n+000176d0: 3138 2e30 3522 2f3e 0a3c 706f 6c79 676f 18.05\"/>.<polygo\n+000176e0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n+000176f0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00017700: 2220 706f 696e 7473 3d22 3338 362e 3634 \" points=\"386.64\n+00017710: 2c2d 3130 3135 2e30 3620 3337 392e 3834 ,-1015.06 379.84\n+00017720: 2c2d 3130 3233 2e31 3920 3339 302e 3233 ,-1023.19 390.23\n+00017730: 2c2d 3130 3231 2e30 3820 3338 362e 3634 ,-1021.08 386.64\n+00017740: 2c2d 3130 3135 2e30 3622 2f3e 0a3c 2f67 ,-1015.06\"/>.</g\n+00017750: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00017760: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n+00017770: 7072 6f63 6573 7326 2334 353b 2667 743b process->\n+00017780: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00017790: 6373 5f6e 626e 786d 202d 2d3e 0a3c 6720 cs_nbnxm -->.<g \n+000177a0: 6964 3d22 6564 6765 3136 3022 2063 6c61 id=\"edge160\" cla\n+000177b0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+000177c0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+000177d0: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n+000177e0: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n+000177f0: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n+00017800: 6e78 6d3c 2f74 6974 6c65 3e0a 3c70 6174 nxm</title>.<pat\n+00017810: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n+00017820: 726f 6b65 3d22 2332 3832 6663 6322 2073 roke=\"#282fcc\" s\n+00017830: 7472 6f6b 652d 6461 7368 6172 7261 793d troke-dasharray=\n+00017840: 2235 2c32 2220 643d 224d 3134 3736 2e38 \"5,2\" d=\"M1476.8\n+00017850: 2c2d 3130 3330 2e39 3343 3132 3938 2e30 ,-1030.93C1298.0\n+00017860: 392c 2d31 3031 392e 3935 2037 3432 2e30 9,-1019.95 742.0\n+00017870: 342c 2d39 3835 2e38 2035 3833 2e39 2c2d 4,-985.8 583.9,-\n+00017880: 3937 362e 3039 222f 3e0a 3c70 6f6c 7967 976.09\"/>.<polyg\n+00017890: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+000178a0: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+000178b0: 6322 2070 6f69 6e74 733d 2235 3833 2e38 c\" points=\"583.8\n+000178c0: 342c 2d39 3732 2e35 3820 3537 332e 3634 4,-972.58 573.64\n+000178d0: 2c2d 3937 352e 3436 2035 3833 2e34 312c ,-975.46 583.41,\n+000178e0: 2d39 3739 2e35 3620 3538 332e 3834 2c2d -979.56 583.84,-\n+000178f0: 3937 322e 3538 222f 3e0a 3c2f 673e 0a3c 972.58\"/>.</g>.<\n+00017900: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00017910: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+00017920: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+00017930: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00017940: 676d 7861 6e61 202d 2d3e 0a3c 6720 6964 gmxana -->.<g id\n+00017950: 3d22 6564 6765 3136 3122 2063 6c61 7373 =\"edge161\" class\n+00017960: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+00017970: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00017980: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n+00017990: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000179a0: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n+000179b0: 6e61 3c2f 7469 746c 653e 0a3c 7061 7468 na</title>.<path\n+000179c0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n+000179d0: 6f6b 653d 2223 6266 6266 6266 2220 643d oke=\"#bfbfbf\" d=\n+000179e0: 224d 3135 3830 2e33 332c 2d31 3032 372e \"M1580.33,-1027.\n+000179f0: 3433 4331 3636 332e 3035 2c2d 3130 3135 43C1663.05,-1015\n+00017a00: 2e34 3420 3138 3331 2e36 332c 2d39 3931 .44 1831.63,-991\n+00017a10: 2e30 3120 3139 3130 2e33 332c 2d39 3739 .01 1910.33,-979\n+00017a20: 2e36 3122 2f3e 0a3c 706f 6c79 676f 6e20 .61\"/>.<polygon \n+00017a30: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n+00017a40: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n+00017a50: 706f 696e 7473 3d22 3139 3130 2e39 372c points=\"1910.97,\n+00017a60: 2d39 3833 2e30 3520 3139 3230 2e33 372c -983.05 1920.37,\n+00017a70: 2d39 3738 2e31 3520 3139 3039 2e39 372c -978.15 1909.97,\n+00017a80: 2d39 3736 2e31 3220 3139 3130 2e39 372c -976.12 1910.97,\n+00017a90: 2d39 3833 2e30 3522 2f3e 0a3c 2f67 3e0a -983.05\"/>.</g>.\n+00017aa0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00017ab0: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n+00017ac0: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n+00017ad0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00017ae0: 5f63 6f6d 6d61 6e64 6c69 6e65 202d 2d3e _commandline -->\n+00017af0: 0a3c 6720 6964 3d22 6564 6765 3134 3522 .<g id=\"edge145\"\n+00017b00: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00017b10: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00017b20: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n+00017b30: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n+00017b40: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00017b50: 735f 636f 6d6d 616e 646c 696e 653c 2f74 s_commandline</t\n+00017b60: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00017b70: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00017b80: 626c 6163 6b22 2073 7472 6f6b 652d 6461 black\" stroke-da\n+00017b90: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00017ba0: 224d 3135 3334 2e39 332c 2d31 3032 312e \"M1534.93,-1021.\n+00017bb0: 3736 4331 3533 382e 3933 2c2d 3939 392e 76C1538.93,-999.\n+00017bc0: 3435 2031 3534 362e 3536 2c2d 3935 312e 45 1546.56,-951.\n+00017bd0: 3438 2031 3534 362e 3536 2c2d 3931 302e 48 1546.56,-910.\n+00017be0: 3632 2031 3534 362e 3536 2c2d 3931 302e 62 1546.56,-910.\n+00017bf0: 3632 2031 3534 362e 3536 2c2d 3931 302e 62 1546.56,-910.\n+00017c00: 3632 2031 3534 362e 3536 2c2d 3834 352e 62 1546.56,-845.\n+00017c10: 3735 2031 3534 362e 3536 2c2d 3831 312e 75 1546.56,-811.\n+00017c20: 3333 2031 3534 352e 3532 2c2d 3739 392e 33 1545.52,-799.\n+00017c30: 3131 2031 3536 342e 3536 2c2d 3737 302e 11 1564.56,-770.\n+00017c40: 3434 2031 3537 332e 3233 2c2d 3735 372e 44 1573.23,-757.\n+00017c50: 3339 2031 3538 362e 3637 2c2d 3734 362e 39 1586.67,-746.\n+00017c60: 3539 2031 3539 392e 3137 2c2d 3733 382e 59 1599.17,-738.\n+00017c70: 3534 222f 3e0a 3c70 6f6c 7967 6f6e 2066 54\"/>.<polygon f\n+00017c80: 696c 6c3d 2262 6c61 636b 2220 7374 726f ill=\"black\" stro\n+00017c90: 6b65 3d22 626c 6163 6b22 2070 6f69 6e74 ke=\"black\" point\n+00017ca0: 733d 2231 3630 312e 3239 2c2d 3734 312e s=\"1601.29,-741.\n+00017cb0: 3334 2031 3630 382e 3032 2c2d 3733 332e 34 1608.02,-733.\n+00017cc0: 3136 2031 3539 372e 3635 2c2d 3733 352e 16 1597.65,-735.\n+00017cd0: 3336 2031 3630 312e 3239 2c2d 3734 312e 36 1601.29,-741.\n+00017ce0: 3334 222f 3e0a 3c2f 673e 0a3c 212d 2d20 34\"/>.</g>.<!-- \n+00017cf0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00017d00: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n+00017d10: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00017d20: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+00017d30: 7065 7320 2d2d 3e0a 3c67 2069 643d 2265 pes -->.<g id=\"e\n+00017d40: 6467 6531 3531 2220 636c 6173 733d 2265 dge151\" class=\"e\n+00017d50: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00017d60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00017d70: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n+00017d80: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00017d90: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n+00017da0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n+00017db0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n+00017dc0: 653d 2223 6266 6266 6266 2220 643d 224d e=\"#bfbfbf\" d=\"M\n+00017dd0: 3134 3839 2e37 342c 2d31 3032 362e 3134 1489.74,-1026.14\n+00017de0: 4331 3337 322e 3434 2c2d 3130 3033 2e36 C1372.44,-1003.6\n+00017df0: 3420 3130 3436 2e38 382c 2d39 3431 2e31 4 1046.88,-941.1\n+00017e00: 3820 3933 302e 3031 2c2d 3931 382e 3736 8 930.01,-918.76\n+00017e10: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+00017e20: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n+00017e30: 6b65 3d22 2362 6662 6662 6622 2070 6f69 ke=\"#bfbfbf\" poi\n+00017e40: 6e74 733d 2239 3330 2e34 392c 2d39 3135 nts=\"930.49,-915\n+00017e50: 2e32 3920 3932 302e 3031 2c2d 3931 362e .29 920.01,-916.\n+00017e60: 3834 2039 3239 2e31 372c 2d39 3232 2e31 84 929.17,-922.1\n+00017e70: 3620 3933 302e 3439 2c2d 3931 352e 3239 6 930.49,-915.29\n+00017e80: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+00017e90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00017ea0: 5f67 6d78 7072 6570 726f 6365 7373 2623 _gmxpreprocess&#\n+00017eb0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00017ec0: 635f 6772 6f6d 6163 735f 6f70 7469 6f6e c_gromacs_option\n+00017ed0: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n+00017ee0: 6531 3535 2220 636c 6173 733d 2265 6467 e155\" class=\"edg\n+00017ef0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00017f00: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00017f10: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n+00017f20: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00017f30: 726f 6d61 6373 5f6f 7074 696f 6e73 3c2f romacs_options</\n+00017f40: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00017f50: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00017f60: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+00017f70: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+00017f80: 2064 3d22 4d31 3532 302e 3037 2c2d 3130 d=\"M1520.07,-10\n+00017f90: 3231 2e39 3143 3135 3131 2e35 392c 2d31 21.91C1511.59,-1\n+00017fa0: 3031 322e 3733 2031 3530 302e 3831 2c2d 012.73 1500.81,-\n+00017fb0: 3939 392e 3532 2031 3439 342e 3536 2c2d 999.52 1494.56,-\n+00017fc0: 3938 352e 3932 2031 3438 302e 332c 2d39 985.92 1480.3,-9\n+00017fd0: 3534 2e39 3120 3134 3739 2e35 362c 2d39 54.91 1479.56,-9\n+00017fe0: 3434 2e37 3420 3134 3739 2e35 362c 2d39 44.74 1479.56,-9\n+00017ff0: 3130 2e36 3220 3134 3739 2e35 362c 2d39 10.62 1479.56,-9\n+00018000: 3130 2e36 3220 3134 3739 2e35 362c 2d39 10.62 1479.56,-9\n+00018010: 3130 2e36 3220 3134 3739 2e35 362c 2d38 10.62 1479.56,-8\n+00018020: 3435 2e37 3520 3134 3739 2e35 362c 2d38 45.75 1479.56,-8\n+00018030: 3037 2e36 3420 3134 3630 2e30 322c 2d38 07.64 1460.02,-8\n+00018040: 3031 2e39 3320 3134 3338 2e35 362c 2d37 01.93 1438.56,-7\n+00018050: 3730 2e34 3420 3133 3739 2e34 352c 2d36 70.44 1379.45,-6\n+00018060: 3833 2e37 3120 3131 3632 2e37 392c 2d34 83.71 1162.79,-4\n+00018070: 3336 2e37 3720 3130 3939 2e32 312c 2d33 36.77 1099.21,-3\n+00018080: 3634 2e37 3422 2f3e 0a3c 706f 6c79 676f 64.74\"/>.<polygo\n+00018090: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n+000180a0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+000180b0: 2220 706f 696e 7473 3d22 3131 3031 2e34 \" points=\"1101.4\n+000180c0: 382c 2d33 3632 2e30 3220 3130 3932 2e32 8,-362.02 1092.2\n+000180d0: 342c 2d33 3536 2e38 3420 3130 3936 2e32 4,-356.84 1096.2\n+000180e0: 342c 2d33 3636 2e36 3620 3131 3031 2e34 4,-366.66 1101.4\n+000180f0: 382c 2d33 3632 2e30 3222 2f3e 0a3c 2f67 8,-362.02\"/>.</g\n+00018100: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00018110: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n+00018120: 7072 6f63 6573 7326 2334 353b 2667 743b process->\n+00018130: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00018140: 6373 5f69 6d64 202d 2d3e 0a3c 6720 6964 cs_imd -->.<g id\n+00018150: 3d22 6564 6765 3135 3922 2063 6c61 7373 =\"edge159\" class\n+00018160: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+00018170: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00018180: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n+00018190: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000181a0: 7372 635f 6772 6f6d 6163 735f 696d 643c src_gromacs_imd<\n+000181b0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+000181c0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+000181d0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+000181e0: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+000181f0: 2220 643d 224d 3135 3930 2e39 322c 2d31 \" d=\"M1590.92,-1\n+00018200: 3033 332e 3135 4331 3731 342e 3437 2c2d 033.15C1714.47,-\n+00018210: 3130 3239 2e39 3720 3139 3938 2e34 362c 1029.97 1998.46,\n+00018220: 2d31 3031 392e 3138 2032 3038 382e 3536 -1019.18 2088.56\n+00018230: 2c2d 3938 352e 3932 2032 3232 372e 3839 ,-985.92 2227.89\n+00018240: 2c2d 3933 342e 3439 2032 3239 332e 3536 ,-934.49 2293.56\n+00018250: 2c2d 3837 302e 3533 2032 3239 332e 3536 ,-870.53 2293.56\n+00018260: 2c2d 3732 322e 3031 2032 3239 332e 3536 ,-722.01 2293.56\n+00018270: 2c2d 3732 322e 3031 2032 3239 332e 3536 ,-722.01 2293.56\n+00018280: 2c2d 3732 322e 3031 2032 3239 332e 3536 ,-722.01 2293.56\n+00018290: 2c2d 3539 342e 3237 2032 3239 332e 3536 ,-594.27 2293.56\n+000182a0: 2c2d 3533 312e 3738 2032 3330 342c 2d35 ,-531.78 2304,-5\n+000182b0: 3036 2e38 3520 3232 3637 2e35 362c 2d34 06.85 2267.56,-4\n+000182c0: 3536 2e30 3920 3231 3637 2e36 392c 2d33 56.09 2167.69,-3\n+000182d0: 3136 2e39 3820 3230 3836 2e39 2c2d 3333 16.98 2086.9,-33\n+000182e0: 392e 3537 2031 3933 312e 3536 2c2d 3236 9.57 1931.56,-26\n+000182f0: 372e 3438 2031 3833 372e 3234 2c2d 3232 7.48 1837.24,-22\n+00018300: 332e 3731 2031 3732 302e 3436 2c2d 3138 3.71 1720.46,-18\n+00018310: 342e 3132 2031 3636 352e 3238 2c2d 3136 4.12 1665.28,-16\n+00018320: 362e 3233 222f 3e0a 3c70 6f6c 7967 6f6e 6.23\"/>.<polygon\n+00018330: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n+00018340: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n+00018350: 2070 6f69 6e74 733d 2231 3636 362e 3331 points=\"1666.31\n+00018360: 2c2d 3136 322e 3838 2031 3635 352e 3732 ,-162.88 1655.72\n+00018370: 2c2d 3136 332e 3135 2031 3636 342e 3136 ,-163.15 1664.16\n+00018380: 2c2d 3136 392e 3535 2031 3636 362e 3331 ,-169.55 1666.31\n+00018390: 2c2d 3136 322e 3838 222f 3e0a 3c2f 673e ,-162.88\"/>.</g>\n+000183a0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+000183b0: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n+000183c0: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n+000183d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000183e0: 735f 6d64 7275 6e20 2d2d 3e0a 3c67 2069 s_mdrun -->.<g i\n+000183f0: 643d 2265 6467 6531 3533 2220 636c 6173 d=\"edge153\" clas\n+00018400: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00018410: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00018420: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n+00018430: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00018440: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+00018450: 756e 3c2f 7469 746c 653e 0a3c 7061 7468 un</title>.<path\n+00018460: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n+00018470: 6f6b 653d 2223 3238 3266 6363 2220 7374 oke=\"#282fcc\" st\n+00018480: 726f 6b65 2d64 6173 6861 7272 6179 3d22 roke-dasharray=\"\n+00018490: 352c 3222 2064 3d22 4d31 3531 322e 3536 5,2\" d=\"M1512.56\n+000184a0: 2c2d 3130 3232 2e37 3143 3134 3939 2e37 ,-1022.71C1499.7\n+000184b0: 2c2d 3130 3134 2e31 3620 3134 3833 2e37 ,-1014.16 1483.7\n+000184c0: 342c 2d31 3030 312e 3337 2031 3437 342e 4,-1001.37 1474.\n+000184d0: 3536 2c2d 3938 352e 3932 2031 3435 372e 56,-985.92 1457.\n+000184e0: 3134 2c2d 3935 362e 3538 2031 3435 392e 14,-956.58 1459.\n+000184f0: 3536 2c2d 3934 342e 3734 2031 3435 392e 56,-944.74 1459.\n+00018500: 3536 2c2d 3931 302e 3632 2031 3435 392e 56,-910.62 1459.\n+00018510: 3536 2c2d 3931 302e 3632 2031 3435 392e 56,-910.62 1459.\n+00018520: 3536 2c2d 3931 302e 3632 2031 3435 392e 56,-910.62 1459.\n+00018530: 3536 2c2d 3834 352e 3735 2031 3435 392e 56,-845.75 1459.\n+00018540: 3536 2c2d 3733 342e 3733 2031 3133 322e 56,-734.73 1132.\n+00018550: 3534 2c2d 3534 302e 3731 2031 3033 352e 54,-540.71 1035.\n+00018560: 3433 2c2d 3438 352e 3534 222f 3e0a 3c70 43,-485.54\"/>.<p\n+00018570: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n+00018580: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n+00018590: 3832 6663 6322 2070 6f69 6e74 733d 2231 82fcc\" points=\"1\n+000185a0: 3033 362e 3935 2c2d 3438 322e 3338 2031 036.95,-482.38 1\n+000185b0: 3032 362e 3532 2c2d 3438 302e 3520 3130 026.52,-480.5 10\n+000185c0: 3333 2e35 2c2d 3438 382e 3437 2031 3033 33.5,-488.47 103\n+000185d0: 362e 3935 2c2d 3438 322e 3338 222f 3e0a 6.95,-482.38\"/>.\n+000185e0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+000185f0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00018600: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n+00018610: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00018620: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n+00018630: 6365 7320 2d2d 3e0a 3c67 2069 643d 2265 ces -->.<g id=\"e\n+00018640: 6467 6531 3536 2220 636c 6173 733d 2265 dge156\" class=\"e\n+00018650: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00018660: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00018670: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n+00018680: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00018690: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n+000186a0: 666f 7263 6573 3c2f 7469 746c 653e 0a3c forces</title>.<\n+000186b0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000186c0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+000186d0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+000186e0: 6179 3d22 352c 3222 2064 3d22 4d31 3530 ay=\"5,2\" d=\"M150\n+000186f0: 332e 3633 2c2d 3130 3233 2e35 3743 3134 3.63,-1023.57C14\n+00018700: 3837 2e31 2c2d 3130 3135 2e37 3920 3134 87.1,-1015.79 14\n+00018710: 3637 2e36 392c 2d31 3030 332e 3532 2031 67.69,-1003.52 1\n+00018720: 3435 372e 3536 2c2d 3938 352e 3932 2031 457.56,-985.92 1\n+00018730: 3433 372e 3634 2c2d 3935 312e 3334 2031 437.64,-951.34 1\n+00018740: 3435 332e 3435 2c2d 3933 362e 3037 2031 453.45,-936.07 1\n+00018750: 3435 342e 3536 2c2d 3839 362e 3138 2031 454.56,-896.18 1\n+00018760: 3435 372e 3637 2c2d 3738 342e 3238 2031 457.67,-784.28 1\n+00018770: 3434 392e 3938 2c2d 3735 352e 3039 2031 449.98,-755.09 1\n+00018780: 3436 382e 3536 2c2d 3634 342e 3720 3134 468.56,-644.7 14\n+00018790: 3930 2e36 312c 2d35 3133 2e36 3820 3135 90.61,-513.68 15\n+000187a0: 3332 2e31 362c 2d34 3838 2e38 3120 3135 32.16,-488.81 15\n+000187b0: 3530 2e35 362c 2d33 3537 2e32 3220 3135 50.56,-357.22 15\n+000187c0: 3536 2e31 392c 2d33 3136 2e39 3320 3135 56.19,-316.93 15\n+000187d0: 3633 2e34 2c2d 3239 342e 3031 2031 3533 63.4,-294.01 153\n+000187e0: 322e 3536 2c2d 3236 372e 3438 2031 3530 2.56,-267.48 150\n+000187f0: 312e 3931 2c2d 3234 312e 3132 2039 3136 1.91,-241.12 916\n+00018800: 2e35 342c 2d31 3830 2e35 2037 3330 2e30 .54,-180.5 730.0\n+00018810: 392c 2d31 3631 2e37 3822 2f3e 0a3c 706f 9,-161.78\"/>.<po\n+00018820: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n+00018830: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n+00018840: 3266 6363 2220 706f 696e 7473 3d22 3733 2fcc\" points=\"73\n+00018850: 302e 3235 2c2d 3135 382e 3238 2037 3139 0.25,-158.28 719\n+00018860: 2e39 352c 2d31 3630 2e37 3720 3732 392e .95,-160.77 729.\n+00018870: 3535 2c2d 3136 352e 3235 2037 3330 2e32 55,-165.25 730.2\n+00018880: 352c 2d31 3538 2e32 3822 2f3e 0a3c 2f67 5,-158.28\"/>.</g\n+00018890: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+000188a0: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n+000188b0: 7072 6f63 6573 7326 2334 353b 2667 743b process->\n+000188c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000188d0: 6373 5f65 7761 6c64 202d 2d3e 0a3c 6720 cs_ewald -->.<g \n+000188e0: 6964 3d22 6564 6765 3135 3722 2063 6c61 id=\"edge157\" cla\n+000188f0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+00018900: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+00018910: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n+00018920: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n+00018930: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n+00018940: 616c 643c 2f74 6974 6c65 3e0a 3c70 6174 ald</title>.<pat\n+00018950: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n+00018960: 726f 6b65 3d22 2332 3832 6663 6322 2073 roke=\"#282fcc\" s\n+00018970: 7472 6f6b 652d 6461 7368 6172 7261 793d troke-dasharray=\n+00018980: 2235 2c32 2220 643d 224d 3135 3035 2e35 \"5,2\" d=\"M1505.5\n+00018990: 392c 2d31 3032 332e 3138 4331 3434 322e 9,-1023.18C1442.\n+000189a0: 3837 2c2d 3939 372e 3536 2031 3238 312e 87,-997.56 1281.\n+000189b0: 3934 2c2d 3933 332e 3837 2031 3134 322e 94,-933.87 1142.\n+000189c0: 3536 2c2d 3839 362e 3138 2031 3036 362e 56,-896.18 1066.\n+000189d0: 3431 2c2d 3837 352e 3539 2039 3735 2e31 41,-875.59 975.1\n+000189e0: 372c 2d38 3630 2e35 3120 3932 352e 3039 7,-860.51 925.09\n+000189f0: 2c2d 3835 332e 3034 222f 3e0a 3c70 6f6c ,-853.04\"/>.<pol\n+00018a00: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n+00018a10: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n+00018a20: 6663 6322 2070 6f69 6e74 733d 2239 3235 fcc\" points=\"925\n+00018a30: 2e34 352c 2d38 3439 2e35 3520 3931 352e .45,-849.55 915.\n+00018a40: 3034 2c2d 3835 312e 3536 2039 3234 2e34 04,-851.56 924.4\n+00018a50: 332c 2d38 3536 2e34 3820 3932 352e 3435 3,-856.48 925.45\n+00018a60: 2c2d 3834 392e 3535 222f 3e0a 3c2f 673e ,-849.55\"/>.</g>\n+00018a70: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00018a80: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n+00018a90: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n+00018aa0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00018ab0: 735f 6666 7420 2d2d 3e0a 3c67 2069 643d s_fft -->.<g id=\n+00018ac0: 2265 6467 6531 3538 2220 636c 6173 733d \"edge158\" class=\n+00018ad0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+00018ae0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00018af0: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n+00018b00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00018b10: 7263 5f67 726f 6d61 6373 5f66 6674 3c2f rc_gromacs_fft</\n+00018b20: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00018b30: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00018b40: 2223 6266 6266 6266 2220 643d 224d 3135 \"#bfbfbf\" d=\"M15\n+00018b50: 3931 2e30 342c 2d31 3033 332e 3735 4331 91.04,-1033.75C1\n+00018b60: 3637 392e 3938 2c2d 3130 3331 2e36 2031 679.98,-1031.6 1\n+00018b70: 3835 332e 3939 2c2d 3130 3232 2e35 3720 853.99,-1022.57 \n+00018b80: 3139 3936 2e35 362c 2d39 3835 2e39 3220 1996.56,-985.92 \n+00018b90: 3230 3636 2e31 372c 2d39 3638 2e30 3220 2066.17,-968.02 \n+00018ba0: 3230 3933 2e35 382c 2d39 3732 2e36 3920 2093.58,-972.69 \n+00018bb0: 3231 3435 2e35 362c 2d39 3233 2e30 3520 2145.56,-923.05 \n+00018bc0: 3231 3737 2e32 322c 2d38 3932 2e38 3120 2177.22,-892.81 \n+00018bd0: 3231 3831 2e33 342c 2d38 3338 2e32 3120 2181.34,-838.21 \n+00018be0: 3231 3830 2e38 382c 2d38 3037 2e34 3822 2180.88,-807.48\"\n+00018bf0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+00018c00: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+00018c10: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n+00018c20: 7473 3d22 3231 3834 2e33 372c 2d38 3037 ts=\"2184.37,-807\n+00018c30: 2e32 2032 3138 302e 3534 2c2d 3739 372e .2 2180.54,-797.\n+00018c40: 3333 2032 3137 372e 3337 2c2d 3830 372e 33 2177.37,-807.\n+00018c50: 3434 2032 3138 342e 3337 2c2d 3830 372e 44 2184.37,-807.\n+00018c60: 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 2\"/>.</g>.<!-- m\n+00018c70: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00018c80: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n+00018c90: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00018ca0: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+00018cb0: 6320 2d2d 3e0a 3c67 2069 643d 2265 6467 c -->.<g id=\"edg\n+00018cc0: 6531 3439 2220 636c 6173 733d 2265 6467 e149\" class=\"edg\n+00018cd0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00018ce0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00018cf0: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n+00018d00: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00018d10: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74 romacs_domdec</t\n+00018d20: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00018d30: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00018d40: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00018d50: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00018d60: 643d 224d 3135 3438 2e33 312c 2d31 3032 d=\"M1548.31,-102\n+00018d70: 322e 3231 4331 3630 332e 3537 2c2d 3937 2.21C1603.57,-97\n+00018d80: 392e 3635 2031 3738 362e 3035 2c2d 3833 9.65 1786.05,-83\n+00018d90: 392e 3520 3138 3030 2e35 362c 2d38 3333 9.5 1800.56,-833\n+00018da0: 2e33 3120 3138 3931 2e32 392c 2d37 3934 .31 1891.29,-794\n+00018db0: 2e36 2031 3934 302e 3331 2c2d 3835 362e .6 1940.31,-856.\n+00018dc0: 3034 2032 3031 392e 3536 2c2d 3739 372e 04 2019.56,-797.\n+00018dd0: 3331 2032 3037 312e 3537 2c2d 3735 382e 31 2071.57,-758.\n+00018de0: 3736 2032 3134 312e 3739 2c2d 3537 322e 76 2141.79,-572.\n+00018df0: 3632 2032 3130 352e 3536 2c2d 3531 382e 62 2105.56,-518.\n+00018e00: 3936 2031 3938 302e 3038 2c2d 3333 332e 96 1980.08,-333.\n+00018e10: 3120 3138 3536 2e31 392c 2d33 3830 2e32 1 1856.19,-380.2\n+00018e20: 3720 3136 3337 2e35 362c 2d33 3330 2e33 7 1637.56,-330.3\n+00018e30: 3520 3134 3030 2e34 372c 2d32 3736 2e32 5 1400.47,-276.2\n+00018e40: 3220 3133 3333 2e34 362c 2d33 3139 2e33 2 1333.46,-319.3\n+00018e50: 3820 3130 3931 2e35 362c 2d32 3934 2e33 8 1091.56,-294.3\n+00018e60: 3520 3130 3736 2e36 322c 2d32 3932 2e38 5 1076.62,-292.8\n+00018e70: 2031 3036 302e 3331 2c2d 3239 302e 3634 1060.31,-290.64\n+00018e80: 2031 3034 352e 3834 2c2d 3238 382e 3534 1045.84,-288.54\n+00018e90: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+00018ea0: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n+00018eb0: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n+00018ec0: 6e74 733d 2231 3034 362e 3038 2c2d 3238 nts=\"1046.08,-28\n+00018ed0: 352e 3034 2031 3033 352e 3637 2c2d 3238 5.04 1035.67,-28\n+00018ee0: 372e 3034 2031 3034 352e 3035 2c2d 3239 7.04 1045.05,-29\n+00018ef0: 312e 3936 2031 3034 362e 3038 2c2d 3238 1.96 1046.08,-28\n+00018f00: 352e 3034 222f 3e0a 3c2f 673e 0a3c 212d 5.04\"/>.</g>.<!-\n+00018f10: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00018f20: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n+00018f30: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n+00018f40: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00018f50: 6c69 6220 2d2d 3e0a 3c67 2069 643d 2265 lib -->.<g id=\"e\n+00018f60: 6467 6531 3530 2220 636c 6173 733d 2265 dge150\" class=\"e\n+00018f70: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00018f80: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00018f90: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n+00018fa0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00018fb0: 5f67 726f 6d61 6373 5f6d 646c 6962 3c2f _gromacs_mdlib</\n+00018fc0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00018fd0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00018fe0: 2223 6266 6266 6266 2220 643d 224d 3135 \"#bfbfbf\" d=\"M15\n+00018ff0: 3236 2e38 312c 2d31 3032 312e 3635 4331 26.81,-1021.65C1\n+00019000: 3531 372e 3336 2c2d 3939 392e 3536 2031 517.36,-999.56 1\n+00019010: 3439 392e 3536 2c2d 3935 322e 3431 2031 499.56,-952.41 1\n+00019020: 3439 392e 3536 2c2d 3931 302e 3632 2031 499.56,-910.62 1\n+00019030: 3439 392e 3536 2c2d 3931 302e 3632 2031 499.56,-910.62 1\n+00019040: 3439 392e 3536 2c2d 3931 302e 3632 2031 499.56,-910.62 1\n+00019050: 3439 392e 3536 2c2d 3738 322e 3838 2031 499.56,-782.88 1\n+00019060: 3439 392e 3536 2c2d 3633 362e 3631 2031 499.56,-636.61 1\n+00019070: 3431 352e 3536 2c2d 3539 352e 3236 2031 415.56,-595.26 1\n+00019080: 3436 302e 3536 2c2d 3435 362e 3039 2031 460.56,-456.09 1\n+00019090: 3436 362e 3633 2c2d 3433 372e 3331 2031 466.63,-437.31 1\n+000190a0: 3437 382e 3037 2c2d 3433 372e 3931 2031 478.07,-437.91 1\n+000190b0: 3438 362e 3536 2c2d 3432 302e 3039 2031 486.56,-420.09 1\n+000190c0: 3530 342e 3033 2c2d 3338 332e 3435 2031 504.03,-383.45 1\n+000190d0: 3531 392e 3833 2c2d 3336 372e 3534 2031 519.83,-367.54 1\n+000190e0: 3530 332e 3536 2c2d 3333 302e 3335 2031 503.56,-330.35 1\n+000190f0: 3438 372e 3037 2c2d 3239 322e 3634 2031 487.07,-292.64 1\n+00019100: 3437 322e 3939 2c2d 3238 342e 3620 3134 472.99,-284.6 14\n+00019110: 3335 2e35 362c 2d32 3637 2e34 3820 3133 35.56,-267.48 13\n+00019120: 3635 2e36 372c 2d32 3335 2e35 3220 3131 65.67,-235.52 11\n+00019130: 3333 2e35 392c 2d32 3233 2e37 3620 3130 33.59,-223.76 10\n+00019140: 3431 2e36 2c2d 3232 302e 3238 222f 3e0a 41.6,-220.28\"/>.\n+00019150: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+00019160: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n+00019170: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n+00019180: 2231 3034 312e 3732 2c2d 3231 362e 3739 \"1041.72,-216.79\n+00019190: 2031 3033 312e 362c 2d32 3139 2e39 3220 1031.6,-219.92 \n+000191a0: 3130 3431 2e34 372c 2d32 3233 2e37 3820 1041.47,-223.78 \n+000191b0: 3130 3431 2e37 322c 2d32 3136 2e37 3922 1041.72,-216.79\"\n+000191c0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+000191d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000191e0: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n+000191f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00019200: 5f67 726f 6d61 6373 5f67 6d78 6c69 6220 _gromacs_gmxlib \n+00019210: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+00019220: 3438 2220 636c 6173 733d 2265 6467 6522 48\" class=\"edge\"\n+00019230: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00019240: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n+00019250: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n+00019260: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00019270: 6d61 6373 5f67 6d78 6c69 623c 2f74 6974 macs_gmxlib</tit\n+00019280: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00019290: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+000192a0: 6662 6662 6622 2064 3d22 4d31 3439 352e fbfbf\" d=\"M1495.\n+000192b0: 3132 2c2d 3130 3234 2e37 3843 3134 3734 12,-1024.78C1474\n+000192c0: 2e32 2c2d 3130 3137 2e35 3120 3134 3439 .2,-1017.51 1449\n+000192d0: 2e34 332c 2d31 3030 352e 3337 2031 3433 .43,-1005.37 143\n+000192e0: 342e 3536 2c2d 3938 352e 3932 2031 3339 4.56,-985.92 139\n+000192f0: 322e 3537 2c2d 3933 312e 3031 2031 3435 2.57,-931.01 145\n+00019300: 342e 3137 2c2d 3838 312e 3434 2031 3430 4.17,-881.44 140\n+00019310: 342e 3536 2c2d 3833 332e 3331 2031 3336 4.56,-833.31 136\n+00019320: 392e 3437 2c2d 3739 392e 3236 2031 3232 9.47,-799.26 122\n+00019330: 352e 3533 2c2d 3738 392e 3038 2031 3135 5.53,-789.08 115\n+00019340: 332e 3331 2c2d 3738 362e 3039 222f 3e0a 3.31,-786.09\"/>.\n+00019350: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+00019360: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n+00019370: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n+00019380: 2231 3135 332e 3332 2c2d 3738 322e 3539 \"1153.32,-782.59\n+00019390: 2031 3134 332e 3139 2c2d 3738 352e 3720 1143.19,-785.7 \n+000193a0: 3131 3533 2e30 352c 2d37 3839 2e35 3820 1153.05,-789.58 \n+000193b0: 3131 3533 2e33 322c 2d37 3832 2e35 3922 1153.32,-782.59\"\n+000193c0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+000193d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000193e0: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n+000193f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00019400: 5f67 726f 6d61 6373 5f66 696c 6569 6f20 _gromacs_fileio \n+00019410: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+00019420: 3437 2220 636c 6173 733d 2265 6467 6522 47\" class=\"edge\"\n+00019430: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00019440: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n+00019450: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n+00019460: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00019470: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974 macs_fileio</tit\n+00019480: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00019490: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+000194a0: 6662 6662 6622 2064 3d22 4d31 3534 332e fbfbf\" d=\"M1543.\n+000194b0: 3138 2c2d 3130 3232 2e30 3843 3135 3735 18,-1022.08C1575\n+000194c0: 2e30 322c 2d39 3836 2e31 3820 3136 3734 .02,-986.18 1674\n+000194d0: 2e30 362c 2d38 3830 2e39 3520 3137 3830 .06,-880.95 1780\n+000194e0: 2e35 362c 2d38 3333 2e33 3120 3138 3732 .56,-833.31 1872\n+000194f0: 2e32 2c2d 3739 322e 3332 2031 3931 392e .2,-792.32 1919.\n+00019500: 372c 2d38 3532 2e35 3120 3230 3033 2e35 7,-852.51 2003.5\n+00019510: 362c 2d37 3937 2e33 3120 3230 3137 2e33 6,-797.31 2017.3\n+00019520: 392c 2d37 3838 2e32 3120 3230 3338 2e39 9,-788.21 2038.9\n+00019530: 332c 2d37 3530 2e33 3420 3230 3433 2e35 3,-750.34 2043.5\n+00019540: 362c 2d37 3334 2e34 3420 3230 3436 2e39 6,-734.44 2046.9\n+00019550: 2c2d 3732 322e 3937 2032 3035 302e 3639 ,-722.97 2050.69\n+00019560: 2c2d 3731 372e 3135 2032 3034 332e 3536 ,-717.15 2043.56\n+00019570: 2c2d 3730 372e 3537 2032 3031 352e 3033 ,-707.57 2015.03\n+00019580: 2c2d 3636 392e 3237 2031 3935 372e 3333 ,-669.27 1957.33\n+00019590: 2c2d 3636 302e 3039 2031 3931 392e 3036 ,-660.09 1919.06\n+000195a0: 2c2d 3635 382e 3438 222f 3e0a 3c70 6f6c ,-658.48\"/>.<pol\n+000195b0: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n+000195c0: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n+000195d0: 6662 6622 2070 6f69 6e74 733d 2231 3931 fbf\" points=\"191\n+000195e0: 382e 3931 2c2d 3635 342e 3938 2031 3930 8.91,-654.98 190\n+000195f0: 382e 3832 2c2d 3635 382e 3231 2031 3931 8.82,-658.21 191\n+00019600: 382e 3733 2c2d 3636 312e 3938 2031 3931 8.73,-661.98 191\n+00019610: 382e 3931 2c2d 3635 342e 3938 222f 3e0a 8.91,-654.98\"/>.\n+00019620: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00019630: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00019640: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n+00019650: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00019660: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n+00019670: 7479 202d 2d3e 0a3c 6720 6964 3d22 6564 ty -->.<g id=\"ed\n+00019680: 6765 3135 3422 2063 6c61 7373 3d22 6564 ge154\" class=\"ed\n+00019690: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+000196a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+000196b0: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n+000196c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000196d0: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n+000196e0: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity</title>.<pa\n+000196f0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n+00019700: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+00019710: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+00019720: 3d22 352c 3222 2064 3d22 4d31 3533 302e =\"5,2\" d=\"M1530.\n+00019730: 3335 2c2d 3130 3231 2e37 3543 3135 3236 35,-1021.75C1526\n+00019740: 2e36 352c 2d39 3939 2e34 3320 3135 3139 .65,-999.43 1519\n+00019750: 2e35 362c 2d39 3531 2e34 3420 3135 3139 .56,-951.44 1519\n+00019760: 2e35 362c 2d39 3130 2e36 3220 3135 3139 .56,-910.62 1519\n+00019770: 2e35 362c 2d39 3130 2e36 3220 3135 3139 .56,-910.62 1519\n+00019780: 2e35 362c 2d39 3130 2e36 3220 3135 3139 .56,-910.62 1519\n+00019790: 2e35 362c 2d37 3832 2e38 3820 3135 3139 .56,-782.88 1519\n+000197a0: 2e35 362c 2d36 3833 2e39 3520 3136 3037 .56,-683.95 1607\n+000197b0: 2e35 342c 2d35 3930 2e36 3920 3136 3439 .54,-590.69 1649\n+000197c0: 2e31 392c 2d35 3532 2e30 3822 2f3e 0a3c .19,-552.08\"/>.<\n+000197d0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+000197e0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+000197f0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00019800: 3136 3531 2e35 382c 2d35 3534 2e36 3320 1651.58,-554.63 \n+00019810: 3136 3536 2e36 322c 2d35 3435 2e33 3120 1656.62,-545.31 \n+00019820: 3136 3436 2e38 372c 2d35 3439 2e34 3520 1646.87,-549.45 \n+00019830: 3136 3531 2e35 382c 2d35 3534 2e36 3322 1651.58,-554.63\"\n+00019840: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00019850: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00019860: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n+00019870: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00019880: 5f67 726f 6d61 6373 5f72 616e 646f 6d20 _gromacs_random \n+00019890: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+000198a0: 3436 2220 636c 6173 733d 2265 6467 6522 46\" class=\"edge\"\n+000198b0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+000198c0: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n+000198d0: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n+000198e0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000198f0: 6d61 6373 5f72 616e 646f 6d3c 2f74 6974 macs_random</tit\n+00019900: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00019910: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c none\" stroke=\"bl\n+00019920: 6163 6b22 2073 7472 6f6b 652d 6461 7368 ack\" stroke-dash\n+00019930: 6172 7261 793d 2235 2c32 2220 643d 224d 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6464 6c65 2220 783d 2232 or=\"middle\" x=\"2\n+0001a7a0: 3837 2e35 3622 2079 3d22 2d31 3039 352e 87.56\" y=\"-1095.\n+0001a7b0: 3733 2220 666f 6e74 2d66 616d 696c 793d 73\" font-family=\n+0001a7c0: 2246 7265 6553 616e 7322 2066 6f6e 742d \"FreeSans\" font-\n+0001a7d0: 7369 7a65 3d22 3130 2e30 3022 3e75 7469 size=\"10.00\">uti\n+0001a7e0: 6c69 7479 3c2f 7465 7874 3e0a 3c2f 613e lity</text>.</a>\n+0001a7f0: 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 .</g>.</g>.<!-- \n+0001a800: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001a810: 6373 5f67 7075 5f75 7469 6c73 2623 3435 cs_gpu_utils-\n+0001a820: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001a830: 6772 6f6d 6163 735f 7574 696c 6974 7920 gromacs_utility \n+0001a840: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+0001a850: 3637 2220 636c 6173 733d 2265 6467 6522 67\" class=\"edge\"\n+0001a860: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0001a870: 7372 635f 6772 6f6d 6163 735f 6770 755f src_gromacs_gpu_\n+0001a880: 7574 696c 7326 2334 353b 2667 743b 6d6f utils->mo\n+0001a890: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001a8a0: 5f75 7469 6c69 7479 3c2f 7469 746c 653e _utility</title>\n+0001a8b0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .<path fill=\"non\n+0001a8c0: 6522 2073 7472 6f6b 653d 2223 3263 6363 e\" stroke=\"#2ccc\n+0001a8d0: 3238 2220 7374 726f 6b65 2d64 6173 6861 28\" stroke-dasha\n+0001a8e0: 7272 6179 3d22 352c 3222 2064 3d22 4d33 rray=\"5,2\" d=\"M3\n+0001a8f0: 3531 2e39 342c 2d31 3034 382e 3835 4333 51.94,-1048.85C3\n+0001a900: 3431 2e39 342c 2d31 3035 382e 3233 2033 41.94,-1058.23 3\n+0001a910: 3236 2e34 2c2d 3130 3731 2e31 3420 3331 26.4,-1071.14 31\n+0001a920: 322e 3939 2c2d 3130 3831 2e32 3622 2f3e 2.99,-1081.26\"/>\n+0001a930: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0001a940: 2332 6363 6332 3822 2073 7472 6f6b 653d #2ccc28\" stroke=\n+0001a950: 2223 3263 6363 3238 2220 706f 696e 7473 \"#2ccc28\" points\n+0001a960: 3d22 3331 302e 3535 2c2d 3130 3738 2e37 =\"310.55,-1078.7\n+0001a970: 3120 3330 342e 3536 2c2d 3130 3837 2e34 1 304.56,-1087.4\n+0001a980: 3520 3331 342e 372c 2d31 3038 342e 3335 5 314.7,-1084.35\n+0001a990: 2033 3130 2e35 352c 2d31 3037 382e 3731 310.55,-1078.71\n+0001a9a0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n 0001a9b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001a9c0: 5f6c 696e 6561 7261 6c67 6562 7261 3c2f _linearalgebra</\n-0001a9d0: 7469 746c 653e 0a3c 656c 6c69 7073 6520 title>.<ellipse \n-0001a9e0: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n-0001a9f0: 7472 6f6b 653d 2262 6c61 636b 2220 6378 troke=\"black\" cx\n-0001aa00: 3d22 3838 362e 3536 2220 6379 3d22 2d31 =\"886.56\" cy=\"-1\n-0001aa10: 3334 392e 3731 2220 7278 3d22 3530 2e34 349.71\" rx=\"50.4\n-0001aa20: 3122 2072 793d 2231 332e 3337 222f 3e0a 1\" ry=\"13.37\"/>.\n-0001aa30: 3c74 6578 7420 7465 7874 2d61 6e63 686f <text text-ancho\n-0001aa40: 723d 226d 6964 646c 6522 2078 3d22 3838 r=\"middle\" x=\"88\n-0001aa50: 362e 3536 2220 793d 222d 3133 3437 2e32 6.56\" y=\"-1347.2\n-0001aa60: 3122 2066 6f6e 742d 6661 6d69 6c79 3d22 1\" font-family=\"\n-0001aa70: 4672 6565 5361 6e73 2220 666f 6e74 2d73 FreeSans\" font-s\n-0001aa80: 697a 653d 2231 302e 3030 223e 6c69 6e65 ize=\"10.00\">line\n-0001aa90: 6172 616c 6765 6272 613c 2f74 6578 743e aralgebra</text>\n-0001aaa0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-0001aab0: 655f 7372 635f 6772 6f6d 6163 735f 7265 e_src_gromacs_re\n-0001aac0: 7374 7261 696e 7426 2334 353b 2667 743b straint->\n-0001aad0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001aae0: 6373 5f64 6f6d 6465 6320 2d2d 3e0a 3c67 cs_domdec -->.<g\n-0001aaf0: 2069 643d 2265 6467 6531 3634 2220 636c id=\"edge164\" cl\n-0001ab00: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-0001ab10: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-0001ab20: 6f6d 6163 735f 7265 7374 7261 696e 7426 omacs_restraint&\n-0001ab30: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001ab40: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-0001ab50: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820 c</title>.<path \n-0001ab60: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n-0001ab70: 6b65 3d22 2332 3832 6663 6322 2073 7472 ke=\"#282fcc\" str\n-0001ab80: 6f6b 652d 6461 7368 6172 7261 793d 2235 oke-dasharray=\"5\n-0001ab90: 2c32 2220 643d 224d 3630 392e 3438 2c2d ,2\" d=\"M609.48,-\n-0001aba0: 3534 322e 3638 4336 3438 2e39 2c2d 3535 542.68C648.9,-55\n-0001abb0: 372e 3738 2037 3330 2e31 372c 2d35 3838 7.78 730.17,-588\n-0001abc0: 2e30 3320 3830 302e 3536 2c2d 3630 382e .03 800.56,-608.\n-0001abd0: 3720 3835 362e 3333 2c2d 3632 352e 3037 7 856.33,-625.07\n-0001abe0: 2039 3231 2e39 312c 2d36 3339 2e39 3420 921.91,-639.94 \n-0001abf0: 3936 332e 3131 2c2d 3634 382e 3737 222f 963.11,-648.77\"/\n-0001ac00: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-0001ac10: 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6169 6e74 romacs_restraint\n-0001ad00: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001ad10: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n-0001ad20: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib</title>.<path\n-0001ad30: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n-0001ad40: 6f6b 653d 2223 6266 6266 6266 2220 643d oke=\"#bfbfbf\" d=\n-0001ad50: 224d 3539 322e 3532 2c2d 3531 392e 3139 \"M592.52,-519.19\n-0001ad60: 4336 3034 2e32 312c 2d34 3937 2e34 3920 C604.21,-497.49 \n-0001ad70: 3632 362e 3536 2c2d 3435 302e 3433 2036 626.56,-450.43 6\n-0001ad80: 3236 2e35 362c 2d34 3037 2e36 3620 3632 26.56,-407.66 62\n-0001ad90: 362e 3536 2c2d 3430 372e 3636 2036 3236 6.56,-407.66 626\n-0001ada0: 2e35 362c 2d34 3037 2e36 3620 3632 362e .56,-407.66 626.\n-0001adb0: 3536 2c2d 3231 372e 3035 2036 3236 2e35 56,-217.05 626.5\n-0001adc0: 362c 2d31 3831 2e31 3220 3633 352e 3636 6,-181.12 635.66\n-0001add0: 2c2d 3134 302e 3233 2036 3432 2e31 352c ,-140.23 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election</title>\n-0001b090: 0a3c 6720 6964 3d22 615f 6e6f 6465 3330 .<g id=\"a_node30\n-0001b0a0: 223e 3c61 2078 6c69 6e6b 3a68 7265 663d \"><a xlink:href=\n-0001b0b0: 2267 726f 7570 5f5f 6d6f 6475 6c65 5f5f \"group__module__\n-0001b0c0: 7365 6c65 6374 696f 6e2e 7868 746d 6c22 selection.xhtml\"\n-0001b0d0: 2074 6172 6765 743d 225f 746f 7022 2078 target=\"_top\" x\n-0001b0e0: 6c69 6e6b 3a74 6974 6c65 3d22 7365 6c65 link:title=\"sele\n-0001b0f0: 6374 696f 6e22 3e0a 3c65 6c6c 6970 7365 ction\">.<ellipse\n-0001b100: 2066 696c 6c3d 2223 6666 6363 6363 2220 fill=\"#ffcccc\" \n-0001b110: 7374 726f 6b65 3d22 626c 6163 6b22 2063 stroke=\"black\" c\n-0001b120: 783d 2231 3732 392e 3536 2220 6379 3d22 x=\"1729.56\" cy=\"\n-0001b130: 2d31 3039 382e 3233 2220 7278 3d22 3339 -1098.23\" rx=\"39\n-0001b140: 2e37 2220 7279 3d22 3133 2e33 3722 2f3e .7\" ry=\"13.37\"/>\n-0001b150: 0a3c 7465 7874 2074 6578 742d 616e 6368 .<text text-anch\n-0001b160: 6f72 3d22 6d69 6464 6c65 2220 783d 2231 or=\"middle\" x=\"1\n-0001b170: 3732 392e 3536 2220 793d 222d 3130 3935 729.56\" y=\"-1095\n-0001b180: 2e37 3322 2066 6f6e 742d 6661 6d69 6c79 .73\" font-family\n-0001b190: 3d22 4672 6565 5361 6e73 2220 666f 6e74 =\"FreeSans\" font\n-0001b1a0: 2d73 697a 653d 2231 302e 3030 223e 7365 -size=\"10.00\">se\n-0001b1b0: 6c65 6374 696f 6e3c 2f74 6578 743e 0a3c lection</text>.<\n-0001b1c0: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 /a>.</g>.</g>.<!\n-0001b1d0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-0001b1e0: 6f6d 6163 735f 7365 6c65 6374 696f 6e26 omacs_selection&\n-0001b1f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001b200: 7263 5f67 726f 6d61 6373 5f72 616e 646f rc_gromacs_rando\n-0001b210: 6d20 2d2d 3e0a 3c67 2069 643d 2265 6467 m -->.<g id=\"edg\n-0001b220: 6531 3639 2220 636c 6173 733d 2265 6467 e169\" class=\"edg\n-0001b230: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-0001b240: 655f 7372 635f 6772 6f6d 6163 735f 7365 e_src_gromacs_se\n-0001b250: 6c65 6374 696f 6e26 2334 353b 2667 743b lection->\n-0001b260: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001b270: 6373 5f72 616e 646f 6d3c 2f74 6974 6c65 cs_random</title\n-0001b280: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0001b290: 6e65 2220 7374 726f 6b65 3d22 2332 6363 ne\" stroke=\"#2cc\n-0001b2a0: 6332 3822 2073 7472 6f6b 652d 6461 7368 c28\" stroke-dash\n-0001b2b0: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-0001b2c0: 3136 3930 2e33 332c 2d31 3039 362e 3139 1690.33,-1096.19\n-0001b2d0: 4331 3435 302e 3236 2c2d 3130 3839 2e35 C1450.26,-1089.5\n-0001b2e0: 3720 3138 392e 3536 2c2d 3130 3531 2e31 7 189.56,-1051.1\n-0001b2f0: 3420 3138 392e 3536 2c2d 3937 332e 3439 4 189.56,-973.49\n-0001b300: 2031 3839 2e35 362c 2d39 3733 2e34 3920 189.56,-973.49 \n-0001b310: 3138 392e 3536 2c2d 3937 332e 3439 2031 189.56,-973.49 1\n-0001b320: 3839 2e35 362c 2d39 3038 2e36 3220 3138 89.56,-908.62 18\n-0001b330: 392e 3536 2c2d 3737 332e 3531 2032 3934 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3332 2c2d 3437 352e 3432 222f 3e0a 3c2f 32,-475.42\"/>.</\n-0001b430: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-0001b440: 7263 5f67 726f 6d61 6373 5f73 656c 6563 rc_gromacs_selec\n-0001b450: 7469 6f6e 2623 3435 3b26 6774 3b6d 6f64 tion->mod\n-0001b460: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001b470: 6f6e 6c69 6e65 6865 6c70 202d 2d3e 0a3c onlinehelp -->.<\n-0001b480: 6720 6964 3d22 6564 6765 3136 3822 2063 g id=\"edge168\" 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 5f73 656c 6563 7469 6f6e romacs_selection\n-0001b4c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001b4d0: 7372 635f 6772 6f6d 6163 735f 6f6e 6c69 src_gromacs_onli\n-0001b4e0: 6e65 6865 6c70 3c2f 7469 746c 653e 0a3c nehelp</title>.<\n-0001b4f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001b500: 2073 7472 6f6b 653d 2223 3238 3266 6363 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odule_src_gromac\n-0001b5f0: 735f 7365 6c65 6374 696f 6e26 2334 353b s_selection-\n-0001b600: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001b610: 726f 6d61 6373 5f6f 7074 696f 6e73 202d romacs_options -\n-0001b620: 2d3e 0a3c 6720 6964 3d22 6564 6765 3136 ->.<g id=\"edge16\n-0001b630: 3722 2063 6c61 7373 3d22 6564 6765 223e 7\" class=\"edge\">\n-0001b640: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-0001b650: 7263 5f67 726f 6d61 6373 5f73 656c 6563 rc_gromacs_selec\n-0001b660: 7469 6f6e 2623 3435 3b26 6774 3b6d 6f64 tion->mod\n-0001b670: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001b680: 6f70 7469 6f6e 733c 2f74 6974 6c65 3e0a options</title>.\n-0001b690: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n-0001b6a0: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n-0001b6b0: 6322 2073 7472 6f6b 652d 6461 7368 6172 c\" stroke-dashar\n-0001b6c0: 7261 793d 2235 2c32 2220 643d 224d 3137 ray=\"5,2\" d=\"M17\n-0001b6d0: 3234 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6772 6f6d 6163 odule_src_gromac\n-0001b990: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n-0001b9a0: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n-0001b9b0: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-0001b9c0: 6c65 696f 202d 2d3e 0a3c 6720 6964 3d22 leio -->.<g id=\"\n-0001b9d0: 6564 6765 3138 3322 2063 6c61 7373 3d22 edge183\" class=\"\n-0001b9e0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-0001b9f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001ba00: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n-0001ba10: 7226 2334 353b 2667 743b 6d6f 6475 6c65 r->module\n-0001ba20: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n-0001ba30: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio</title>.<pat\n-0001ba40: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n-0001ba50: 726f 6b65 3d22 2362 6662 6662 6622 2064 roke=\"#bfbfbf\" d\n-0001ba60: 3d22 4d31 3132 352e 3137 2c2d 3938 362e 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6d61 6373 dule_src_gromacs\n-0001be10: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n-0001be20: 7226 2334 353b 2667 743b 6d6f 6475 6c65 r->module\n-0001be30: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-0001be40: 756e 3c2f 7469 746c 653e 0a3c 7061 7468 un</title>.<path\n-0001be50: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n-0001be60: 6f6b 653d 2272 6564 2220 643d 224d 3131 oke=\"red\" d=\"M11\n-0001be70: 3331 2e35 362c 2d39 3539 2e32 3543 3131 31.56,-959.25C11\n-0001be80: 3432 2e37 362c 2d39 3530 2e35 3420 3131 42.76,-950.54 11\n-0001be90: 3538 2e35 2c2d 3933 372e 3739 2031 3136 58.5,-937.79 116\n-0001bea0: 382e 3536 2c2d 3932 332e 3035 2031 3139 8.56,-923.05 119\n-0001beb0: 322e 3236 2c2d 3838 382e 3331 2031 3137 2.26,-888.31 117\n-0001bec0: 362e 3434 2c2d 3836 392e 3037 2031 3139 6.44,-869.07 119\n-0001bed0: 382e 3536 2c2d 3833 332e 3331 2031 3231 8.56,-833.31 121\n-0001bee0: 302e 3436 2c2d 3831 342e 3037 2031 3232 0.46,-814.07 122\n-0001bef0: 312e 3634 2c2d 3831 352e 3839 2031 3233 1.64,-815.89 123\n-0001bf00: 342e 3536 2c2d 3739 372e 3331 2031 3237 4.56,-797.31 127\n-0001bf10: 372e 3137 2c2d 3733 362e 3035 2031 3237 7.17,-736.05 127\n-0001bf20: 312e 3334 2c2d 3731 312e 3532 2031 3330 1.34,-711.52 130\n-0001bf30: 342e 3536 2c2d 3634 342e 3720 3133 3039 4.56,-644.7 1309\n-0001bf40: 2e32 392c 2d36 3335 2e31 3920 3133 3134 .29,-635.19 1314\n-0001bf50: 2e38 322c 2d36 3234 2e37 3920 3133 3230 .82,-624.79 1320\n-0001bf60: 2e33 312c 2d36 3136 2e30 3722 2f3e 0a3c .31,-616.07\"/>.<\n-0001bf70: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n-0001bf80: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n-0001bf90: 706f 696e 7473 3d22 3133 3233 2e32 362c points=\"1323.26,\n-0001bfa0: 2d36 3137 2e39 3520 3133 3235 2e39 372c -617.95 1325.97,\n-0001bfb0: 2d36 3037 2e37 3120 3133 3137 2e34 362c -607.71 1317.46,\n-0001bfc0: 2d36 3134 2e30 3320 3133 3233 2e32 362c -614.03 1323.26,\n-0001bfd0: 2d36 3137 2e39 3522 2f3e 0a3c 2f67 3e0a -617.95\"/>.</g>.\n-0001bfe0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-0001bff0: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273 gromacs_modulars\n-0001c000: 696d 756c 6174 6f72 2623 3435 3b26 6774 imulator->\n-0001c010: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001c020: 6163 735f 7461 736b 6173 7369 676e 6d65 acs_taskassignme\n-0001c030: 6e74 202d 2d3e 0a3c 6720 6964 3d22 6564 nt -->.<g id=\"ed\n-0001c040: 6765 3138 3522 2063 6c61 7373 3d22 6564 ge185\" class=\"ed\n-0001c050: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-0001c060: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0001c070: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n-0001c080: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001c090: 7263 5f67 726f 6d61 6373 5f74 6173 6b61 rc_gromacs_taska\n-0001c0a0: 7373 6967 6e6d 656e 743c 2f74 6974 6c65 ssignment</title\n-0001c0b0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0001c0c0: 6e65 2220 7374 726f 6b65 3d22 7265 6422 ne\" stroke=\"red\"\n-0001c0d0: 2064 3d22 4d31 3132 332e 3538 2c2d 3935 d=\"M1123.58,-95\n-0001c0e0: 382e 3738 4331 3133 312e 3431 2c2d 3933 8.78C1131.41,-93\n-0001c0f0: 342e 3238 2031 3134 392e 3535 2c2d 3837 4.28 1149.55,-87\n-0001c100: 382e 3839 2031 3136 372e 3536 2c2d 3833 8.89 1167.56,-83\n-0001c110: 332e 3331 2031 3137 332e 3939 2c2d 3831 3.31 1173.99,-81\n-0001c120: 372e 3033 2031 3137 392e 3833 2c2d 3831 7.03 1179.83,-81\n-0001c130: 342e 3432 2031 3138 332e 3536 2c2d 3739 4.42 1183.56,-79\n-0001c140: 372e 3331 2031 3230 322e 3634 2c2d 3730 7.31 1202.64,-70\n-0001c150: 392e 3834 2031 3139 342e 3334 2c2d 3630 9.84 1194.34,-60\n-0001c160: 322e 3135 2031 3138 392e 3334 2c2d 3535 2.15 1189.34,-55\n-0001c170: 362e 3036 222f 3e0a 3c70 6f6c 7967 6f6e 6.06\"/>.<polygon\n-0001c180: 2066 696c 6c3d 2272 6564 2220 7374 726f fill=\"red\" stro\n-0001c190: 6b65 3d22 7265 6422 2070 6f69 6e74 733d ke=\"red\" points=\n-0001c1a0: 2231 3139 322e 382c 2d35 3535 2e35 2031 \"1192.8,-555.5 1\n-0001c1b0: 3138 382e 3139 2c2d 3534 352e 3936 2031 188.19,-545.96 1\n-0001c1c0: 3138 352e 3835 2c2d 3535 362e 3320 3131 185.85,-556.3 11\n-0001c1d0: 3932 2e38 2c2d 3535 352e 3522 2f3e 0a3c 92.8,-555.5\"/>.<\n-0001c1e0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-0001c1f0: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n-0001c200: 6c61 7273 696d 756c 6174 6f72 2623 3435 larsimulator-\n-0001c210: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001c220: 6772 6f6d 6163 735f 7261 6e64 6f6d 202d gromacs_random -\n-0001c230: 2d3e 0a3c 6720 6964 3d22 6564 6765 3137 ->.<g id=\"edge17\n-0001c240: 3822 2063 6c61 7373 3d22 6564 6765 223e 8\" class=\"edge\">\n-0001c250: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-0001c260: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c rc_gromacs_modul\n-0001c270: 6172 7369 6d75 6c61 746f 7226 2334 353b arsimulator-\n-0001c280: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001c290: 726f 6d61 6373 5f72 616e 646f 6d3c 2f74 romacs_random</t\n-0001c2a0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0001c2b0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0001c2c0: 626c 6163 6b22 2073 7472 6f6b 652d 6461 black\" stroke-da\n-0001c2d0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-0001c2e0: 224d 3131 3739 2e39 362c 2d39 3637 2e34 \"M1179.96,-967.4\n-0001c2f0: 3543 3133 3336 2e37 352c 2d39 3536 2e32 5C1336.75,-956.2\n-0001c300: 2031 3735 332e 3035 2c2d 3932 312e 3237 1753.05,-921.27\n-0001c310: 2031 3837 352e 3536 2c2d 3836 302e 3138 1875.56,-860.18\n-0001c320: 2032 3034 392e 3132 2c2d 3737 332e 3633 2049.12,-773.63\n-0001c330: 2032 3032 312e 3433 2c2d 3636 362e 3239 2021.43,-666.29\n-0001c340: 2032 3134 372e 3536 2c2d 3531 382e 3936 2147.56,-518.96\n-0001c350: 2032 3135 372e 3239 2c2d 3530 372e 3620 2157.29,-507.6 \n-0001c360: 3231 3639 2e38 312c 2d34 3936 2e36 3520 2169.81,-496.65 \n-0001c370: 3231 3830 2e36 332c 2d34 3838 2e30 3522 2180.63,-488.05\"\n-0001c380: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-0001c390: 3d22 626c 6163 6b22 2073 7472 6f6b 653d =\"black\" stroke=\n-0001c3a0: 2262 6c61 636b 2220 706f 696e 7473 3d22 \"black\" points=\"\n-0001c3b0: 3231 3833 2e30 392c 2d34 3930 2e35 3720 2183.09,-490.57 \n-0001c3c0: 3231 3838 2e38 362c 2d34 3831 2e36 3920 2188.86,-481.69 \n-0001c3d0: 3231 3738 2e38 312c 2d34 3835 2e30 3320 2178.81,-485.03 \n-0001c3e0: 3231 3833 2e30 392c 2d34 3930 2e35 3722 2183.09,-490.57\"\n-0001c3f0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-0001c400: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001c410: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n-0001c420: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001c430: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n-0001c440: 6563 202d 2d3e 0a3c 6720 6964 3d22 6564 ec -->.<g id=\"ed\n-0001c450: 6765 3137 3222 2063 6c61 7373 3d22 6564 ge172\" class=\"ed\n-0001c460: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-0001c470: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0001c480: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n-0001c490: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001c4a0: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-0001c4b0: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820 c</title>.<path \n-0001c4c0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n-0001c4d0: 6b65 3d22 7265 6422 2064 3d22 4d31 3037 ke=\"red\" d=\"M107\n-0001c4e0: 372e 3337 2c2d 3936 322e 3235 4331 3030 7.37,-962.25C100\n-0001c4f0: 372e 362c 2d39 3434 2e33 3820 3837 302e 7.6,-944.38 870.\n-0001c500: 3639 2c2d 3839 372e 3633 2038 3138 2e35 69,-897.63 818.5\n-0001c510: 362c 2d37 3937 2e33 3120 3738 332e 3733 6,-797.31 783.73\n-0001c520: 2c2d 3733 302e 3239 2039 3030 2e33 392c ,-730.29 900.39,\n-0001c530: 2d36 3837 2e30 3720 3936 342e 3431 2c2d -687.07 964.41,-\n-0001c540: 3636 382e 3933 222f 3e0a 3c70 6f6c 7967 668.93\"/>.<polyg\n-0001c550: 6f6e 2066 696c 6c3d 2272 6564 2220 7374 on fill=\"red\" st\n-0001c560: 726f 6b65 3d22 7265 6422 2070 6f69 6e74 roke=\"red\" point\n-0001c570: 733d 2239 3635 2e34 392c 2d36 3732 2e32 s=\"965.49,-672.2\n-0001c580: 3620 3937 342e 322c 2d36 3636 2e32 3320 6 974.2,-666.23 \n-0001c590: 3936 332e 3633 2c2d 3636 352e 3531 2039 963.63,-665.51 9\n-0001c5a0: 3635 2e34 392c 2d36 3732 2e32 3622 2f3e 65.49,-672.26\"/>\n-0001c5b0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-0001c5c0: 655f 7372 635f 6772 6f6d 6163 735f 6d6f e_src_gromacs_mo\n-0001c5d0: 6475 6c61 7273 696d 756c 6174 6f72 2623 dularsimulator&#\n-0001c5e0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001c5f0: 635f 6772 6f6d 6163 735f 6770 755f 7574 c_gromacs_gpu_ut\n-0001c600: 696c 7320 2d2d 3e0a 3c67 2069 643d 2265 ils -->.<g id=\"e\n-0001c610: 6467 6531 3730 2220 636c 6173 733d 2265 dge170\" class=\"e\n-0001c620: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-0001c630: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001c640: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n-0001c650: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001c660: 7372 635f 6772 6f6d 6163 735f 6770 755f src_gromacs_gpu_\n-0001c670: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70 utils</title>.<p\n-0001c680: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n-0001c690: 7374 726f 6b65 3d22 626c 6163 6b22 2073 stroke=\"black\" s\n-0001c6a0: 7472 6f6b 652d 6461 7368 6172 7261 793d troke-dasharray=\n-0001c6b0: 2235 2c32 2220 643d 224d 3131 3231 2e30 \"5,2\" d=\"M1121.0\n-0001c6c0: 362c 2d39 3538 2e39 3143 3131 3232 2e39 6,-958.91C1122.9\n-0001c6d0: 332c 2d39 3433 2e39 3120 3131 3236 2e33 3,-943.91 1126.3\n-0001c6e0: 392c 2d39 3138 2e31 3220 3131 3330 2e35 9,-918.12 1130.5\n-0001c6f0: 362c 2d38 3936 2e31 3820 3131 3434 2e33 6,-896.18 1144.3\n-0001c700: 352c 2d38 3233 2e36 3420 3131 3630 2e30 5,-823.64 1160.0\n-0001c710: 362c 2d38 3037 2e37 3920 3131 3638 2e35 6,-807.79 1168.5\n-0001c720: 362c 2d37 3334 2e34 3420 3131 3738 2e35 6,-734.44 1178.5\n-0001c730: 372c 2d36 3438 2e30 3620 3131 3330 2e30 7,-648.06 1130.0\n-0001c740: 332c 2d36 3331 2e37 3420 3131 3136 2e35 3,-631.74 1116.5\n-0001c750: 362c 2d35 3435 2e38 3320 3131 3038 2e35 6,-545.83 1108.5\n-0001c760: 2c2d 3439 342e 3432 2031 3132 392e 3239 ,-494.42 1129.29\n-0001c770: 2c2d 3430 382e 3638 2031 3133 372e 3536 ,-408.68 1137.56\n-0001c780: 2c2d 3339 332e 3232 2031 3138 302e 3735 ,-393.22 1180.75\n-0001c790: 2c2d 3331 322e 3520 3132 3936 2e35 332c ,-312.5 1296.53,\n-0001c7a0: 2d32 3930 2e32 3220 3133 3633 2e32 382c -290.22 1363.28,\n-0001c7b0: 2d32 3834 2e31 3322 2f3e 0a3c 706f 6c79 -284.13\"/>.<poly\n-0001c7c0: 676f 6e20 6669 6c6c 3d22 626c 6163 6b22 gon fill=\"black\"\n-0001c7d0: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n-0001c7e0: 706f 696e 7473 3d22 3133 3633 2e38 382c points=\"1363.88,\n-0001c7f0: 2d32 3837 2e35 3920 3133 3733 2e35 362c -287.59 1373.56,\n-0001c800: 2d32 3833 2e32 3920 3133 3633 2e33 2c2d -283.29 1363.3,-\n-0001c810: 3238 302e 3632 2031 3336 332e 3838 2c2d 280.62 1363.88,-\n-0001c820: 3238 372e 3539 222f 3e0a 3c2f 673e 0a3c 287.59\"/>.</g>.<\n-0001c830: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001c840: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-0001c850: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n-0001c860: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001c870: 6373 5f67 6d78 6c69 6220 2d2d 3e0a 3c67 cs_gmxlib -->.<g\n-0001c880: 2069 643d 2265 6467 6531 3830 2220 636c id=\"edge180\" cl\n-0001c890: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-0001c8a0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-0001c8b0: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n-0001c8c0: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n-0001c8d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001c8e0: 735f 676d 786c 6962 3c2f 7469 746c 653e s_gmxlib</title>\n-0001c8f0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .<path fill=\"non\n-0001c900: 6522 2073 7472 6f6b 653d 2223 6266 6266 e\" stroke=\"#bfbf\n-0001c910: 6266 2220 643d 224d 3130 3535 2e33 322c bf\" d=\"M1055.32,\n-0001c920: 2d39 3730 2e31 3243 3938 302e 382c 2d39 -970.12C980.8,-9\n-0001c930: 3636 2e39 3320 3835 352e 3034 2c2d 3935 66.93 855.04,-95\n-0001c940: 362e 3533 2037 3532 2e35 362c 2d39 3233 6.53 752.56,-923\n-0001c950: 2e30 3520 3634 372e 3337 2c2d 3838 382e .05 647.37,-888.\n-0001c960: 3639 2033 3930 2e37 312c 2d37 3333 2e39 69 390.71,-733.9\n-0001c970: 3820 3333 322e 3536 2c2d 3637 312e 3537 8 332.56,-671.57\n-0001c980: 2032 3332 2e36 392c 2d35 3634 2e34 2032 232.69,-564.4 2\n-0001c990: 3839 2e35 362c 2d34 3931 2e32 3820 3238 89.56,-491.28 28\n-0001c9a0: 392e 3536 2c2d 3334 342e 3739 2032 3839 9.56,-344.79 289\n-0001c9b0: 2e35 362c 2d33 3434 2e37 3920 3238 392e .56,-344.79 289.\n-0001c9c0: 3536 2c2d 3334 342e 3739 2032 3839 2e35 56,-344.79 289.5\n-0001c9d0: 362c 2d32 3137 2e30 3520 3238 392e 3536 6,-217.05 289.56\n-0001c9e0: 2c2d 3137 392e 3935 2032 3935 2e37 342c ,-179.95 295.74,\n-0001c9f0: 2d31 3633 2e38 2033 3235 2e35 362c 2d31 -163.8 325.56,-1\n-0001ca00: 3431 2e37 3420 3336 392e 3337 2c2d 3130 41.74 369.37,-10\n-0001ca10: 392e 3333 2035 3239 2e34 382c 2d39 382e 9.33 529.48,-98.\n-0001ca20: 3239 2036 3036 2e35 352c 2d39 342e 3739 29 606.55,-94.79\n-0001ca30: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-0001ca40: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n-0001ca50: 6b65 3d22 2362 6662 6662 6622 2070 6f69 ke=\"#bfbfbf\" poi\n-0001ca60: 6e74 733d 2236 3037 2e30 312c 2d39 382e nts=\"607.01,-98.\n-0001ca70: 3238 2036 3136 2e38 352c 2d39 342e 3335 28 616.85,-94.35\n-0001ca80: 2036 3036 2e37 312c 2d39 312e 3238 2036 606.71,-91.28 6\n-0001ca90: 3037 2e30 312c 2d39 382e 3238 222f 3e0a 07.01,-98.28\"/>.\n-0001caa0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-0001cab0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64 _src_gromacs_mod\n-0001cac0: 756c 6172 7369 6d75 6c61 746f 7226 2334 ularsimulator\n-0001cad0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001cae0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-0001caf0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-0001cb00: 3137 3122 2063 6c61 7373 3d22 6564 6765 171\" class=\"edge\n-0001cb10: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-0001cb20: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64 _src_gromacs_mod\n-0001cb30: 756c 6172 7369 6d75 6c61 746f 7226 2334 ularsimulator\n-0001cb40: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001cb50: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-0001cb60: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n-0001cb70: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n-0001cb80: 653d 2272 6564 2220 643d 224d 3131 3038 e=\"red\" d=\"M1108\n-0001cb90: 2e36 332c 2d39 3539 2e31 3743 3130 3831 .63,-959.17C1081\n-0001cba0: 2e33 372c 2d39 3236 2e38 3820 3130 3135 .37,-926.88 1015\n-0001cbb0: 2e30 352c 2d38 3337 2e36 3520 3130 3530 .05,-837.65 1050\n-0001cbc0: 2e35 362c 2d37 3730 2e34 3420 3130 3538 .56,-770.44 1058\n-0001cbd0: 2e35 372c 2d37 3535 2e32 3920 3130 3733 .57,-755.29 1073\n-0001cbe0: 2e36 382c 2d37 3433 2e39 3820 3130 3837 .68,-743.98 1087\n-0001cbf0: 2e39 312c 2d37 3336 2e31 3222 2f3e 0a3c .91,-736.12\"/>.<\n-0001cc00: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n-0001cc10: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n-0001cc20: 706f 696e 7473 3d22 3130 3839 2e37 342c points=\"1089.74,\n-0001cc30: 2d37 3339 2e31 3220 3130 3937 2e30 352c -739.12 1097.05,\n-0001cc40: 2d37 3331 2e34 3520 3130 3836 2e35 352c -731.45 1086.55,\n-0001cc50: 2d37 3332 2e38 3920 3130 3839 2e37 342c -732.89 1089.74,\n-0001cc60: 2d37 3339 2e31 3222 2f3e 0a3c 2f67 3e0a -739.12\"/>.</g>.\n-0001cc70: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-0001cc80: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273 gromacs_modulars\n-0001cc90: 696d 756c 6174 6f72 2623 3435 3b26 6774 imulator->\n-0001cca0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001ccb0: 6163 735f 6e62 6e78 6d20 2d2d 3e0a 3c67 acs_nbnxm -->.<g\n-0001ccc0: 2069 643d 2265 6467 6531 3832 2220 636c id=\"edge182\" cl\n-0001ccd0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-0001cce0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-0001ccf0: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n-0001cd00: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n-0001cd10: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001cd20: 735f 6e62 6e78 6d3c 2f74 6974 6c65 3e0a s_nbnxm</title>.\n-0001cd30: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n-0001cd40: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n-0001cd50: 6322 2073 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759.12,-535.2 7\n-0001ce40: 3631 2e34 362c 2d35 3330 2e34 3920 3736 61.46,-530.49 76\n-0001ce50: 342e 3536 2c2d 3531 382e 3936 2037 3936 4.56,-518.96 796\n-0001ce60: 2e36 392c 2d33 3939 2e36 3120 3839 352e .69,-399.61 895.\n-0001ce70: 3036 2c2d 3238 332e 3233 2039 3336 2e31 06,-283.23 936.1\n-0001ce80: 382c 2d32 3338 2e33 3822 2f3e 0a3c 706f 8,-238.38\"/>.<po\n-0001ce90: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n-0001cea0: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n-0001ceb0: 3266 6363 2220 706f 696e 7473 3d22 3933 2fcc\" points=\"93\n-0001cec0: 382e 3933 2c2d 3234 302e 3537 2039 3433 8.93,-240.57 943\n-0001ced0: 2e31 372c 2d32 3330 2e38 3620 3933 332e .17,-230.86 933.\n-0001cee0: 382c 2d32 3335 2e38 3120 3933 382e 3933 8,-235.81 938.93\n-0001cef0: 2c2d 3234 302e 3537 222f 3e0a 3c2f 673e ,-240.57\"/>.</g>\n-0001cf00: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-0001cf10: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n-0001cf20: 7369 6d75 6c61 746f 7226 2334 353b 2667 simulator-&g\n-0001cf30: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001cf40: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n-0001cf50: 7920 2d2d 3e0a 3c67 2069 643d 2265 6467 y -->.<g id=\"edg\n-0001cf60: 6531 3737 2220 636c 6173 733d 2265 6467 e177\" class=\"edg\n-0001cf70: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-0001cf80: 655f 7372 635f 6772 6f6d 6163 735f 6d6f e_src_gromacs_mo\n-0001cf90: 6475 6c61 7273 696d 756c 6174 6f72 2623 dularsimulator&#\n-0001cfa0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001cfb0: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n-0001cfc0: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility</title>.<\n-0001cfd0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001cfe0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-0001cff0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-0001d000: 6179 3d22 352c 3222 2064 3d22 4d31 3039 ay=\"5,2\" d=\"M109\n-0001d010: 362e 3735 2c2d 3935 392e 3833 4331 3037 6.75,-959.83C107\n-0001d020: 392e 3435 2c2d 3935 302e 3633 2031 3035 9.45,-950.63 105\n-0001d030: 352e 3334 2c2d 3933 372e 3036 2031 3033 5.34,-937.06 103\n-0001d040: 352e 3536 2c2d 3932 332e 3035 2039 3831 5.56,-923.05 981\n-0001d050: 2e37 2c2d 3838 342e 3932 2039 3234 2e33 .7,-884.92 924.3\n-0001d060: 382c 2d38 3332 2e34 3820 3839 342e 3831 8,-832.48 894.81\n-0001d070: 2c2d 3830 342e 3434 222f 3e0a 3c70 6f6c ,-804.44\"/>.<pol\n-0001d080: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n-0001d090: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n-0001d0a0: 6663 6322 2070 6f69 6e74 733d 2238 3936 fcc\" points=\"896\n-0001d0b0: 2e38 392c 2d38 3031 2e35 3820 3838 372e .89,-801.58 887.\n-0001d0c0: 3234 2c2d 3739 372e 3231 2038 3932 2e30 24,-797.21 892.0\n-0001d0d0: 352c 2d38 3036 2e36 3520 3839 362e 3839 5,-806.65 896.89\n-0001d0e0: 2c2d 3830 312e 3538 222f 3e0a 3c2f 673e 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3535 2031 732.68,-492.55 1\n-0001d2c0: 3733 392e 3633 2c2d 3439 332e 3337 222f 739.63,-493.37\"/\n-0001d2d0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n-0001d2e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0001d2f0: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n-0001d300: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001d310: 7263 5f67 726f 6d61 6373 5f6c 6973 7465 rc_gromacs_liste\n-0001d320: 645f 666f 7263 6573 202d 2d3e 0a3c 6720 d_forces -->.<g \n-0001d330: 6964 3d22 6564 6765 3138 3122 2063 6c61 id=\"edge181\" cla\n-0001d340: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-0001d350: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-0001d360: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n-0001d370: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n-0001d380: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001d390: 5f6c 6973 7465 645f 666f 7263 6573 3c2f _listed_forces</\n-0001d3a0: 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6475 6c65 5f73 7263 5f67 >module_src_g\n-0001d830: 726f 6d61 6373 5f6d 646c 6962 3c2f 7469 romacs_mdlib</ti\n-0001d840: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0001d850: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n-0001d860: 6564 2220 643d 224d 3131 3638 2e35 392c ed\" d=\"M1168.59,\n-0001d870: 2d39 3633 2e35 3943 3132 3435 2e33 382c -963.59C1245.38,\n-0001d880: 2d39 3531 2e32 3220 3133 3932 2e33 322c -951.22 1392.32,\n-0001d890: 2d39 3237 2e35 3620 3134 3630 2e37 372c -927.56 1460.77,\n-0001d8a0: 2d39 3136 2e35 3422 2f3e 0a3c 706f 6c79 -916.54\"/>.<poly\n-0001d8b0: 676f 6e20 6669 6c6c 3d22 7265 6422 2073 gon fill=\"red\" s\n-0001d8c0: 7472 6f6b 653d 2272 6564 2220 706f 696e troke=\"red\" poin\n-0001d8d0: 7473 3d22 3134 3631 2e37 352c 2d39 3139 ts=\"1461.75,-919\n-0001d8e0: 2e39 3320 3134 3731 2e30 362c 2d39 3134 .93 1471.06,-914\n-0001d8f0: 2e38 3820 3134 3630 2e36 332c 2d39 3133 .88 1460.63,-913\n-0001d900: 2e30 3220 3134 3631 2e37 352c 2d39 3139 .02 1461.75,-919\n-0001d910: 2e39 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d .93\"/>.</g>.<!--\n-0001d920: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-0001d930: 6163 735f 676d 786c 6962 2623 3435 3b26 acs_gmxlib-&\n-0001d940: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001d950: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n-0001d960: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467 e -->.<g id=\"edg\n-0001d970: 6531 3836 2220 636c 6173 733d 2265 6467 e186\" class=\"edg\n-0001d980: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-0001d990: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-0001d9a0: 786c 6962 2623 3435 3b26 6774 3b6d 6f64 xlib->mod\n-0001d9b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001d9c0: 636f 6d6d 616e 646c 696e 653c 2f74 6974 commandline</tit\n-0001d9d0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0001d9e0: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c none\" stroke=\"bl\n-0001d9f0: 6163 6b22 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6d61 6373 5f67 6d78 6c69 6226 2334 353b macs_gmxlib-\n-0001dbd0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001dbe0: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f romacs_mdtypes</\n-0001dbf0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0001dc00: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0001dc10: 2223 6266 6266 6266 2220 643d 224d 3631 \"#bfbfbf\" d=\"M61\n-0001dc20: 372e 3239 2c2d 3935 2e30 3143 3535 312e 7.29,-95.01C551.\n-0001dc30: 3636 2c2d 3130 302e 3433 2034 3035 2e35 66,-100.43 405.5\n-0001dc40: 362c 2d31 3233 2e30 3720 3430 352e 3536 6,-123.07 405.56\n-0001dc50: 2c2d 3231 372e 3035 2034 3035 2e35 362c ,-217.05 405.56,\n-0001dc60: 2d34 3037 2e36 3620 3430 352e 3536 2c2d -407.66 405.56,-\n-0001dc70: 3430 372e 3636 2034 3035 2e35 362c 2d34 407.66 405.56,-4\n-0001dc80: 3037 2e36 3620 3430 352e 3536 2c2d 3437 07.66 405.56,-47\n-0001dc90: 352e 3135 2034 3133 2e36 2c2d 3530 362e 5.15 413.6,-506.\n-0001dca0: 3636 2034 3638 2e35 362c 2d35 3435 2e38 66 468.56,-545.8\n-0001dcb0: 3320 3539 352e 3032 2c2d 3633 352e 3937 3 595.02,-635.97\n-0001dcc0: 2036 3434 2e33 392c 2d36 3332 2e30 3120 644.39,-632.01 \n-0001dcd0: 3739 342e 3536 2c2d 3637 312e 3537 2038 794.56,-671.57 8\n-0001dce0: 3932 2e33 342c 2d36 3937 2e33 3320 3130 92.34,-697.33 10\n-0001dcf0: 3130 2e34 322c 2d37 3130 2e35 3720 3130 10.42,-710.57 10\n-0001dd00: 3734 2e35 342c 2d37 3136 2e33 3322 2f3e 74.54,-716.33\"/>\n-0001dd10: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-0001dd20: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n-0001dd30: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n-0001dd40: 3d22 3130 3734 2e34 372c 2d37 3139 2e38 =\"1074.47,-719.8\n-0001dd50: 3420 3130 3834 2e37 342c 2d37 3137 2e32 4 1084.74,-717.2\n-0001dd60: 3220 3130 3735 2e30 382c 2d37 3132 2e38 2 1075.08,-712.8\n-0001dd70: 3620 3130 3734 2e34 372c 2d37 3139 2e38 6 1074.47,-719.8\n-0001dd80: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 4\"/>.</g>.<!-- m\n-0001dd90: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001dda0: 735f 7461 626c 6573 202d 2d3e 0a3c 6720 s_tables -->.<g \n-0001ddb0: 6964 3d22 6e6f 6465 3432 2220 636c 6173 id=\"node42\" clas\n-0001ddc0: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65 s=\"node\">.<title\n-0001ddd0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-0001dde0: 6163 735f 7461 626c 6573 3c2f 7469 746c acs_tables</titl\n-0001ddf0: 653e 0a3c 6720 6964 3d22 615f 6e6f 6465 e>.<g id=\"a_node\n-0001de00: 3432 223e 3c61 2078 6c69 6e6b 3a68 7265 42\"><a xlink:hre\n-0001de10: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65 f=\"group__module\n-0001de20: 5f5f 7461 626c 6573 2e78 6874 6d6c 2220 __tables.xhtml\" \n-0001de30: 7461 7267 6574 3d22 5f74 6f70 2220 786c target=\"_top\" xl\n-0001de40: 696e 6b3a 7469 746c 653d 2274 6162 6c65 ink:title=\"table\n-0001de50: 7322 3e0a 3c65 6c6c 6970 7365 2066 696c s\">.<ellipse fil\n-0001de60: 6c3d 2223 6666 6534 6363 2220 7374 726f l=\"#ffe4cc\" stro\n-0001de70: 6b65 3d22 626c 6163 6b22 2063 783d 2232 ke=\"black\" cx=\"2\n-0001de80: 3330 392e 3536 2220 6379 3d22 2d39 322e 309.56\" cy=\"-92.\n-0001de90: 3331 2220 7278 3d22 3330 2e33 3122 2072 31\" rx=\"30.31\" r\n-0001dea0: 793d 2231 332e 3337 222f 3e0a 3c74 6578 y=\"13.37\"/>.<tex\n-0001deb0: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n-0001dec0: 6964 646c 6522 2078 3d22 3233 3039 2e35 iddle\" x=\"2309.5\n-0001ded0: 3622 2079 3d22 2d38 392e 3831 2220 666f 6\" y=\"-89.81\" fo\n-0001dee0: 6e74 2d66 616d 696c 793d 2246 7265 6553 nt-family=\"FreeS\n-0001def0: 616e 7322 2066 6f6e 742d 7369 7a65 3d22 ans\" font-size=\"\n-0001df00: 3130 2e30 3022 3e74 6162 6c65 733c 2f74 10.00\">tables</t\n-0001df10: 6578 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c ext>.</a>.</g>.<\n-0001df20: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-0001df30: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n-0001df40: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-0001df50: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n-0001df60: 626c 6573 202d 2d3e 0a3c 6720 6964 3d22 bles -->.<g id=\"\n-0001df70: 6564 6765 3139 3022 2063 6c61 7373 3d22 edge190\" class=\"\n-0001df80: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-0001df90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001dfa0: 5f67 6d78 6c69 6226 2334 353b 2667 743b _gmxlib->\n-0001dfb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001dfc0: 6373 5f74 6162 6c65 733c 2f74 6974 6c65 cs_tables</title\n-0001dfd0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0001dfe0: 6e65 2220 7374 726f 6b65 3d22 2332 6363 ne\" stroke=\"#2cc\n-0001dff0: 6332 3822 2073 7472 6f6b 652d 6461 7368 c28\" stroke-dash\n-0001e000: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-0001e010: 3638 302e 362c 2d39 322e 3331 4331 3230 680.6,-92.31C120\n-0001e020: 392e 3939 2c2d 3932 2e33 3120 3137 3339 9.99,-92.31 1739\n-0001e030: 2e33 392c 2d39 322e 3331 2032 3236 382e .39,-92.31 2268.\n-0001e040: 3739 2c2d 3932 2e33 3122 2f3e 0a3c 706f 79,-92.31\"/>.<po\n-0001e050: 6c79 676f 6e20 6669 6c6c 3d22 2332 6363 lygon fill=\"#2cc\n-0001e060: 6332 3822 2073 7472 6f6b 653d 2223 3263 c28\" stroke=\"#2c\n-0001e070: 6363 3238 2220 706f 696e 7473 3d22 3232 cc28\" points=\"22\n-0001e080: 3638 2e39 342c 2d39 352e 3831 2032 3237 68.94,-95.81 227\n-0001e090: 382e 3934 2c2d 3932 2e33 3120 3232 3638 8.94,-92.31 2268\n-0001e0a0: 2e39 342c 2d38 382e 3831 2032 3236 382e .94,-88.81 2268.\n-0001e0b0: 3934 2c2d 3935 2e38 3122 2f3e 0a3c 2f67 94,-95.81\"/>.</g\n-0001e0c0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-0001e0d0: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n-0001e0e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001e0f0: 7372 635f 6772 6f6d 6163 735f 6577 616c src_gromacs_ewal\n-0001e100: 6420 2d2d 3e0a 3c67 2069 643d 2265 6467 d -->.<g id=\"edg\n-0001e110: 6531 3838 2220 636c 6173 733d 2265 6467 e188\" class=\"edg\n-0001e120: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-0001e130: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-0001e140: 786c 6962 2623 3435 3b26 6774 3b6d 6f64 xlib->mod\n-0001e150: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001e160: 6577 616c 643c 2f74 6974 6c65 3e0a 3c70 ewald</title>.<p\n-0001e170: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n-0001e180: 7374 726f 6b65 3d22 2332 6363 6332 3822 stroke=\"#2ccc28\"\n-0001e190: 2073 7472 6f6b 652d 6461 7368 6172 7261 stroke-dasharra\n-0001e1a0: 793d 2235 2c32 2220 643d 224d 3638 302e y=\"5,2\" d=\"M680.\n-0001e1b0: 3332 2c2d 3934 2e30 3743 3735 392e 3932 32,-94.07C759.92\n-0001e1c0: 2c2d 3936 2e35 3920 3936 342e 3535 2c2d ,-96.59 964.55,-\n-0001e1d0: 3130 362e 3620 3130 3230 2e35 362c 2d31 106.6 1020.56,-1\n-0001e1e0: 3431 2e37 3420 3131 3137 2e37 312c 2d32 41.74 1117.71,-2\n-0001e1f0: 3032 2e37 2031 3038 392e 3735 2c2d 3236 02.7 1089.75,-26\n-0001e200: 382e 3620 3131 3632 2e35 362c 2d33 3537 8.6 1162.56,-357\n-0001e210: 2e32 3220 3131 3931 2e32 312c 2d33 3932 .22 1191.21,-392\n-0001e220: 2e30 3920 3132 3239 2e34 382c 2d34 3237 .09 1229.48,-427\n-0001e230: 2e39 3220 3132 3530 2e39 362c 2d34 3439 .92 1250.96,-449\n-0001e240: 2e32 222f 3e0a 3c70 6f6c 7967 6f6e 2066 .2\"/>.<polygon f\n-0001e250: 696c 6c3d 2223 3263 6363 3238 2220 7374 ill=\"#2ccc28\" st\n-0001e260: 726f 6b65 3d22 2332 6363 6332 3822 2070 roke=\"#2ccc28\" p\n-0001e270: 6f69 6e74 733d 2231 3234 382e 3533 2c2d oints=\"1248.53,-\n-0001e280: 3435 312e 3733 2031 3235 382e 3036 2c2d 451.73 1258.06,-\n-0001e290: 3435 362e 3335 2031 3235 332e 352c 2d34 456.35 1253.5,-4\n-0001e2a0: 3436 2e37 3920 3132 3438 2e35 332c 2d34 46.79 1248.53,-4\n-0001e2b0: 3531 2e37 3322 2f3e 0a3c 2f67 3e0a 3c21 51.73\"/>.</g>.<!\n-0001e2c0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-0001e2d0: 6f6d 6163 735f 676d 786c 6962 2623 3435 omacs_gmxlib-\n-0001e2e0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001e2f0: 6772 6f6d 6163 735f 6d64 6c69 6220 2d2d gromacs_mdlib --\n-0001e300: 3e0a 3c67 2069 643d 2265 6467 6531 3839 >.<g id=\"edge189\n-0001e310: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-0001e320: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-0001e330: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n-0001e340: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001e350: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-0001e360: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b</title>.<path \n-0001e370: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n-0001e380: 6b65 3d22 2332 6363 6332 3822 2073 7472 ke=\"#2ccc28\" str\n-0001e390: 6f6b 652d 6461 7368 6172 7261 793d 2235 oke-dasharray=\"5\n-0001e3a0: 2c32 2220 643d 224d 3638 302e 3636 2c2d ,2\" d=\"M680.66,-\n-0001e3b0: 3933 2e33 3143 3733 352e 3538 2c2d 3934 93.31C735.58,-94\n-0001e3c0: 2e33 3220 3834 392e 3036 2c2d 3130 312e .32 849.06,-101.\n-0001e3d0: 3336 2039 3333 2e35 362c 2d31 3431 2e37 36 933.56,-141.7\n-0001e3e0: 3420 3130 3731 2e35 362c 2d32 3037 2e36 4 1071.56,-207.6\n-0001e3f0: 3820 3130 3135 2e35 362c 2d31 3933 2e31 8 1015.56,-193.1\n-0001e400: 3420 3130 3135 2e35 362c 2d32 3137 2e30 4 1015.56,-217.0\n-0001e410: 3520 3130 3135 2e35 362c 2d33 3434 2e37 5 1015.56,-344.7\n-0001e420: 3920 3130 3135 2e35 362c 2d33 3434 2e37 9 1015.56,-344.7\n-0001e430: 3920 3130 3135 2e35 362c 2d33 3434 2e37 9 1015.56,-344.7\n-0001e440: 3920 3130 3135 2e35 362c 2d34 3436 2e36 9 1015.56,-446.6\n-0001e450: 3420 3130 3431 2e36 372c 2d34 3838 2e30 4 1041.67,-488.0\n-0001e460: 3620 3131 3235 2e35 362c 2d35 3435 2e38 6 1125.56,-545.8\n-0001e470: 3320 3132 3232 2e37 332c 2d36 3132 2e37 3 1222.73,-612.7\n-0001e480: 3520 3132 3936 2e38 332c 2d35 3037 2e36 5 1296.83,-507.6\n-0001e490: 3320 3133 3838 2e35 362c 2d35 3831 2e38 3 1388.56,-581.8\n-0001e4a0: 3320 3134 3031 2e31 312c 2d35 3931 2e39 3 1401.11,-591.9\n-0001e4b0: 3820 3134 3735 2e31 342c 2d38 3133 2e35 8 1475.14,-813.5\n-0001e4c0: 3420 3134 3933 2e38 332c 2d38 3835 2e39 4 1493.83,-885.9\n-0001e4d0: 3522 2f3e 0a3c 706f 6c79 676f 6e20 6669 5\"/>.<polygon fi\n-0001e4e0: 6c6c 3d22 2332 6363 6332 3822 2073 7472 ll=\"#2ccc28\" str\n-0001e4f0: 6f6b 653d 2223 3263 6363 3238 2220 706f oke=\"#2ccc28\" po\n-0001e500: 696e 7473 3d22 3134 3930 2e34 382c 2d38 ints=\"1490.48,-8\n-0001e510: 3836 2e39 3920 3134 3936 2e32 362c 2d38 86.99 1496.26,-8\n-0001e520: 3935 2e38 3720 3134 3937 2e32 382c 2d38 95.87 1497.28,-8\n-0001e530: 3835 2e33 3320 3134 3930 2e34 382c 2d38 85.33 1490.48,-8\n-0001e540: 3836 2e39 3922 2f3e 0a3c 2f67 3e0a 3c21 86.99\"/>.</g>.<!\n-0001e550: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-0001e560: 6f6d 6163 735f 6d64 7479 7065 7326 2334 omacs_mdtypes\n-0001e570: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001e580: 5f67 726f 6d61 6373 5f66 696c 6569 6f20 _gromacs_fileio \n-0001e590: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-0001e5a0: 3936 2220 636c 6173 733d 2265 6467 6522 96\" class=\"edge\"\n-0001e5b0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-0001e5c0: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n-0001e5d0: 7065 7326 2334 353b 2667 743b 6d6f 6475 pes->modu\n-0001e5e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n-0001e5f0: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70 ileio</title>.<p\n-0001e600: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n-0001e610: 7374 726f 6b65 3d22 2332 6363 6332 3822 stroke=\"#2ccc28\"\n-0001e620: 2073 7472 6f6b 652d 6461 7368 6172 7261 stroke-dasharra\n-0001e630: 793d 2235 2c32 2220 643d 224d 3131 3335 y=\"5,2\" d=\"M1135\n-0001e640: 2e38 352c 2d37 3333 2e35 4331 3134 382e .85,-733.5C1148.\n-0001e650: 3231 2c2d 3734 382e 3439 2031 3136 312e 21,-748.49 1161.\n-0001e660: 3633 2c2d 3737 352e 3432 2031 3135 322e 63,-775.42 1152.\n-0001e670: 3536 2c2d 3739 372e 3331 2031 3134 332e 56,-797.31 1143.\n-0001e680: 392c 2d38 3138 2e32 3220 3131 3239 2e37 9,-818.22 1129.7\n-0001e690: 342c 2d38 3134 2e39 3220 3131 3136 2e35 4,-814.92 1116.5\n-0001e6a0: 362c 2d38 3333 2e33 3120 3130 3830 2e32 6,-833.31 1080.2\n-0001e6b0: 372c 2d38 3833 2e39 3620 3130 3638 2e37 7,-883.96 1068.7\n-0001e6c0: 312c 2d38 3938 2e33 3720 3130 3534 2e35 1,-898.37 1054.5\n-0001e6d0: 362c 2d39 3539 2e30 3520 3130 3531 2e38 6,-959.05 1051.8\n-0001e6e0: 352c 2d39 3730 2e36 3820 3130 3438 2e38 5,-970.68 1048.8\n-0001e6f0: 382c 2d39 3735 2e34 3220 3130 3534 2e35 8,-975.42 1054.5\n-0001e700: 362c 2d39 3835 2e39 3220 3130 3632 2e38 6,-985.92 1062.8\n-0001e710: 372c 2d31 3030 312e 3239 2031 3037 382e 7,-1001.29 1078.\n-0001e720: 342c 2d31 3031 322e 3536 2031 3039 322e 4,-1012.56 1092.\n-0001e730: 3331 2c2d 3130 3230 2e33 3422 2f3e 0a3c 31,-1020.34\"/>.<\n-0001e740: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-0001e750: 6363 6332 3822 2073 7472 6f6b 653d 2223 ccc28\" stroke=\"#\n-0001e760: 3263 6363 3238 2220 706f 696e 7473 3d22 2ccc28\" points=\"\n-0001e770: 3130 3931 2e30 392c 2d31 3032 332e 3635 1091.09,-1023.65\n-0001e780: 2031 3130 312e 3537 2c2d 3130 3235 2e31 1101.57,-1025.1\n-0001e790: 3820 3130 3934 2e33 332c 2d31 3031 372e 8 1094.33,-1017.\n-0001e7a0: 3435 2031 3039 312e 3039 2c2d 3130 3233 45 1091.09,-1023\n-0001e7b0: 2e36 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d .65\"/>.</g>.<!--\n-0001e7c0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-0001e7d0: 6163 735f 6d64 7479 7065 7326 2334 353b acs_mdtypes-\n-0001e7e0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001e7f0: 726f 6d61 6373 5f64 6f6d 6465 6320 2d2d romacs_domdec --\n-0001e800: 3e0a 3c67 2069 643d 2265 6467 6531 3932 >.<g id=\"edge192\n-0001e810: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-0001e820: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-0001e830: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n-0001e840: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0001e850: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n-0001e860: 6465 633c 2f74 6974 6c65 3e0a 3c70 6174 dec</title>.<pat\n-0001e870: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n-0001e880: 726f 6b65 3d22 7265 6422 2064 3d22 4d31 roke=\"red\" d=\"M1\n-0001e890: 3039 372e 3737 2c2d 3731 302e 3336 4331 097.77,-710.36C1\n-0001e8a0: 3037 372e 3536 2c2d 3730 302e 3838 2031 077.56,-700.88 1\n-0001e8b0: 3034 382e 3839 2c2d 3638 362e 3235 2031 048.89,-686.25 1\n-0001e8c0: 3032 382e 342c 2d36 3735 2e30 3522 2f3e 028.4,-675.05\"/>\n-0001e8d0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-0001e8e0: 7265 6422 2073 7472 6f6b 653d 2272 6564 red\" stroke=\"red\n-0001e8f0: 2220 706f 696e 7473 3d22 3130 3330 2e30 \" points=\"1030.0\n-0001e900: 362c 2d36 3731 2e39 3720 3130 3139 2e36 6,-671.97 1019.6\n-0001e910: 322c 2d36 3730 2e31 3820 3130 3236 2e36 2,-670.18 1026.6\n-0001e920: 372c 2d36 3738 2e30 3920 3130 3330 2e30 7,-678.09 1030.0\n-0001e930: 362c 2d36 3731 2e39 3722 2f3e 0a3c 2f67 6,-671.97\"/>.</g\n-0001e940: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-0001e950: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n-0001e960: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0001e970: 5f73 7263 5f67 726f 6d61 6373 5f67 7075 _src_gromacs_gpu\n-0001e980: 5f75 7469 6c73 202d 2d3e 0a3c 6720 6964 _utils -->.<g id\n-0001e990: 3d22 6564 6765 3139 3122 2063 6c61 7373 =\"edge191\" class\n-0001e9a0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+0001a9c0: 5f6d 6174 6820 2d2d 3e0a 3c67 2069 643d _math -->.<g id=\n+0001a9d0: 226e 6f64 6534 3422 2063 6c61 7373 3d22 \"node44\" class=\"\n+0001a9e0: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f node\">.<title>mo\n+0001a9f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001aa00: 5f6d 6174 683c 2f74 6974 6c65 3e0a 3c65 _math</title>.<e\n+0001aa10: 6c6c 6970 7365 2066 696c 6c3d 2223 6266 llipse fill=\"#bf\n+0001aa20: 6266 6266 2220 7374 726f 6b65 3d22 626c bfbf\" stroke=\"bl\n+0001aa30: 6163 6b22 2063 783d 2235 3333 2e35 3622 ack\" cx=\"533.56\"\n+0001aa40: 2063 793d 222d 3932 2e33 3122 2072 783d cy=\"-92.31\" rx=\n+0001aa50: 2232 3722 2072 793d 2231 332e 3337 222f \"27\" ry=\"13.37\"/\n+0001aa60: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63 >.<text text-anc\n+0001aa70: 686f 723d 226d 6964 646c 6522 2078 3d22 hor=\"middle\" x=\"\n+0001aa80: 3533 332e 3536 2220 793d 222d 3839 2e38 533.56\" y=\"-89.8\n+0001aa90: 3122 2066 6f6e 742d 6661 6d69 6c79 3d22 1\" font-family=\"\n+0001aaa0: 4672 6565 5361 6e73 2220 666f 6e74 2d73 FreeSans\" font-s\n+0001aab0: 697a 653d 2231 302e 3030 223e 6d61 7468 ize=\"10.00\">math\n+0001aac0: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d </text>.</g>.<!-\n+0001aad0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+0001aae0: 6d61 6373 5f67 7075 5f75 7469 6c73 2623 macs_gpu_utils&#\n+0001aaf0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001ab00: 635f 6772 6f6d 6163 735f 6d61 7468 202d c_gromacs_math -\n+0001ab10: 2d3e 0a3c 6720 6964 3d22 6564 6765 3136 ->.<g id=\"edge16\n+0001ab20: 3622 2063 6c61 7373 3d22 6564 6765 223e 6\" class=\"edge\">\n+0001ab30: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0001ab40: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n+0001ab50: 7469 6c73 2623 3435 3b26 6774 3b6d 6f64 tils->mod\n+0001ab60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001ab70: 6d61 7468 3c2f 7469 746c 653e 0a3c 7061 math</title>.<pa\n+0001ab80: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n+0001ab90: 7472 6f6b 653d 2223 3263 6363 3238 2220 troke=\"#2ccc28\" \n+0001aba0: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+0001abb0: 3d22 352c 3222 2064 3d22 4d33 3739 2e38 =\"5,2\" d=\"M379.8\n+0001abc0: 342c 2d31 3032 332e 3139 4334 3035 2e38 4,-1023.19C405.8\n+0001abd0: 342c 2d31 3030 372e 3539 2034 3535 2e32 4,-1007.59 455.2\n+0001abe0: 342c 2d39 3738 2e39 3620 3439 392e 3536 4,-978.96 499.56\n+0001abf0: 2c2d 3935 392e 3035 2036 3530 2e33 332c ,-959.05 650.33,\n+0001ac00: 2d38 3931 2e33 3220 3639 322e 322c 2d38 -891.32 692.2,-8\n+0001ac10: 3833 2e39 2038 3439 2e35 362c 2d38 3333 83.9 849.56,-833\n+0001ac20: 2e33 3120 3934 362e 3738 2c2d 3830 322e .31 946.78,-802.\n+0001ac30: 3036 2039 3731 2e36 312c 2d37 3935 2e37 06 971.61,-795.7\n+0001ac40: 2031 3037 302e 3536 2c2d 3737 302e 3434 1070.56,-770.44\n+0001ac50: 2031 3134 302e 3736 2c2d 3735 322e 3532 1140.76,-752.52\n+0001ac60: 2031 3135 392e 3933 2c2d 3735 342e 3438 1159.93,-754.48\n+0001ac70: 2031 3232 392e 3536 2c2d 3733 342e 3434 1229.56,-734.44\n+0001ac80: 2031 3339 312e 3632 2c2d 3638 372e 3820 1391.62,-687.8 \n+0001ac90: 3138 3230 2e30 332c 2d35 3935 2e35 3720 1820.03,-595.57 \n+0001aca0: 3139 3435 2e35 362c 2d34 3832 2e39 3620 1945.56,-482.96 \n+0001acb0: 3230 3031 2e35 332c 2d34 3332 2e37 3520 2001.53,-432.75 \n+0001acc0: 3139 3636 2e35 312c 2d33 3834 2e36 3120 1966.51,-384.61 \n+0001acd0: 3230 3138 2e35 362c 2d33 3330 2e33 3520 2018.56,-330.35 \n+0001ace0: 3231 3238 2e39 2c2d 3231 352e 3334 2032 2128.9,-215.34 2\n+0001acf0: 3433 342e 3835 2c2d 3235 352e 3833 2032 434.85,-255.83 2\n+0001ad00: 3332 332e 3536 2c2d 3134 312e 3734 2032 323.56,-141.74 2\n+0001ad10: 3239 352e 3435 2c2d 3131 322e 3932 2039 295.45,-112.92 9\n+0001ad20: 3134 2e38 2c2d 3130 362e 3937 2038 3734 14.8,-106.97 874\n+0001ad30: 2e35 362c 2d31 3035 2e37 3420 3736 342e .56,-105.74 764.\n+0001ad40: 3031 2c2d 3130 322e 3335 2036 3333 2e33 01,-102.35 633.3\n+0001ad50: 342c 2d39 372e 3239 2035 3730 2e36 392c 4,-97.29 570.69,\n+0001ad60: 2d39 342e 3822 2f3e 0a3c 706f 6c79 676f -94.8\"/>.<polygo\n+0001ad70: 6e20 6669 6c6c 3d22 2332 6363 6332 3822 n fill=\"#2ccc28\"\n+0001ad80: 2073 7472 6f6b 653d 2223 3263 6363 3238 stroke=\"#2ccc28\n+0001ad90: 2220 706f 696e 7473 3d22 3537 302e 3635 \" points=\"570.65\n+0001ada0: 2c2d 3931 2e33 2035 3630 2e35 322c 2d39 ,-91.3 560.52,-9\n+0001adb0: 342e 3339 2035 3730 2e33 372c 2d39 382e 4.39 570.37,-98.\n+0001adc0: 3239 2035 3730 2e36 352c 2d39 312e 3322 29 570.65,-91.3\"\n+0001add0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+0001ade0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001adf0: 746f 706f 6c6f 6779 202d 2d3e 0a3c 6720 topology -->.<g \n+0001ae00: 6964 3d22 6e6f 6465 3238 2220 636c 6173 id=\"node28\" clas\n+0001ae10: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65 s=\"node\">.<title\n+0001ae20: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0001ae30: 6163 735f 746f 706f 6c6f 6779 3c2f 7469 acs_topology</ti\n+0001ae40: 746c 653e 0a3c 656c 6c69 7073 6520 6669 tle>.<ellipse fi\n+0001ae50: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+0001ae60: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n+0001ae70: 3232 3937 2e35 3622 2063 793d 222d 3937 2297.56\" cy=\"-97\n+0001ae80: 322e 3439 2220 7278 3d22 3337 2e34 3522 2.49\" rx=\"37.45\"\n+0001ae90: 2072 793d 2231 332e 3337 222f 3e0a 3c74 ry=\"13.37\"/>.<t\n+0001aea0: 6578 7420 7465 7874 2d61 6e63 686f 723d ext text-anchor=\n+0001aeb0: 226d 6964 646c 6522 2078 3d22 3232 3937 \"middle\" x=\"2297\n+0001aec0: 2e35 3622 2079 3d22 2d39 3639 2e39 3922 .56\" y=\"-969.99\"\n+0001aed0: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672 font-family=\"Fr\n+0001aee0: 6565 5361 6e73 2220 666f 6e74 2d73 697a eeSans\" font-siz\n+0001aef0: 653d 2231 302e 3030 223e 746f 706f 6c6f e=\"10.00\">topolo\n+0001af00: 6779 3c2f 7465 7874 3e0a 3c2f 673e 0a3c gy</text>.</g>.<\n+0001af10: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0001af20: 726f 6d61 6373 5f74 6f70 6f6c 6f67 7926 romacs_topology&\n+0001af30: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001af40: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+0001af50: 6573 202d 2d3e 0a3c 6720 6964 3d22 6564 es -->.<g id=\"ed\n+0001af60: 6765 3136 3822 2063 6c61 7373 3d22 6564 ge168\" class=\"ed\n+0001af70: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+0001af80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0001af90: 6f70 6f6c 6f67 7926 2334 353b 2667 743b opology->\n+0001afa0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001afb0: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n+0001afc0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0001afd0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+0001afe0: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+0001aff0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0001b000: 4d32 3236 302e 3537 2c2d 3936 392e 3839 M2260.57,-969.89\n+0001b010: 4332 3036 352e 3331 2c2d 3936 312e 3436 C2065.31,-961.46\n+0001b020: 2031 3135 352e 3037 2c2d 3932 322e 3136 1155.07,-922.16\n+0001b030: 2039 3335 2e33 372c 2d39 3132 2e36 3822 935.37,-912.68\"\n+0001b040: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+0001b050: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+0001b060: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n+0001b070: 7473 3d22 3933 352e 3238 2c2d 3930 392e ts=\"935.28,-909.\n+0001b080: 3137 2039 3235 2e31 342c 2d39 3132 2e32 17 925.14,-912.2\n+0001b090: 3420 3933 342e 3938 2c2d 3931 362e 3137 4 934.98,-916.17\n+0001b0a0: 2039 3335 2e32 382c 2d39 3039 2e31 3722 935.28,-909.17\"\n+0001b0b0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+0001b0c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001b0d0: 746f 706f 6c6f 6779 2623 3435 3b26 6774 topology->\n+0001b0e0: 3b6d 6f64 756c 655f 7372 635f 7465 7374 ;module_src_test\n+0001b0f0: 7574 696c 7320 2d2d 3e0a 3c67 2069 643d utils -->.<g id=\n+0001b100: 2265 6467 6531 3639 2220 636c 6173 733d \"edge169\" class=\n+0001b110: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+0001b120: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001b130: 735f 746f 706f 6c6f 6779 2623 3435 3b26 s_topology-&\n+0001b140: 6774 3b6d 6f64 756c 655f 7372 635f 7465 gt;module_src_te\n+0001b150: 7374 7574 696c 733c 2f74 6974 6c65 3e0a stutils</title>.\n+0001b160: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n+0001b170: 2220 7374 726f 6b65 3d22 7265 6422 2064 \" stroke=\"red\" d\n+0001b180: 3d22 4d32 3332 332e 3634 2c2d 3936 322e =\"M2323.64,-962.\n+0001b190: 3736 4332 3335 352e 3232 2c2d 3935 322e 76C2355.22,-952.\n+0001b1a0: 3220 3234 3038 2e35 362c 2d39 3334 2e33 2 2408.56,-934.3\n+0001b1b0: 3620 3234 3433 2e39 322c 2d39 3232 2e35 6 2443.92,-922.5\n+0001b1c0: 3422 2f3e 0a3c 706f 6c79 676f 6e20 6669 4\"/>.<polygon fi\n+0001b1d0: 6c6c 3d22 7265 6422 2073 7472 6f6b 653d ll=\"red\" stroke=\n+0001b1e0: 2272 6564 2220 706f 696e 7473 3d22 3234 \"red\" points=\"24\n+0001b1f0: 3435 2e34 352c 2d39 3235 2e37 3120 3234 45.45,-925.71 24\n+0001b200: 3533 2e38 332c 2d39 3139 2e32 3220 3234 53.83,-919.22 24\n+0001b210: 3433 2e32 332c 2d39 3139 2e30 3820 3234 43.23,-919.08 24\n+0001b220: 3435 2e34 352c 2d39 3235 2e37 3122 2f3e 45.45,-925.71\"/>\n+0001b230: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+0001b240: 655f 7372 635f 6772 6f6d 6163 735f 6d6f e_src_gromacs_mo\n+0001b250: 6475 6c61 7273 696d 756c 6174 6f72 2623 dularsimulator&#\n+0001b260: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001b270: 635f 6772 6f6d 6163 735f 6e62 6e78 6d20 c_gromacs_nbnxm \n+0001b280: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+0001b290: 3831 2220 636c 6173 733d 2265 6467 6522 81\" class=\"edge\"\n+0001b2a0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0001b2b0: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n+0001b2c0: 6c61 7273 696d 756c 6174 6f72 2623 3435 larsimulator-\n+0001b2d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001b2e0: 6772 6f6d 6163 735f 6e62 6e78 6d3c 2f74 gromacs_nbnxm</t\n+0001b2f0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0001b300: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0001b310: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+0001b320: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+0001b330: 643d 224d 3132 3436 2e30 332c 2d34 3135 d=\"M1246.03,-415\n+0001b340: 2e34 3643 3131 3933 2e30 322c 2d34 3234 .46C1193.02,-424\n+0001b350: 2e34 3520 3131 3132 2e39 392c 2d34 3430 .45 1112.99,-440\n+0001b360: 2e30 3620 3130 3836 2e35 362c 2d34 3536 .06 1086.56,-456\n+0001b370: 2e30 3920 3130 3733 2e31 322c 2d34 3634 .09 1073.12,-464\n+0001b380: 2e32 3420 3130 3736 2e30 312c 2d34 3733 .24 1076.01,-473\n+0001b390: 2e33 3620 3130 3633 2e35 362c 2d34 3832 .36 1063.56,-482\n+0001b3a0: 2e39 3620 3130 3132 2e37 332c 2d35 3232 .96 1012.73,-522\n+0001b3b0: 2e31 3420 3939 312e 3338 2c2d 3531 372e .14 991.38,-517.\n+0001b3c0: 3937 2039 3333 2e35 362c 2d35 3435 2e38 97 933.56,-545.8\n+0001b3d0: 3320 3738 332e 3839 2c2d 3631 372e 3934 3 783.89,-617.94\n+0001b3e0: 2036 3938 2e34 322c 2d35 3736 2e33 3220 698.42,-576.32 \n+0001b3f0: 3539 362e 3536 2c2d 3730 372e 3537 2035 596.56,-707.57 5\n+0001b400: 3735 2e36 342c 2d37 3334 2e35 3320 3538 75.64,-734.53 58\n+0001b410: 312e 3536 2c2d 3734 382e 3735 2035 3831 1.56,-748.75 581\n+0001b420: 2e35 362c 2d37 3832 2e38 3820 3538 312e .56,-782.88 581.\n+0001b430: 3536 2c2d 3834 372e 3735 2035 3831 2e35 56,-847.75 581.5\n+0001b440: 362c 2d38 3437 2e37 3520 3538 312e 3536 6,-847.75 581.56\n+0001b450: 2c2d 3834 372e 3735 2035 3831 2e35 362c ,-847.75 581.56,\n+0001b460: 2d38 3835 2e32 3520 3536 342e 3732 2c2d -885.25 564.72,-\n+0001b470: 3932 362e 3138 2035 3532 2e38 392c 2d39 926.18 552.89,-9\n+0001b480: 3530 2e33 222f 3e0a 3c70 6f6c 7967 6f6e 50.3\"/>.<polygon\n+0001b490: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n+0001b4a0: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n+0001b4b0: 2070 6f69 6e74 733d 2235 3439 2e37 352c points=\"549.75,\n+0001b4c0: 2d39 3438 2e37 3620 3534 382e 3335 2c2d -948.76 548.35,-\n+0001b4d0: 3935 392e 3236 2035 3535 2e39 392c 2d39 959.26 555.99,-9\n+0001b4e0: 3531 2e39 3320 3534 392e 3735 2c2d 3934 51.93 549.75,-94\n+0001b4f0: 382e 3736 222f 3e0a 3c2f 673e 0a3c 212d 8.76\"/>.</g>.<!-\n+0001b500: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+0001b510: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n+0001b520: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n+0001b530: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001b540: 5f63 6f6d 6d61 6e64 6c69 6e65 202d 2d3e _commandline -->\n+0001b550: 0a3c 6720 6964 3d22 6564 6765 3137 3822 .<g id=\"edge178\"\n+0001b560: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+0001b570: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001b580: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n+0001b590: 7369 6d75 6c61 746f 7226 2334 353b 2667 simulator-&g\n+0001b5a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001b5b0: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n+0001b5c0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n+0001b5d0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n+0001b5e0: 653d 2262 6c61 636b 2220 7374 726f 6b65 e=\"black\" stroke\n+0001b5f0: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+0001b600: 2064 3d22 4d31 3332 332e 3539 2c2d 3431 d=\"M1323.59,-41\n+0001b610: 382e 3838 4331 3338 382e 3231 2c2d 3434 8.88C1388.21,-44\n+0001b620: 362e 3339 2031 3534 372e 3534 2c2d 3532 6.39 1547.54,-52\n+0001b630: 332e 3837 2031 3631 382e 3536 2c2d 3634 3.87 1618.56,-64\n+0001b640: 342e 3720 3136 3237 2e38 342c 2d36 3630 4.7 1627.84,-660\n+0001b650: 2e35 2031 3633 302e 362c 2d36 3831 2e32 .5 1630.6,-681.2\n+0001b660: 3220 3136 3331 2e31 372c 2d36 3936 2e39 2 1631.17,-696.9\n+0001b670: 3322 2f3e 0a3c 706f 6c79 676f 6e20 6669 3\"/>.<polygon fi\n+0001b680: 6c6c 3d22 626c 6163 6b22 2073 7472 6f6b ll=\"black\" strok\n+0001b690: 653d 2262 6c61 636b 2220 706f 696e 7473 e=\"black\" points\n+0001b6a0: 3d22 3136 3237 2e36 372c 2d36 3937 2e33 =\"1627.67,-697.3\n+0001b6b0: 3720 3136 3331 2e32 362c 2d37 3037 2e33 7 1631.26,-707.3\n+0001b6c0: 3420 3136 3334 2e36 372c 2d36 3937 2e33 4 1634.67,-697.3\n+0001b6d0: 3120 3136 3237 2e36 372c 2d36 3937 2e33 1 1627.67,-697.3\n+0001b6e0: 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 7\"/>.</g>.<!-- m\n+0001b6f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001b700: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n+0001b710: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n+0001b720: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0001b730: 7479 7065 7320 2d2d 3e0a 3c67 2069 643d types -->.<g id=\n+0001b740: 2265 6467 6531 3733 2220 636c 6173 733d \"edge173\" class=\n+0001b750: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+0001b760: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001b770: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n+0001b780: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n+0001b790: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0001b7a0: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types</title>.<p\n+0001b7b0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n+0001b7c0: 7374 726f 6b65 3d22 7265 6422 2064 3d22 stroke=\"red\" d=\"\n+0001b7d0: 4d31 3234 382e 3035 2c2d 3431 352e 3839 M1248.05,-415.89\n+0001b7e0: 4331 3231 332e 3637 2c2d 3432 332e 3136 C1213.67,-423.16\n+0001b7f0: 2031 3136 362e 3839 2c2d 3433 352e 3832 1166.89,-435.82\n+0001b800: 2031 3132 392e 3536 2c2d 3435 362e 3039 1129.56,-456.09\n+0001b810: 2031 3039 312e 3933 2c2d 3437 362e 3532 1091.93,-476.52\n+0001b820: 2031 3038 362e 3436 2c2d 3438 382e 3331 1086.46,-488.31\n+0001b830: 2031 3035 362e 3536 2c2d 3531 382e 3936 1056.56,-518.96\n+0001b840: 2031 3034 352e 3738 2c2d 3533 302e 3031 1045.78,-530.01\n+0001b850: 2031 3034 352e 3037 2c2d 3533 342e 3533 1045.07,-534.53\n+0001b860: 2031 3033 342e 3536 2c2d 3534 352e 3833 1034.56,-545.83\n+0001b870: 2031 3031 382e 3731 2c2d 3536 322e 3836 1018.71,-562.86\n+0001b880: 2031 3031 332e 3433 2c2d 3536 352e 3831 1013.43,-565.81\n+0001b890: 2039 3936 2e35 362c 2d35 3831 2e38 3320 996.56,-581.83 \n+0001b8a0: 3933 372e 3832 2c2d 3633 372e 3633 2039 937.82,-637.63 9\n+0001b8b0: 3136 2e33 372c 2d36 3435 2e32 3820 3836 16.37,-645.28 86\n+0001b8c0: 342e 3536 2c2d 3730 372e 3537 2038 3230 4.56,-707.57 820\n+0001b8d0: 2e31 392c 2d37 3630 2e39 3220 3739 382e .19,-760.92 798.\n+0001b8e0: 3737 2c2d 3739 392e 3032 2038 3331 2e35 77,-799.02 831.5\n+0001b8f0: 362c 2d38 3630 2e31 3820 3833 382e 3332 6,-860.18 838.32\n+0001b900: 2c2d 3837 322e 3738 2038 3439 2e37 382c ,-872.78 849.78,\n+0001b910: 2d38 3833 2e35 3820 3836 302e 3538 2c2d -883.58 860.58,-\n+0001b920: 3839 312e 3736 222f 3e0a 3c70 6f6c 7967 891.76\"/>.<polyg\n+0001b930: 6f6e 2066 696c 6c3d 2272 6564 2220 7374 on fill=\"red\" st\n+0001b940: 726f 6b65 3d22 7265 6422 2070 6f69 6e74 roke=\"red\" point\n+0001b950: 733d 2238 3538 2e38 322c 2d38 3934 2e38 s=\"858.82,-894.8\n+0001b960: 2038 3639 2c2d 3839 372e 3735 2038 3632 869,-897.75 862\n+0001b970: 2e38 372c 2d38 3839 2e31 2038 3538 2e38 .87,-889.1 858.8\n+0001b980: 322c 2d38 3934 2e38 222f 3e0a 3c2f 673e 2,-894.8\"/>.</g>\n+0001b990: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+0001b9a0: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n+0001b9b0: 7369 6d75 6c61 746f 7226 2334 353b 2667 simulator-&g\n+0001b9c0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001b9d0: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n+0001b9e0: 656e 7420 2d2d 3e0a 3c67 2069 643d 2265 ent -->.<g id=\"e\n+0001b9f0: 6467 6531 3835 2220 636c 6173 733d 2265 dge185\" class=\"e\n+0001ba00: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+0001ba10: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001ba20: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n+0001ba30: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001ba40: 7372 635f 6772 6f6d 6163 735f 7461 736b src_gromacs_task\n+0001ba50: 6173 7369 676e 6d65 6e74 3c2f 7469 746c assignment</titl\n+0001ba60: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0001ba70: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n+0001ba80: 2220 643d 224d 3132 3339 2e32 382c 2d33 \" d=\"M1239.28,-3\n+0001ba90: 3939 2e38 3243 3131 3239 2e35 332c 2d33 99.82C1129.53,-3\n+0001baa0: 3838 2e34 3420 3838 372e 3631 2c2d 3336 88.44 887.61,-36\n+0001bab0: 332e 3335 2037 3732 2e32 312c 2d33 3531 3.35 772.21,-351\n+0001bac0: 2e33 3922 2f3e 0a3c 706f 6c79 676f 6e20 .39\"/>.<polygon \n+0001bad0: 6669 6c6c 3d22 7265 6422 2073 7472 6f6b fill=\"red\" strok\n+0001bae0: 653d 2272 6564 2220 706f 696e 7473 3d22 e=\"red\" points=\"\n+0001baf0: 3737 322e 3433 2c2d 3334 372e 3839 2037 772.43,-347.89 7\n+0001bb00: 3632 2e31 322c 2d33 3530 2e33 3420 3737 62.12,-350.34 77\n+0001bb10: 312e 372c 2d33 3534 2e38 3520 3737 322e 1.7,-354.85 772.\n+0001bb20: 3433 2c2d 3334 372e 3839 222f 3e0a 3c2f 43,-347.89\"/>.</\n+0001bb30: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0001bb40: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c rc_gromacs_modul\n+0001bb50: 6172 7369 6d75 6c61 746f 7226 2334 353b arsimulator-\n+0001bb60: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001bb70: 726f 6d61 6373 5f6d 6472 756e 202d 2d3e romacs_mdrun -->\n+0001bb80: 0a3c 6720 6964 3d22 6564 6765 3137 3722 .<g id=\"edge177\"\n+0001bb90: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+0001bba0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001bbb0: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n+0001bbc0: 7369 6d75 6c61 746f 7226 2334 353b 2667 simulator-&g\n+0001bbd0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001bbe0: 6d61 6373 5f6d 6472 756e 3c2f 7469 746c macs_mdrun</titl\n+0001bbf0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0001bc00: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n+0001bc10: 2220 643d 224d 3132 3531 2e37 312c 2d34 \" d=\"M1251.71,-4\n+0001bc20: 3136 2e37 3143 3132 3034 2e36 382c 2d34 16.71C1204.68,-4\n+0001bc30: 3235 2e37 3420 3131 3238 2e32 312c 2d34 25.74 1128.21,-4\n+0001bc40: 3430 2e34 3720 3130 3632 2e35 362c 2d34 40.47 1062.56,-4\n+0001bc50: 3536 2e30 3920 3130 3537 2e32 342c 2d34 56.09 1057.24,-4\n+0001bc60: 3537 2e33 3620 3130 3531 2e35 392c 2d34 57.36 1051.59,-4\n+0001bc70: 3538 2e38 3220 3130 3436 2c2d 3436 302e 58.82 1046,-460.\n+0001bc80: 3239 222f 3e0a 3c70 6f6c 7967 6f6e 2066 29\"/>.<polygon f\n+0001bc90: 696c 6c3d 2272 6564 2220 7374 726f 6b65 ill=\"red\" stroke\n+0001bca0: 3d22 7265 6422 2070 6f69 6e74 733d 2231 =\"red\" points=\"1\n+0001bcb0: 3034 342e 3836 2c2d 3435 362e 3937 2031 044.86,-456.97 1\n+0001bcc0: 3033 362e 3038 2c2d 3436 322e 3839 2031 036.08,-462.89 1\n+0001bcd0: 3034 362e 3634 2c2d 3436 332e 3734 2031 046.64,-463.74 1\n+0001bce0: 3034 342e 3836 2c2d 3435 362e 3937 222f 044.86,-456.97\"/\n+0001bcf0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+0001bd00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0001bd10: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n+0001bd20: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001bd30: 7263 5f67 726f 6d61 6373 5f6c 6973 7465 rc_gromacs_liste\n+0001bd40: 645f 666f 7263 6573 202d 2d3e 0a3c 6720 d_forces -->.<g \n+0001bd50: 6964 3d22 6564 6765 3138 3022 2063 6c61 id=\"edge180\" cla\n+0001bd60: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0001bd70: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0001bd80: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n+0001bd90: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n+0001bda0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001bdb0: 5f6c 6973 7465 645f 666f 7263 6573 3c2f _listed_forces</\n+0001bdc0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001bdd0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001bde0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+0001bdf0: 2d64 6173 6861 7272 6179 3d22 352c 3222 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2e38 362c 2d31 3737 2e31 3520 3731 51.86,-177.15 71\n+0001bef0: 372e 3339 2c2d 3136 372e 3822 2f3e 0a3c 7.39,-167.8\"/>.<\n+0001bf00: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+0001bf10: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+0001bf20: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+0001bf30: 3731 382e 3139 2c2d 3136 342e 3339 2037 718.19,-164.39 7\n+0001bf40: 3037 2e36 332c 2d31 3635 2e31 3720 3731 07.63,-165.17 71\n+0001bf50: 362e 3337 2c2d 3137 312e 3135 2037 3138 6.37,-171.15 718\n+0001bf60: 2e31 392c 2d31 3634 2e33 3922 2f3e 0a3c .19,-164.39\"/>.<\n+0001bf70: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+0001bf80: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n+0001bf90: 6c61 7273 696d 756c 6174 6f72 2623 3435 larsimulator-\n+0001bfa0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001bfb0: 6772 6f6d 6163 735f 6577 616c 6420 2d2d gromacs_ewald --\n+0001bfc0: 3e0a 3c67 2069 643d 2265 6467 6531 3739 >.<g id=\"edge179\n+0001bfd0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+0001bfe0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+0001bff0: 635f 6772 6f6d 6163 735f 6d6f 6475 6c61 c_gromacs_modula\n+0001c000: 7273 696d 756c 6174 6f72 2623 3435 3b26 rsimulator-&\n+0001c010: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001c020: 6f6d 6163 735f 6577 616c 643c 2f74 6974 omacs_ewald</tit\n+0001c030: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0001c040: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n+0001c050: 6422 2064 3d22 4d31 3236 342e 3434 2c2d d\" d=\"M1264.44,-\n+0001c060: 3431 382e 3438 4331 3234 302e 3337 2c2d 418.48C1240.37,-\n+0001c070: 3432 372e 3333 2031 3230 362e 3536 2c2d 427.33 1206.56,-\n+0001c080: 3434 302e 3835 2031 3137 382e 3536 2c2d 440.85 1178.56,-\n+0001c090: 3435 362e 3039 2031 3133 352e 3339 2c2d 456.09 1135.39,-\n+0001c0a0: 3437 392e 3539 2031 3132 352e 3436 2c2d 479.59 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_compat</title>.\n+0001c280: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n+0001c290: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+0001c2a0: 6322 2073 7472 6f6b 652d 6461 7368 6172 c\" stroke-dashar\n+0001c2b0: 7261 793d 2235 2c32 2220 643d 224d 3132 ray=\"5,2\" d=\"M12\n+0001c2c0: 3931 2e32 2c2d 3339 332e 3137 4331 3238 91.2,-393.17C128\n+0001c2d0: 352e 3432 2c2d 3337 372e 3538 2031 3237 5.42,-377.58 127\n+0001c2e0: 342e 322c 2d33 3530 2e35 3220 3132 3539 4.2,-350.52 1259\n+0001c2f0: 2e35 362c 2d33 3330 2e33 3520 3132 3335 .56,-330.35 1235\n+0001c300: 2e37 362c 2d32 3937 2e35 3620 3132 3239 .76,-297.56 1229\n+0001c310: 2e38 382c 2d32 3835 2e34 3420 3131 3933 .88,-285.44 1193\n+0001c320: 2e35 362c 2d32 3637 2e34 3820 3131 3031 .56,-267.48 1101\n+0001c330: 2e39 392c 2d32 3232 2e32 2031 3036 302e .99,-222.2 1060.\n+0001c340: 342c 2d32 3731 2e38 3420 3936 362e 3536 4,-271.84 966.56\n+0001c350: 2c2d 3233 312e 3438 2039 3335 2e35 322c ,-231.48 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696c 7320 2d2d 3e0a 3c67 gpu_utils -->.<g\n+0001c450: 2069 643d 2265 6467 6531 3833 2220 636c id=\"edge183\" cl\n+0001c460: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0001c470: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0001c480: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n+0001c490: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n+0001c4a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001c4b0: 735f 6770 755f 7574 696c 733c 2f74 6974 s_gpu_utils</tit\n+0001c4c0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0001c4d0: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c none\" stroke=\"bl\n+0001c4e0: 6163 6b22 2073 7472 6f6b 652d 6461 7368 ack\" stroke-dash\n+0001c4f0: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+0001c500: 3132 3436 2e38 342c 2d34 3135 2e36 3143 1246.84,-415.61C\n+0001c510: 3131 3833 2e32 322c 2d34 3236 2e33 3420 1183.22,-426.34 \n+0001c520: 3130 3738 2e32 312c 2d34 3435 2e33 3220 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223e 0a3c class=\"edge\">.<\n+0001c8d0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001c8e0: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n+0001c8f0: 7369 6d75 6c61 746f 7226 2334 353b 2667 simulator-&g\n+0001c900: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001c910: 6d61 6373 5f6d 646c 6962 3c2f 7469 746c macs_mdlib</titl\n+0001c920: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0001c930: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n+0001c940: 2220 643d 224d 3132 3938 2e35 322c 2d33 \" d=\"M1298.52,-3\n+0001c950: 3932 2e39 3543 3133 3034 2c2d 3336 352e 92.95C1304,-365.\n+0001c960: 3920 3133 3132 2e33 372c 2d33 3032 2e32 9 1312.37,-302.2\n+0001c970: 3620 3132 3739 2e35 362c 2d32 3637 2e34 6 1279.56,-267.4\n+0001c980: 3820 3132 3437 2e37 322c 2d32 3333 2e37 8 1247.72,-233.7\n+0001c990: 3220 3131 3130 2e30 332c 2d32 3233 2e33 2 1110.03,-223.3\n+0001c9a0: 3820 3130 3431 2e39 362c 2d32 3230 2e33 8 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7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001caa0: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n+0001cab0: 7369 6d75 6c61 746f 7226 2334 353b 2667 simulator-&g\n+0001cac0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001cad0: 6d61 6373 5f67 6d78 6c69 623c 2f74 6974 macs_gmxlib</tit\n+0001cae0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0001caf0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+0001cb00: 6662 6662 6622 2064 3d22 4d31 3237 312e fbfbf\" d=\"M1271.\n+0001cb10: 3732 2c2d 3431 392e 3238 4331 3235 342e 72,-419.28C1254.\n+0001cb20: 3637 2c2d 3432 382e 3136 2031 3233 312e 67,-428.16 1231.\n+0001cb30: 3633 2c2d 3434 312e 3336 2031 3231 332e 63,-441.36 1213.\n+0001cb40: 3536 2c2d 3435 362e 3039 2031 3138 342e 56,-456.09 1184.\n+0001cb50: 3333 2c2d 3437 392e 3932 2031 3137 352e 33,-479.92 1175.\n+0001cb60: 3337 2c2d 3438 362e 3237 2031 3135 362e 37,-486.27 1156.\n+0001cb70: 3536 2c2d 3531 382e 3936 2031 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110\n+0001cc60: 362e 3534 2c2d 3735 392e 3738 2031 3039 6.54,-759.78 109\n+0001cc70: 392e 3934 2c2d 3736 322e 3039 222f 3e0a 9.94,-762.09\"/>.\n+0001cc80: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0001cc90: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64 _src_gromacs_mod\n+0001cca0: 756c 6172 7369 6d75 6c61 746f 7226 2334 ularsimulator\n+0001ccb0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001ccc0: 5f67 726f 6d61 6373 5f66 696c 6569 6f20 _gromacs_fileio \n+0001ccd0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+0001cce0: 3834 2220 636c 6173 733d 2265 6467 6522 84\" class=\"edge\"\n+0001ccf0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0001cd00: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n+0001cd10: 6c61 7273 696d 756c 6174 6f72 2623 3435 larsimulator-\n+0001cd20: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001cd30: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f gromacs_fileio</\n+0001cd40: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001cd50: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001cd60: 2223 6266 6266 6266 2220 643d 224d 3133 \"#bfbfbf\" d=\"M13\n+0001cd70: 3436 2e35 362c 2d34 3135 2e30 3143 3134 46.56,-415.01C14\n+0001cd80: 3135 2e33 312c 2d34 3235 2e39 3220 3135 15.31,-425.92 15\n+0001cd90: 3330 2e37 322c 2d34 3436 2e31 3720 3135 30.72,-446.17 15\n+0001cda0: 3437 2e35 362c 2d34 3536 2e30 3920 3135 47.56,-456.09 15\n+0001cdb0: 3932 2e35 392c 2d34 3832 2e36 3220 3135 92.59,-482.62 15\n+0001cdc0: 3831 2e33 382c 2d35 3134 2e39 3720 3136 81.38,-514.97 16\n+0001cdd0: 3233 2e35 362c 2d35 3435 2e38 3320 3136 23.56,-545.83 16\n+0001cde0: 3333 2e36 332c 2d35 3533 2e32 2031 3738 33.63,-553.2 178\n+0001cdf0: 392e 3037 2c2d 3631 362e 3234 2031 3835 9.07,-616.24 185\n+0001ce00: 332e 3832 2c2d 3634 342e 3035 222f 3e0a 3.82,-644.05\"/>.\n+0001ce10: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+0001ce20: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n+0001ce30: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n+0001ce40: 2231 3835 322e 3437 2c2d 3634 372e 3238 \"1852.47,-647.28\n+0001ce50: 2031 3836 332e 3034 2c2d 3634 382e 3034 1863.04,-648.04\n+0001ce60: 2031 3835 352e 3235 2c2d 3634 302e 3836 1855.25,-640.86\n+0001ce70: 2031 3835 322e 3437 2c2d 3634 372e 3238 1852.47,-647.28\n+0001ce80: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+0001ce90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001cea0: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n+0001ceb0: 7226 2334 353b 2667 743b 6d6f 6475 6c65 r->module\n+0001cec0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+0001ced0: 756e 7574 696c 6974 7920 2d2d 3e0a 3c67 unutility -->.<g\n+0001cee0: 2069 643d 2265 6467 6531 3735 2220 636c id=\"edge175\" cl\n+0001cef0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0001cf00: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0001cf10: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n+0001cf20: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n+0001cf30: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001cf40: 735f 6d64 7275 6e75 7469 6c69 7479 3c2f s_mdrunutility</\n+0001cf50: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001cf60: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001cf70: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+0001cf80: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+0001cf90: 2064 3d22 4d31 3334 382e 332c 2d34 3134 d=\"M1348.3,-414\n+0001cfa0: 2e35 3343 3134 3234 2e37 322c 2d34 3234 .53C1424.72,-424\n+0001cfb0: 2e38 3120 3135 3539 2e32 352c 2d34 3434 .81 1559.25,-444\n+0001cfc0: 2e32 3520 3135 3738 2e35 362c 2d34 3536 .25 1578.56,-456\n+0001cfd0: 2e30 3920 3135 3931 2e32 352c 2d34 3633 .09 1591.25,-463\n+0001cfe0: 2e38 3720 3135 3837 2e37 392c 2d34 3732 .87 1587.79,-472\n+0001cff0: 2e36 3920 3135 3938 2e35 362c 2d34 3832 .69 1598.56,-482\n+0001d000: 2e39 3620 3136 3131 2e33 352c 2d34 3935 .96 1611.35,-495\n+0001d010: 2e31 3620 3136 3237 2e35 342c 2d35 3036 .16 1627.54,-506\n+0001d020: 2e33 3420 3136 3431 2e33 322c 2d35 3134 .34 1641.32,-514\n+0001d030: 2e38 3922 2f3e 0a3c 706f 6c79 676f 6e20 .89\"/>.<polygon \n+0001d040: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+0001d050: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+0001d060: 706f 696e 7473 3d22 3136 3339 2e36 2c2d points=\"1639.6,-\n+0001d070: 3531 372e 3934 2031 3634 392e 3937 2c2d 517.94 1649.97,-\n+0001d080: 3532 302e 3120 3136 3433 2e32 322c 2d35 520.1 1643.22,-5\n+0001d090: 3131 2e39 3420 3136 3339 2e36 2c2d 3531 11.94 1639.6,-51\n+0001d0a0: 372e 3934 222f 3e0a 3c2f 673e 0a3c 212d 7.94\"/>.</g>.<!-\n+0001d0b0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+0001d0c0: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n+0001d0d0: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n+0001d0e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001d0f0: 5f70 756c 6c69 6e67 202d 2d3e 0a3c 6720 _pulling -->.<g \n+0001d100: 6964 3d22 6564 6765 3137 3422 2063 6c61 id=\"edge174\" cla\n+0001d110: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0001d120: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0001d130: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n+0001d140: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n+0001d150: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001d160: 5f70 756c 6c69 6e67 3c2f 7469 746c 653e _pulling</title>\n+0001d170: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .<path fill=\"non\n+0001d180: 6522 2073 7472 6f6b 653d 2223 3238 3266 e\" stroke=\"#282f\n+0001d190: 6363 2220 7374 726f 6b65 2d64 6173 6861 cc\" stroke-dasha\n+0001d1a0: 7272 6179 3d22 352c 3222 2064 3d22 4d31 rray=\"5,2\" d=\"M1\n+0001d1b0: 3332 352e 3938 2c2d 3339 342e 3633 4331 325.98,-394.63C1\n+0001d1c0: 3335 352e 3732 2c2d 3338 332e 3836 2031 355.72,-383.86 1\n+0001d1d0: 3430 302e 3832 2c2d 3336 372e 3532 2031 400.82,-367.52 1\n+0001d1e0: 3433 312e 322c 2d33 3536 2e35 3122 2f3e 431.2,-356.51\"/>\n+0001d1f0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0001d200: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n+0001d210: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n+0001d220: 3d22 3134 3332 2e36 392c 2d33 3539 2e36 =\"1432.69,-359.6\n+0001d230: 3920 3134 3430 2e39 2c2d 3335 3320 3134 9 1440.9,-353 14\n+0001d240: 3330 2e33 2c2d 3335 332e 3131 2031 3433 30.3,-353.11 143\n+0001d250: 322e 3639 2c2d 3335 392e 3639 222f 3e0a 2.69,-359.69\"/>.\n+0001d260: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0001d270: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64 _src_gromacs_mod\n+0001d280: 756c 6172 7369 6d75 6c61 746f 7226 2334 ularsimulator\n+0001d290: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001d2a0: 5f67 726f 6d61 6373 5f72 616e 646f 6d20 _gromacs_random \n+0001d2b0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+0001d2c0: 3832 2220 636c 6173 733d 2265 6467 6522 82\" class=\"edge\"\n+0001d2d0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0001d2e0: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n+0001d2f0: 6c61 7273 696d 756c 6174 6f72 2623 3435 larsimulator-\n+0001d300: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001d310: 6772 6f6d 6163 735f 7261 6e64 6f6d 3c2f gromacs_random</\n+0001d320: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001d330: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001d340: 2262 6c61 636b 2220 7374 726f 6b65 2d64 \"black\" stroke-d\n+0001d350: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+0001d360: 3d22 4d31 3331 312e 3533 2c2d 3339 332e =\"M1311.53,-393.\n+0001d370: 3531 4331 3333 342e 3832 2c2d 3337 362e 51C1334.82,-376.\n+0001d380: 3438 2031 3338 302e 3038 2c2d 3334 352e 48 1380.08,-345.\n+0001d390: 3832 2031 3432 332e 3536 2c2d 3333 302e 82 1423.56,-330.\n+0001d3a0: 3335 2031 3532 332e 3131 2c2d 3239 342e 35 1523.11,-294.\n+0001d3b0: 3932 2031 3535 362e 3939 2c2d 3332 332e 92 1556.99,-323.\n+0001d3c0: 3437 2031 3635 382e 3536 2c2d 3239 342e 47 1658.56,-294.\n+0001d3d0: 3335 2031 3737 312e 3037 2c2d 3236 322e 35 1771.07,-262.\n+0001d3e0: 3039 2031 3839 362e 332c 2d31 3939 2e39 09 1896.3,-199.9\n+0001d3f0: 3820 3139 3531 2e31 392c 2d31 3731 2e33 8 1951.19,-171.3\n+0001d400: 3322 2f3e 0a3c 706f 6c79 676f 6e20 6669 3\"/>.<polygon fi\n+0001d410: 6c6c 3d22 626c 6163 6b22 2073 7472 6f6b ll=\"black\" strok\n+0001d420: 653d 2262 6c61 636b 2220 706f 696e 7473 e=\"black\" points\n+0001d430: 3d22 3139 3533 2e30 372c 2d31 3734 2e33 =\"1953.07,-174.3\n+0001d440: 2031 3936 302e 3239 2c2d 3136 362e 3535 1960.29,-166.55\n+0001d450: 2031 3934 392e 3831 2c2d 3136 382e 3120 1949.81,-168.1 \n+0001d460: 3139 3533 2e30 372c 2d31 3734 2e33 222f 1953.07,-174.3\"/\n+0001d470: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+0001d480: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n+0001d490: 7469 6c69 7479 2623 3435 3b26 6774 3b6d tility->m\n+0001d4a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001d4b0: 735f 636f 6d70 6174 202d 2d3e 0a3c 6720 s_compat -->.<g \n+0001d4c0: 6964 3d22 6564 6765 3138 3722 2063 6c61 id=\"edge187\" cla\n+0001d4d0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0001d4e0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0001d4f0: 6d61 6373 5f75 7469 6c69 7479 2623 3435 macs_utility-\n+0001d500: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001d510: 6772 6f6d 6163 735f 636f 6d70 6174 3c2f gromacs_compat</\n+0001d520: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001d530: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001d540: 2223 3238 3266 6363 2220 643d 224d 3237 \"#282fcc\" d=\"M27\n+0001d550: 312e 3231 2c2d 3130 3837 2e32 3243 3234 1.21,-1087.22C24\n+0001d560: 332e 3039 2c2d 3130 3638 2e36 2031 3838 3.09,-1068.6 188\n+0001d570: 2e35 362c 2d31 3032 352e 3736 2031 3838 .56,-1025.76 188\n+0001d580: 2e35 362c 2d39 3733 2e34 3920 3138 382e .56,-973.49 188.\n+0001d590: 3536 2c2d 3937 332e 3439 2031 3838 2e35 56,-973.49 188.5\n+0001d5a0: 362c 2d39 3733 2e34 3920 3138 382e 3536 6,-973.49 188.56\n+0001d5b0: 2c2d 3430 352e 3636 2031 3838 2e35 362c ,-405.66 188.56,\n+0001d5c0: 2d32 3639 2e30 3420 3637 382e 3434 2c2d -269.04 678.44,-\n+0001d5d0: 3138 342e 3631 2038 3236 2e36 312c 2d31 184.61 826.61,-1\n+0001d5e0: 3632 2e31 3922 2f3e 0a3c 706f 6c79 676f 62.19\"/>.<polygo\n+0001d5f0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n+0001d600: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0001d610: 2220 706f 696e 7473 3d22 3832 372e 332c \" points=\"827.3,\n+0001d620: 2d31 3635 2e36 3320 3833 362e 3637 2c2d -165.63 836.67,-\n+0001d630: 3136 302e 3639 2038 3236 2e32 372c 2d31 160.69 826.27,-1\n+0001d640: 3538 2e37 3120 3832 372e 332c 2d31 3635 58.71 827.3,-165\n+0001d650: 2e36 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d .63\"/>.</g>.<!--\n+0001d660: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+0001d670: 6163 735f 7574 696c 6974 7926 2334 353b acs_utility-\n+0001d680: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001d690: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n+0001d6a0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+0001d6b0: 3138 3622 2063 6c61 7373 3d22 6564 6765 186\" class=\"edge\n+0001d6c0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+0001d6d0: 5f73 7263 5f67 726f 6d61 6373 5f75 7469 _src_gromacs_uti\n+0001d6e0: 6c69 7479 2623 3435 3b26 6774 3b6d 6f64 lity->mod\n+0001d6f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001d700: 6770 755f 7574 696c 733c 2f74 6974 6c65 gpu_utils</title\n+0001d710: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0001d720: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+0001d730: 6662 6622 2064 3d22 4d32 3936 2e36 382c fbf\" d=\"M296.68,\n+0001d740: 2d31 3038 352e 3243 3330 362e 3236 2c2d -1085.2C306.26,-\n+0001d750: 3130 3736 2e31 3620 3332 312e 3235 2c2d 1076.16 321.25,-\n+0001d760: 3130 3633 2e36 3520 3333 342e 352c 2d31 1063.65 334.5,-1\n+0001d770: 3035 332e 3536 222f 3e0a 3c70 6f6c 7967 053.56\"/>.<polyg\n+0001d780: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n+0001d790: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+0001d7a0: 6622 2070 6f69 6e74 733d 2233 3336 2e39 f\" points=\"336.9\n+0001d7b0: 342c 2d31 3035 362e 3131 2033 3432 2e38 4,-1056.11 342.8\n+0001d7c0: 382c 2d31 3034 372e 3333 2033 3332 2e37 8,-1047.33 332.7\n+0001d7d0: 372c 2d31 3035 302e 3439 2033 3336 2e39 7,-1050.49 336.9\n+0001d7e0: 342c 2d31 3035 362e 3131 222f 3e0a 3c2f 4,-1056.11\"/>.</\n+0001d7f0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0001d800: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+0001d810: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n+0001d820: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e _src_gromacs_nbn\n+0001d830: 786d 202d 2d3e 0a3c 6720 6964 3d22 6564 xm -->.<g id=\"ed\n+0001d840: 6765 3138 3822 2063 6c61 7373 3d22 6564 ge188\" class=\"ed\n+0001d850: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+0001d860: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+0001d870: 6f6d 6465 6326 2334 353b 2667 743b 6d6f omdec->mo\n+0001d880: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001d890: 5f6e 626e 786d 3c2f 7469 746c 653e 0a3c _nbnxm</title>.<\n+0001d8a0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0001d8b0: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n+0001d8c0: 224d 3936 372e 3634 2c2d 3238 322e 3937 \"M967.64,-282.97\n+0001d8d0: 4338 3838 2e30 322c 2d32 3835 2e38 3220 C888.02,-285.82 \n+0001d8e0: 3730 302e 3331 2c2d 3239 352e 3937 2036 700.31,-295.97 6\n+0001d8f0: 3437 2e35 362c 2d33 3330 2e33 3520 3436 47.56,-330.35 46\n+0001d900: 332e 3532 2c2d 3435 302e 3239 2034 3531 3.52,-450.29 451\n+0001d910: 2e38 362c 2d35 3830 2e32 3420 3438 352e .86,-580.24 485.\n+0001d920: 3536 2c2d 3739 372e 3331 2034 3930 2e30 56,-797.31 490.0\n+0001d930: 362c 2d38 3236 2e32 3920 3439 312e 3437 6,-826.29 491.47\n+0001d940: 2c2d 3833 342e 3437 2035 3035 2e35 362c ,-834.47 505.56,\n+0001d950: 2d38 3630 2e31 3820 3531 352e 3537 2c2d -860.18 515.57,-\n+0001d960: 3837 382e 3434 2035 3236 2e35 382c 2d38 878.44 526.58,-8\n+0001d970: 3737 2e33 3920 3533 352e 3536 2c2d 3839 77.39 535.56,-89\n+0001d980: 362e 3138 2035 3433 2e35 312c 2d39 3132 6.18 543.51,-912\n+0001d990: 2e38 3320 3534 372e 3235 2c2d 3933 332e .83 547.25,-933.\n+0001d9a0: 3439 2035 3437 2e35 382c 2d39 3438 2e39 49 547.58,-948.9\n+0001d9b0: 3522 2f3e 0a3c 706f 6c79 676f 6e20 6669 5\"/>.<polygon fi\n+0001d9c0: 6c6c 3d22 7265 6422 2073 7472 6f6b 653d ll=\"red\" stroke=\n+0001d9d0: 2272 6564 2220 706f 696e 7473 3d22 3534 \"red\" points=\"54\n+0001d9e0: 342e 3038 2c2d 3934 392e 3035 2035 3437 4.08,-949.05 547\n+0001d9f0: 2e32 342c 2d39 3539 2e31 3720 3535 312e .24,-959.17 551.\n+0001da00: 3038 2c2d 3934 392e 3239 2035 3434 2e30 08,-949.29 544.0\n+0001da10: 382c 2d39 3439 2e30 3522 2f3e 0a3c 2f67 8,-949.05\"/>.</g\n+0001da20: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+0001da30: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n+0001da40: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001da50: 7372 635f 6772 6f6d 6163 735f 6861 7264 src_gromacs_hard\n+0001da60: 7761 7265 202d 2d3e 0a3c 6720 6964 3d22 ware -->.<g id=\"\n+0001da70: 6564 6765 3139 3522 2063 6c61 7373 3d22 edge195\" class=\"\n+0001da80: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+0001da90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001daa0: 5f64 6f6d 6465 6326 2334 353b 2667 743b _domdec->\n+0001dab0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001dac0: 6373 5f68 6172 6477 6172 653c 2f74 6974 cs_hardware</tit\n+0001dad0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0001dae0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+0001daf0: 6662 6662 6622 2064 3d22 4d39 3733 2e33 fbfbf\" d=\"M973.3\n+0001db00: 362c 2d32 3733 2e33 3543 3933 342e 322c 6,-273.35C934.2,\n+0001db10: 2d32 3634 2e36 3520 3836 332e 3838 2c2d -264.65 863.88,-\n+0001db20: 3234 382e 3433 2038 3034 2e35 362c 2d32 248.43 804.56,-2\n+0001db30: 3331 2e34 3820 3731 382e 3633 2c2d 3230 31.48 718.63,-20\n+0001db40: 362e 3932 2036 3936 2e37 382c 2d32 3031 6.92 696.78,-201\n+0001db50: 2e31 3820 3631 332e 3536 2c2d 3136 382e .18 613.56,-168.\n+0001db60: 3631 2035 3635 2e35 322c 2d31 3439 2e38 61 565.52,-149.8\n+0001db70: 3120 3531 312e 3339 2c2d 3132 342e 3233 1 511.39,-124.23\n+0001db80: 2034 3738 2e36 342c 2d31 3038 2e32 3522 478.64,-108.25\"\n+0001db90: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+0001dba0: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+0001dbb0: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n+0001dbc0: 7473 3d22 3438 302e 3132 2c2d 3130 352e ts=\"480.12,-105.\n+0001dbd0: 3037 2034 3639 2e36 2c2d 3130 332e 3831 07 469.6,-103.81\n+0001dbe0: 2034 3737 2e30 332c 2d31 3131 2e33 3620 477.03,-111.36 \n+0001dbf0: 3438 302e 3132 2c2d 3130 352e 3037 222f 480.12,-105.07\"/\n+0001dc00: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+0001dc10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+0001dc20: 6f6d 6465 6326 2334 353b 2667 743b 6d6f omdec->mo\n+0001dc30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001dc40: 5f6d 6474 7970 6573 202d 2d3e 0a3c 6720 _mdtypes -->.<g \n+0001dc50: 6964 3d22 6564 6765 3139 3022 2063 6c61 id=\"edge190\" cla\n+0001dc60: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0001dc70: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0001dc80: 6d61 6373 5f64 6f6d 6465 6326 2334 353b macs_domdec-\n+0001dc90: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001dca0: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f romacs_mdtypes</\n+0001dcb0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001dcc0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001dcd0: 2223 6266 6266 6266 2220 643d 224d 3938 \"#bfbfbf\" d=\"M98\n+0001dce0: 372e 3331 2c2d 3239 332e 3031 4339 3539 7.31,-293.01C959\n+0001dcf0: 2e37 382c 2d33 3038 2e30 3420 3930 332e .78,-308.04 903.\n+0001dd00: 3432 2c2d 3333 352e 3438 2038 3534 2e35 42,-335.48 854.5\n+0001dd10: 362c 2d33 3537 2e32 3220 3831 362e 3333 6,-357.22 816.33\n+0001dd20: 2c2d 3337 342e 3233 2037 3930 2e38 312c ,-374.23 790.81,\n+0001dd30: 2d33 3538 2e34 3320 3736 372e 3536 2c2d -358.43 767.56,-\n+0001dd40: 3339 332e 3232 2037 3630 2e39 322c 2d34 393.22 760.92,-4\n+0001dd50: 3033 2e31 3520 3736 352e 3238 2c2d 3430 03.15 765.28,-40\n+0001dd60: 382e 3337 2037 3637 2e35 362c 2d34 3230 8.37 767.56,-420\n+0001dd70: 2e30 3920 3830 352e 3337 2c2d 3631 342e .09 805.37,-614.\n+0001dd80: 3533 2038 3936 2e37 352c 2d36 3338 2e38 53 896.75,-638.8\n+0001dd90: 3720 3933 342e 3536 2c2d 3833 332e 3331 7 934.56,-833.31\n+0001dda0: 2039 3336 2e38 342c 2d38 3435 2e30 3320 936.84,-845.03 \n+0001ddb0: 3933 382e 3436 2c2d 3834 382e 3839 2039 938.46,-848.89 9\n+0001ddc0: 3334 2e35 362c 2d38 3630 2e31 3820 3933 34.56,-860.18 93\n+0001ddd0: 302e 3632 2c2d 3837 312e 3539 2039 3232 0.62,-871.59 922\n+0001dde0: 2e37 362c 2d38 3832 2e33 3620 3931 342e .76,-882.36 914.\n+0001ddf0: 3434 2c2d 3839 302e 3833 222f 3e0a 3c70 44,-890.83\"/>.<p\n+0001de00: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+0001de10: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+0001de20: 6662 6662 6622 2070 6f69 6e74 733d 2239 fbfbf\" points=\"9\n+0001de30: 3132 2e30 342c 2d38 3838 2e32 3820 3930 12.04,-888.28 90\n+0001de40: 372e 3039 2c2d 3839 372e 3634 2039 3136 7.09,-897.64 916\n+0001de50: 2e38 2c2d 3839 332e 3431 2039 3132 2e30 .8,-893.41 912.0\n+0001de60: 342c 2d38 3838 2e32 3822 2f3e 0a3c 2f67 4,-888.28\"/>.</g\n+0001de70: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+0001de80: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n+0001de90: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001dea0: 7372 635f 6772 6f6d 6163 735f 696d 6420 src_gromacs_imd \n+0001deb0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+0001dec0: 3938 2220 636c 6173 733d 2265 6467 6522 98\" class=\"edge\"\n+0001ded0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0001dee0: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+0001def0: 6563 2623 3435 3b26 6774 3b6d 6f64 756c ec->modul\n+0001df00: 655f 7372 635f 6772 6f6d 6163 735f 696d e_src_gromacs_im\n+0001df10: 643c 2f74 6974 6c65 3e0a 3c70 6174 6820 d</title>.<path \n+0001df20: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n+0001df30: 6b65 3d22 2332 3832 6663 6322 2073 7472 ke=\"#282fcc\" str\n+0001df40: 6f6b 652d 6461 7368 6172 7261 793d 2235 oke-dasharray=\"5\n+0001df50: 2c32 2220 643d 224d 3130 3333 2e37 342c ,2\" d=\"M1033.74,\n+0001df60: 2d32 3733 2e33 3543 3131 3338 2e37 312c -273.35C1138.71,\n+0001df70: 2d32 3531 2e38 3120 3134 3836 2e36 352c -251.81 1486.65,\n+0001df80: 2d31 3833 2e34 3720 3135 3938 2e36 322c -183.47 1598.62,\n+0001df90: 2d31 3632 2e34 3122 2f3e 0a3c 706f 6c79 -162.41\"/>.<poly\n+0001dfa0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n+0001dfb0: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n+0001dfc0: 6363 2220 706f 696e 7473 3d22 3135 3939 cc\" points=\"1599\n+0001dfd0: 2e35 322c 2d31 3635 2e38 3120 3136 3038 .52,-165.81 1608\n+0001dfe0: 2e37 2c2d 3136 302e 3533 2031 3539 382e .7,-160.53 1598.\n+0001dff0: 3233 2c2d 3135 382e 3933 2031 3539 392e 23,-158.93 1599.\n+0001e000: 3532 2c2d 3136 352e 3831 222f 3e0a 3c2f 52,-165.81\"/>.</\n+0001e010: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0001e020: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+0001e030: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n+0001e040: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+0001e050: 756e 202d 2d3e 0a3c 6720 6964 3d22 6564 un -->.<g id=\"ed\n+0001e060: 6765 3139 3622 2063 6c61 7373 3d22 6564 ge196\" class=\"ed\n+0001e070: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+0001e080: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+0001e090: 6f6d 6465 6326 2334 353b 2667 743b 6d6f omdec->mo\n+0001e0a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001e0b0: 5f6d 6472 756e 3c2f 7469 746c 653e 0a3c _mdrun</title>.<\n+0001e0c0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0001e0d0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0001e0e0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+0001e0f0: 6179 3d22 352c 3222 2064 3d22 4d31 3033 ay=\"5,2\" d=\"M103\n+0001e100: 382e 3634 2c2d 3238 342e 3339 4331 3036 8.64,-284.39C106\n+0001e110: 392e 3735 2c2d 3238 382e 3539 2031 3131 9.75,-288.59 111\n+0001e120: 322e 3935 2c2d 3239 392e 3920 3131 3333 2.95,-299.9 1133\n+0001e130: 2e35 362c 2d33 3330 2e33 3520 3131 3636 .56,-330.35 1166\n+0001e140: 2e39 2c2d 3337 392e 3631 2031 3038 362e .9,-379.61 1086.\n+0001e150: 3933 2c2d 3433 312e 3833 2031 3033 392e 93,-431.83 1039.\n+0001e160: 3735 2c2d 3435 352e 3522 2f3e 0a3c 706f 75,-455.5\"/>.<po\n+0001e170: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n+0001e180: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n+0001e190: 3266 6363 2220 706f 696e 7473 3d22 3130 2fcc\" points=\"10\n+0001e1a0: 3337 2e39 382c 2d34 3532 2e34 3720 3130 37.98,-452.47 10\n+0001e1b0: 3330 2e35 312c 2d34 3539 2e39 3820 3130 30.51,-459.98 10\n+0001e1c0: 3431 2e30 342c 2d34 3538 2e37 3720 3130 41.04,-458.77 10\n+0001e1d0: 3337 2e39 382c 2d34 3532 2e34 3722 2f3e 37.98,-452.47\"/>\n+0001e1e0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+0001e1f0: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n+0001e200: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64 mdec->mod\n+0001e210: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001e220: 6c69 7374 6564 5f66 6f72 6365 7320 2d2d listed_forces --\n+0001e230: 3e0a 3c67 2069 643d 2265 6467 6531 3937 >.<g id=\"edge197\n+0001e240: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+0001e250: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+0001e260: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n+0001e270: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001e280: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n+0001e290: 6564 5f66 6f72 6365 733c 2f74 6974 6c65 ed_forces</title\n+0001e2a0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0001e2b0: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+0001e2c0: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+0001e2d0: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+0001e2e0: 3937 372e 3532 2c2d 3237 312e 3531 4339 977.52,-271.51C9\n+0001e2f0: 3138 2e33 352c 2d32 3530 2e37 3620 3737 18.35,-250.76 77\n+0001e300: 342e 3435 2c2d 3139 362e 3932 2037 3038 4.45,-196.92 708\n+0001e310: 2e30 332c 2d31 3730 2e38 3122 2f3e 0a3c .03,-170.81\"/>.<\n+0001e320: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+0001e330: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+0001e340: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+0001e350: 3730 392e 3032 2c2d 3136 372e 3433 2036 709.02,-167.43 6\n+0001e360: 3938 2e34 332c 2d31 3637 2e30 3120 3730 98.43,-167.01 70\n+0001e370: 362e 3435 2c2d 3137 332e 3934 2037 3039 6.45,-173.94 709\n+0001e380: 2e30 322c 2d31 3637 2e34 3322 2f3e 0a3c .02,-167.43\"/>.<\n+0001e390: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+0001e3a0: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+0001e3b0: 6563 2623 3435 3b26 6774 3b6d 6f64 756c ec->modul\n+0001e3c0: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n+0001e3d0: 616c 6420 2d2d 3e0a 3c67 2069 643d 2265 ald -->.<g id=\"e\n+0001e3e0: 6467 6531 3931 2220 636c 6173 733d 2265 dge191\" class=\"e\n+0001e3f0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+0001e400: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001e410: 646f 6d64 6563 2623 3435 3b26 6774 3b6d domdec->m\n+0001e420: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001e430: 735f 6577 616c 643c 2f74 6974 6c65 3e0a s_ewald</title>.\n+0001e440: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n+0001e450: 2220 7374 726f 6b65 3d22 7265 6422 2064 \" stroke=\"red\" d\n+0001e460: 3d22 4d39 3831 2e30 322c 2d32 3931 2e35 =\"M981.02,-291.5\n+0001e470: 3843 3932 312e 3733 2c2d 3331 342e 3632 8C921.73,-314.62\n+0001e480: 2037 3636 2e32 382c 2d33 3732 2e34 3220 766.28,-372.42 \n+0001e490: 3735 322e 3536 2c2d 3339 332e 3232 2037 752.56,-393.22 7\n+0001e4a0: 3134 2e38 392c 2d34 3530 2e33 3220 3734 14.89,-450.32 74\n+0001e4b0: 382e 3332 2c2d 3438 312e 3836 2037 3732 8.32,-481.86 772\n+0001e4c0: 2e35 362c 2d35 3435 2e38 3320 3738 342e .56,-545.83 784.\n+0001e4d0: 3239 2c2d 3537 362e 3820 3739 332e 3033 29,-576.8 793.03\n+0001e4e0: 2c2d 3538 312e 3935 2038 3132 2e35 362c ,-581.95 812.56,\n+0001e4f0: 2d36 3038 2e37 2038 3234 2e38 342c 2d36 -608.7 824.84,-6\n+0001e500: 3235 2e35 3220 3833 322e 3937 2c2d 3632 25.52 832.97,-62\n+0001e510: 362e 3231 2038 3432 2e35 362c 2d36 3434 6.21 842.56,-644\n+0001e520: 2e37 2038 3733 2e37 362c 2d37 3034 2e38 .7 873.76,-704.8\n+0001e530: 3520 3838 382e 3233 2c2d 3738 342e 3733 5 888.23,-784.73\n+0001e540: 2038 3930 2e32 2c2d 3832 332e 3138 222f 890.2,-823.18\"/\n+0001e550: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+0001e560: 2272 6564 2220 7374 726f 6b65 3d22 7265 \"red\" stroke=\"re\n+0001e570: 6422 2070 6f69 6e74 733d 2238 3836 2e37 d\" points=\"886.7\n+0001e580: 2c2d 3832 332e 3338 2038 3930 2e34 322c ,-823.38 890.42,\n+0001e590: 2d38 3333 2e33 2038 3933 2e37 2c2d 3832 -833.3 893.7,-82\n+0001e5a0: 332e 3232 2038 3836 2e37 2c2d 3832 332e 3.22 886.7,-823.\n+0001e5b0: 3338 222f 3e0a 3c2f 673e 0a3c 212d 2d20 38\"/>.</g>.<!-- \n+0001e5c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001e5d0: 6373 5f64 6f6d 6465 6326 2334 353b 2667 cs_domdec-&g\n+0001e5e0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001e5f0: 6d61 6373 5f67 7075 5f75 7469 6c73 202d macs_gpu_utils -\n+0001e600: 2d3e 0a3c 6720 6964 3d22 6564 6765 3139 ->.<g id=\"edge19\n+0001e610: 3422 2063 6c61 7373 3d22 6564 6765 223e 4\" class=\"edge\">\n+0001e620: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0001e630: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+0001e640: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n+0001e650: 5f73 7263 5f67 726f 6d61 6373 5f67 7075 _src_gromacs_gpu\n+0001e660: 5f75 7469 6c73 3c2f 7469 746c 653e 0a3c _utils</title>.<\n+0001e670: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0001e680: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0001e690: 2220 643d 224d 3936 382e 3035 2c2d 3238 \" d=\"M968.05,-28\n+0001e6a0: 332e 3237 4338 3831 2e33 392c 2d32 3837 3.27C881.39,-287\n+0001e6b0: 2e30 3120 3636 312e 342c 2d32 3939 2e33 .01 661.4,-299.3\n+0001e6c0: 3820 3539 352e 3536 2c2d 3333 302e 3335 8 595.56,-330.35\n+0001e6d0: 2035 3538 2e39 2c2d 3334 372e 3539 2035 558.9,-347.59 5\n+0001e6e0: 3535 2e34 372c 2d33 3632 2e30 3720 3532 55.47,-362.07 52\n+0001e6f0: 392e 3536 2c2d 3339 332e 3232 2034 3033 9.56,-393.22 403\n+0001e700: 2e35 352c 2d35 3434 2e37 3220 3334 392e .55,-544.72 349.\n+0001e710: 3931 2c2d 3538 302e 3734 2032 3936 2e35 91,-580.74 296.5\n+0001e720: 362c 2d37 3730 2e34 3420 3237 302e 3632 6,-770.44 270.62\n+0001e730: 2c2d 3836 322e 3637 2032 3539 2e35 352c ,-862.67 259.55,\n+0001e740: 2d39 3030 2e33 3120 3330 322e 3536 2c2d -900.31 302.56,-\n+0001e750: 3938 352e 3932 2033 3039 2e32 2c2d 3939 985.92 309.2,-99\n+0001e760: 392e 3133 2033 3231 2e32 352c 2d31 3031 9.13 321.25,-101\n+0001e770: 302e 3033 2033 3332 2e37 352c 2d31 3031 0.03 332.75,-101\n+0001e780: 382e 3132 222f 3e0a 3c70 6f6c 7967 6f6e 8.12\"/>.<polygon\n+0001e790: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+0001e7a0: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n+0001e7b0: 2070 6f69 6e74 733d 2233 3331 2e30 352c points=\"331.05,\n+0001e7c0: 2d31 3032 312e 3139 2033 3431 2e33 332c -1021.19 341.33,\n+0001e7d0: 2d31 3032 332e 3735 2033 3334 2e38 392c -1023.75 334.89,\n+0001e7e0: 2d31 3031 352e 3333 2033 3331 2e30 352c -1015.33 331.05,\n+0001e7f0: 2d31 3032 312e 3139 222f 3e0a 3c2f 673e -1021.19\"/>.</g>\n+0001e800: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+0001e810: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n+0001e820: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001e830: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+0001e840: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+0001e850: 3138 3922 2063 6c61 7373 3d22 6564 6765 189\" class=\"edge\n+0001e860: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+0001e870: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n+0001e880: 6465 6326 2334 353b 2667 743b 6d6f 6475 dec->modu\n+0001e890: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0001e8a0: 646c 6962 3c2f 7469 746c 653e 0a3c 7061 dlib</title>.<pa\n+0001e8b0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n+0001e8c0: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n+0001e8d0: 643d 224d 3939 382e 3031 2c2d 3236 372e d=\"M998.01,-267.\n+0001e8e0: 3643 3939 362e 3837 2c2d 3236 302e 3039 6C996.87,-260.09\n+0001e8f0: 2039 3936 2e35 342c 2d32 3530 2e32 3720 996.54,-250.27 \n+0001e900: 3939 372e 3032 2c2d 3234 312e 3433 222f 997.02,-241.43\"/\n+0001e910: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+0001e920: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n+0001e930: 3d22 2362 6662 6662 6622 2070 6f69 6e74 =\"#bfbfbf\" point\n+0001e940: 733d 2231 3030 302e 3532 2c2d 3234 312e s=\"1000.52,-241.\n+0001e950: 3634 2039 3938 2e30 312c 2d32 3331 2e33 64 998.01,-231.3\n+0001e960: 3420 3939 332e 3535 2c2d 3234 302e 3936 4 993.55,-240.96\n+0001e970: 2031 3030 302e 3532 2c2d 3234 312e 3634 1000.52,-241.64\n+0001e980: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+0001e990: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001e9a0: 5f64 6f6d 6465 6326 2334 353b 2667 743b _domdec->\n 0001e9b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001e9c0: 6373 5f6d 6474 7970 6573 2623 3435 3b26 cs_mdtypes-&\n-0001e9d0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001e9e0: 6f6d 6163 735f 6770 755f 7574 696c 733c omacs_gpu_utils<\n-0001e9f0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-0001ea00: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0001ea10: 3d22 2332 3832 6663 6322 2064 3d22 4d31 =\"#282fcc\" d=\"M1\n-0001ea20: 3135 392e 3639 2c2d 3732 302e 3037 4331 159.69,-720.07C1\n-0001ea30: 3235 322e 3936 2c2d 3731 372e 3534 2031 252.96,-717.54 1\n-0001ea40: 3439 302e 3734 2c2d 3639 352e 3632 2031 490.74,-695.62 1\n-0001ea50: 3537 392e 3536 2c2d 3534 352e 3833 2031 579.56,-545.83 1\n-0001ea60: 3633 362e 3334 2c2d 3435 302e 3038 2031 636.34,-450.08 1\n-0001ea70: 3439 332e 3734 2c2d 3334 312e 3031 2031 493.74,-341.01 1\n-0001ea80: 3433 352e 3634 2c2d 3239 392e 3334 222f 435.64,-299.34\"/\n-0001ea90: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-0001eaa0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-0001eab0: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n-0001eac0: 733d 2231 3433 372e 3537 2c2d 3239 362e s=\"1437.57,-296.\n-0001ead0: 3432 2031 3432 372e 342c 2d32 3933 2e34 42 1427.4,-293.4\n-0001eae0: 3720 3134 3333 2e35 312c 2d33 3032 2e31 7 1433.51,-302.1\n-0001eaf0: 3220 3134 3337 2e35 372c 2d32 3936 2e34 2 1437.57,-296.4\n-0001eb00: 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 2\"/>.</g>.<!-- m\n-0001eb10: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001eb20: 735f 6d64 7479 7065 7326 2334 353b 2667 s_mdtypes-&g\n-0001eb30: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001eb40: 6d61 6373 5f65 7761 6c64 202d 2d3e 0a3c macs_ewald -->.<\n-0001eb50: 6720 6964 3d22 6564 6765 3139 3522 2063 g id=\"edge195\" c\n-0001eb60: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-0001eb70: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-0001eb80: 726f 6d61 6373 5f6d 6474 7970 6573 2623 romacs_mdtypes&#\n-0001eb90: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001eba0: 635f 6772 6f6d 6163 735f 6577 616c 643c c_gromacs_ewald<\n-0001ebb0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-0001ebc0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0001ebd0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-0001ebe0: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-0001ebf0: 2220 643d 224d 3131 3330 2e32 342c 2d37 \" d=\"M1130.24,-7\n-0001ec00: 3037 2e36 4331 3135 342e 3233 2c2d 3638 07.6C1154.23,-68\n-0001ec10: 312e 3033 2031 3231 382e 3531 2c2d 3631 1.03 1218.51,-61\n-0001ec20: 352e 3338 2031 3234 372e 3536 2c2d 3534 5.38 1247.56,-54\n-0001ec30: 352e 3833 2031 3235 342e 362c 2d35 3238 5.83 1254.6,-528\n-0001ec40: 2e39 3920 3132 3536 2e39 352c 2d35 3038 .99 1256.95,-508\n-0001ec50: 2e33 3420 3132 3539 2e30 342c 2d34 3932 .34 1259.04,-492\n-0001ec60: 2e39 3322 2f3e 0a3c 706f 6c79 676f 6e20 .93\"/>.<polygon \n-0001ec70: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n-0001ec80: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n-0001ec90: 706f 696e 7473 3d22 3132 3632 2e35 352c points=\"1262.55,\n-0001eca0: 2d34 3933 2e31 3820 3132 3630 2e35 392c -493.18 1260.59,\n-0001ecb0: 2d34 3832 2e37 3720 3132 3535 2e36 332c -482.77 1255.63,\n-0001ecc0: 2d34 3932 2e31 3320 3132 3632 2e35 352c -492.13 1262.55,\n-0001ecd0: 2d34 3933 2e31 3822 2f3e 0a3c 2f67 3e0a -493.18\"/>.</g>.\n-0001ece0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-0001ecf0: 6772 6f6d 6163 735f 6d64 7479 7065 7326 gromacs_mdtypes&\n-0001ed00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001ed10: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n-0001ed20: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-0001ed30: 3139 3422 2063 6c61 7373 3d22 6564 6765 194\" class=\"edge\n-0001ed40: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-0001ed50: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n-0001ed60: 7970 6573 2623 3435 3b26 6774 3b6d 6f64 ypes->mod\n-0001ed70: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001ed80: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70 mdlib</title>.<p\n-0001ed90: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n-0001eda0: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n-0001edb0: 2064 3d22 4d31 3134 392e 3435 2c2d 3733 d=\"M1149.45,-73\n-0001edc0: 302e 3237 4331 3137 362e 3533 2c2d 3733 0.27C1176.53,-73\n-0001edd0: 392e 3820 3132 3138 2e30 352c 2d37 3536 9.8 1218.05,-756\n-0001ede0: 2e30 3120 3132 3533 2e35 362c 2d37 3730 .01 1253.56,-770\n-0001edf0: 2e34 3420 3132 3730 2e33 2c2d 3737 372e .44 1270.3,-777.\n-0001ee00: 3234 2031 3338 382e 3734 2c2d 3832 322e 24 1388.74,-822.\n-0001ee10: 3937 2031 3430 332e 3536 2c2d 3833 332e 97 1403.56,-833.\n-0001ee20: 3331 2031 3431 362e 3934 2c2d 3834 322e 31 1416.94,-842.\n-0001ee30: 3634 2031 3431 352e 3936 2c2d 3834 392e 64 1415.96,-849.\n-0001ee40: 3832 2031 3432 382e 3536 2c2d 3836 302e 82 1428.56,-860.\n-0001ee50: 3138 2031 3434 332e 332c 2d38 3732 2e33 18 1443.3,-872.3\n-0001ee60: 3120 3134 3631 2e33 322c 2d38 3833 2e36 1 1461.32,-883.6\n-0001ee70: 3920 3134 3735 2e34 2c2d 3839 322e 3337 9 1475.4,-892.37\n-0001ee80: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-0001ee90: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n-0001eea0: 6b65 3d22 2362 6662 6662 6622 2070 6f69 ke=\"#bfbfbf\" poi\n-0001eeb0: 6e74 733d 2231 3437 332e 3636 2c2d 3839 nts=\"1473.66,-89\n-0001eec0: 352e 3431 2031 3438 342e 3032 2c2d 3839 5.41 1484.02,-89\n-0001eed0: 372e 3636 2031 3437 372e 3333 2c2d 3838 7.66 1477.33,-88\n-0001eee0: 392e 3435 2031 3437 332e 3636 2c2d 3839 9.45 1473.66,-89\n-0001eef0: 352e 3431 222f 3e0a 3c2f 673e 0a3c 212d 5.41\"/>.</g>.<!-\n-0001ef00: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-0001ef10: 6d61 6373 5f6d 6474 7970 6573 2623 3435 macs_mdtypes-\n-0001ef20: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001ef30: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n-0001ef40: 666f 7263 6573 5f61 7768 202d 2d3e 0a3c forces_awh -->.<\n-0001ef50: 6720 6964 3d22 6564 6765 3139 3322 2063 g id=\"edge193\" c\n-0001ef60: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-0001ef70: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-0001ef80: 726f 6d61 6373 5f6d 6474 7970 6573 2623 romacs_mdtypes&#\n-0001ef90: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001efa0: 635f 6772 6f6d 6163 735f 6170 706c 6965 c_gromacs_applie\n-0001efb0: 645f 666f 7263 6573 5f61 7768 3c2f 7469 d_forces_awh</ti\n-0001efc0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0001efd0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0001efe0: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-0001eff0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-0001f000: 3d22 4d31 3134 342e 3434 2c2d 3733 312e =\"M1144.44,-731.\n-0001f010: 3933 4331 3138 392e 3433 2c2d 3735 332e 93C1189.43,-753.\n-0001f020: 3535 2031 3238 382e 3333 2c2d 3830 352e 55 1288.33,-805.\n-0001f030: 3036 2031 3333 342e 3335 2c2d 3833 302e 06 1334.35,-830.\n-0001f040: 3731 222f 3e0a 3c70 6f6c 7967 6f6e 2066 71\"/>.<polygon f\n-0001f050: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n-0001f060: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n-0001f070: 6f69 6e74 733d 2231 3333 322e 3635 2c2d oints=\"1332.65,-\n-0001f080: 3833 332e 3736 2031 3334 332e 3038 2c2d 833.76 1343.08,-\n-0001f090: 3833 352e 3632 2031 3333 362e 3038 2c2d 835.62 1336.08,-\n-0001f0a0: 3832 372e 3636 2031 3333 322e 3635 2c2d 827.66 1332.65,-\n-0001f0b0: 3833 332e 3736 222f 3e0a 3c2f 673e 0a3c 833.76\"/>.</g>.<\n-0001f0c0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001f0d0: 726f 6d61 6373 5f61 6e61 6c79 7369 7364 romacs_analysisd\n-0001f0e0: 6174 6126 2334 353b 2667 743b 6d6f 6475 ata->modu\n-0001f0f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n-0001f100: 696c 6569 6f20 2d2d 3e0a 3c67 2069 643d ileio -->.<g id=\n-0001f110: 2265 6467 6531 3937 2220 636c 6173 733d \"edge197\" class=\n-0001f120: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0001f130: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001f140: 735f 616e 616c 7973 6973 6461 7461 2623 s_analysisdata&#\n-0001f150: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001f160: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n-0001f170: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n-0001f180: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n-0001f190: 653d 2223 6266 6266 6266 2220 643d 224d e=\"#bfbfbf\" d=\"M\n-0001f1a0: 3131 3139 2e35 362c 2d31 3038 342e 3631 1119.56,-1084.61\n-0001f1b0: 4331 3131 392e 3536 2c2d 3130 3737 2e32 C1119.56,-1077.2\n-0001f1c0: 3720 3131 3139 2e35 362c 2d31 3036 372e 7 1119.56,-1067.\n-0001f1d0: 3738 2031 3131 392e 3536 2c2d 3130 3539 78 1119.56,-1059\n-0001f1e0: 2e31 3722 2f3e 0a3c 706f 6c79 676f 6e20 .17\"/>.<polygon \n-0001f1f0: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n-0001f200: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n-0001f210: 706f 696e 7473 3d22 3131 3233 2e30 362c points=\"1123.06,\n-0001f220: 2d31 3035 382e 3935 2031 3131 392e 3536 -1058.95 1119.56\n-0001f230: 2c2d 3130 3438 2e39 3520 3131 3136 2e30 ,-1048.95 1116.0\n-0001f240: 362c 2d31 3035 382e 3935 2031 3132 332e 6,-1058.95 1123.\n-0001f250: 3036 2c2d 3130 3538 2e39 3522 2f3e 0a3c 06,-1058.95\"/>.<\n-0001f260: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-0001f270: 7372 635f 6772 6f6d 6163 735f 6e62 6e78 src_gromacs_nbnx\n-0001f280: 6d26 2334 353b 2667 743b 6d6f 6475 6c65 m->module\n-0001f290: 5f73 7263 5f67 726f 6d61 6373 5f68 6172 _src_gromacs_har\n-0001f2a0: 6477 6172 6520 2d2d 3e0a 3c67 2069 643d dware -->.<g id=\n-0001f2b0: 2265 6467 6532 3032 2220 636c 6173 733d \"edge202\" class=\n-0001f2c0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0001f2d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001f2e0: 735f 6e62 6e78 6d26 2334 353b 2667 743b s_nbnxm->\n-0001f2f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001f300: 6373 5f68 6172 6477 6172 653c 2f74 6974 cs_hardware</tit\n-0001f310: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0001f320: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n-0001f330: 6422 2064 3d22 4d39 3739 2e35 332c 2d32 d\" d=\"M979.53,-2\n-0001f340: 3236 2e37 3943 3130 3437 2e33 382c 2d32 26.79C1047.38,-2\n-0001f350: 3437 2e38 3320 3132 3335 2e34 362c 2d33 47.83 1235.46,-3\n-0001f360: 3036 2e31 3620 3133 3136 2e30 382c 2d33 06.16 1316.08,-3\n-0001f370: 3331 2e31 3622 2f3e 0a3c 706f 6c79 676f 31.16\"/>.<polygo\n-0001f380: 6e20 6669 6c6c 3d22 7265 6422 2073 7472 n fill=\"red\" str\n-0001f390: 6f6b 653d 2272 6564 2220 706f 696e 7473 oke=\"red\" points\n-0001f3a0: 3d22 3133 3135 2e32 332c 2d33 3334 2e35 =\"1315.23,-334.5\n-0001f3b0: 3620 3133 3235 2e38 322c 2d33 3334 2e31 6 1325.82,-334.1\n-0001f3c0: 3820 3133 3137 2e33 312c 2d33 3237 2e38 8 1317.31,-327.8\n-0001f3d0: 3820 3133 3135 2e32 332c 2d33 3334 2e35 8 1315.23,-334.5\n-0001f3e0: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6\"/>.</g>.<!-- m\n-0001f3f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001f400: 735f 6e62 6e78 6d26 2334 353b 2667 743b s_nbnxm->\n-0001f410: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001f420: 6373 5f64 6f6d 6465 6320 2d2d 3e0a 3c67 cs_domdec -->.<g\n-0001f430: 2069 643d 2265 6467 6532 3031 2220 636c id=\"edge201\" cl\n-0001f440: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-0001f450: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-0001f460: 6f6d 6163 735f 6e62 6e78 6d26 2334 353b omacs_nbnxm-\n-0001f470: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001f480: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74 romacs_domdec</t\n-0001f490: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0001f4a0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0001f4b0: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-0001f4c0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-0001f4d0: 643d 224d 3935 352e 3139 2c2d 3233 312e d=\"M955.19,-231.\n-0001f4e0: 3438 4339 3530 2e38 322c 2d32 3533 2e35 48C950.82,-253.5\n-0001f4f0: 3520 3933 352e 3536 2c2d 3330 312e 3136 5 935.56,-301.16\n-0001f500: 2039 3335 2e35 362c 2d33 3432 2e37 3920 935.56,-342.79 \n-0001f510: 3933 352e 3536 2c2d 3430 372e 3636 2039 935.56,-407.66 9\n-0001f520: 3335 2e35 362c 2d34 3037 2e36 3620 3933 35.56,-407.66 93\n-0001f530: 352e 3536 2c2d 3430 372e 3636 2039 3335 5.56,-407.66 935\n-0001f540: 2e35 362c 2d34 3639 2e34 3320 3931 382e .56,-469.43 918.\n-0001f550: 3734 2c2d 3439 322e 3838 2039 3530 2e35 74,-492.88 950.5\n-0001f560: 362c 2d35 3435 2e38 3320 3936 352e 3233 6,-545.83 965.23\n-0001f570: 2c2d 3537 302e 3234 2039 3838 2e37 362c ,-570.24 988.76,\n-0001f580: 2d35 3537 2e35 2031 3030 332e 3536 2c2d -557.5 1003.56,-\n-0001f590: 3538 312e 3833 2031 3031 332e 3233 2c2d 581.83 1013.23,-\n-0001f5a0: 3539 372e 3733 2031 3031 342e 3937 2c2d 597.73 1014.97,-\n-0001f5b0: 3631 392e 3034 2031 3031 332e 3037 2c2d 619.04 1013.07,-\n-0001f5c0: 3633 342e 3933 222f 3e0a 3c70 6f6c 7967 634.93\"/>.<polyg\n-0001f5d0: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n-0001f5e0: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n-0001f5f0: 6322 2070 6f69 6e74 733d 2231 3030 392e c\" points=\"1009.\n-0001f600: 3539 2c2d 3633 342e 3436 2031 3031 312e 59,-634.46 1011.\n-0001f610: 3232 2c2d 3634 342e 3933 2031 3031 362e 22,-644.93 1016.\n-0001f620: 3438 2c2d 3633 352e 3733 2031 3030 392e 48,-635.73 1009.\n-0001f630: 3539 2c2d 3633 342e 3436 222f 3e0a 3c2f 59,-634.46\"/>.</\n-0001f640: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-0001f650: 7263 5f67 726f 6d61 6373 5f6e 626e 786d rc_gromacs_nbnxm\n-0001f660: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001f670: 7372 635f 6772 6f6d 6163 735f 6770 755f src_gromacs_gpu_\n-0001f680: 7574 696c 7320 2d2d 3e0a 3c67 2069 643d utils -->.<g id=\n-0001f690: 2265 6467 6531 3938 2220 636c 6173 733d \"edge198\" class=\n-0001f6a0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0001f6b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001f6c0: 735f 6e62 6e78 6d26 2334 353b 2667 743b s_nbnxm->\n-0001f6d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001f6e0: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469 cs_gpu_utils</ti\n-0001f6f0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0001f700: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n-0001f710: 6564 2220 643d 224d 3938 352e 3339 2c2d ed\" d=\"M985.39,-\n-0001f720: 3232 322e 3639 4331 3036 342e 3437 2c2d 222.69C1064.47,-\n-0001f730: 3233 322e 3636 2031 3237 342e 3135 2c2d 232.66 1274.15,-\n-0001f740: 3236 302e 3438 2031 3336 372e 3136 2c2d 260.48 1367.16,-\n-0001f750: 3237 332e 3322 2f3e 0a3c 706f 6c79 676f 273.3\"/>.<polygo\n-0001f760: 6e20 6669 6c6c 3d22 7265 6422 2073 7472 n fill=\"red\" str\n-0001f770: 6f6b 653d 2272 6564 2220 706f 696e 7473 oke=\"red\" points\n-0001f780: 3d22 3133 3636 2e37 332c 2d32 3736 2e37 =\"1366.73,-276.7\n-0001f790: 3720 3133 3737 2e31 312c 2d32 3734 2e36 7 1377.11,-274.6\n-0001f7a0: 3720 3133 3637 2e36 392c 2d32 3639 2e38 7 1367.69,-269.8\n-0001f7b0: 3420 3133 3636 2e37 332c 2d32 3736 2e37 4 1366.73,-276.7\n-0001f7c0: 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 7\"/>.</g>.<!-- m\n-0001f7d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001f7e0: 735f 6e62 6e78 6d26 2334 353b 2667 743b s_nbnxm->\n-0001f7f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001f800: 6373 5f67 6d78 6c69 6220 2d2d 3e0a 3c67 cs_gmxlib -->.<g\n-0001f810: 2069 643d 2265 6467 6532 3033 2220 636c id=\"edge203\" cl\n-0001f820: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-0001f830: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-0001f840: 6f6d 6163 735f 6e62 6e78 6d26 2334 353b omacs_nbnxm-\n-0001f850: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001f860: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74 romacs_gmxlib</t\n-0001f870: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0001f880: 3d22 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3933 2e34 3422 1 689.68,-93.44\"\n-0001f970: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-0001f980: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001f990: 6e62 6e78 6d26 2334 353b 2667 743b 6d6f nbnxm->mo\n-0001f9a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001f9b0: 5f6d 6474 7970 6573 202d 2d3e 0a3c 6720 _mdtypes -->.<g \n-0001f9c0: 6964 3d22 6564 6765 3139 3922 2063 6c61 id=\"edge199\" cla\n-0001f9d0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-0001f9e0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-0001f9f0: 6d61 6373 5f6e 626e 786d 2623 3435 3b26 macs_nbnxm-&\n-0001fa00: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001fa10: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes</t\n-0001fa20: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0001fa30: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0001fa40: 7265 6422 2064 3d22 4d39 3533 2e36 342c red\" d=\"M953.64,\n-0001fa50: 2d32 3331 2e37 3143 3935 312e 3534 2c2d -231.71C951.54,-\n-0001fa60: 3236 312e 3833 2039 3436 2e35 362c 2d33 261.83 946.56,-3\n-0001fa70: 3430 2e31 3520 3934 362e 3536 2c2d 3430 40.15 946.56,-40\n-0001fa80: 352e 3636 2039 3436 2e35 362c 2d34 3730 5.66 946.56,-470\n-0001fa90: 2e35 3320 3934 362e 3536 2c2d 3437 302e .53 946.56,-470.\n-0001faa0: 3533 2039 3436 2e35 362c 2d34 3730 2e35 53 946.56,-470.5\n-0001fab0: 3320 3934 362e 3536 2c2d 3532 342e 3738 3 946.56,-524.78\n-0001fac0: 2031 3035 382e 3837 2c2d 3635 322e 3231 1058.87,-652.21\n-0001fad0: 2031 3130 332e 3535 2c2d 3730 302e 3736 1103.55,-700.76\n-0001fae0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-0001faf0: 6c3d 2272 6564 2220 7374 726f 6b65 3d22 l=\"red\" stroke=\"\n-0001fb00: 7265 6422 2070 6f69 6e74 733d 2231 3130 red\" points=\"110\n-0001fb10: 302e 3939 2c2d 3730 332e 3135 2031 3131 0.99,-703.15 111\n-0001fb20: 302e 3335 2c2d 3730 382e 3131 2031 3130 0.35,-708.11 110\n-0001fb30: 362e 3132 2c2d 3639 382e 3339 2031 3130 6.12,-698.39 110\n-0001fb40: 302e 3939 2c2d 3730 332e 3135 222f 3e0a 0.99,-703.15\"/>.\n-0001fb50: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-0001fb60: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e _src_gromacs_nbn\n-0001fb70: 786d 2623 3435 3b26 6774 3b6d 6f64 756c xm->modul\n-0001fb80: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n-0001fb90: 7374 6564 5f66 6f72 6365 7320 2d2d 3e0a sted_forces -->.\n-0001fba0: 3c67 2069 643d 2265 6467 6532 3034 2220 <g id=\"edge204\" \n-0001fbb0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-0001fbc0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-0001fbd0: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334 gromacs_nbnxm\n-0001fbe0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001fbf0: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n-0001fc00: 666f 7263 6573 3c2f 7469 746c 653e 0a3c forces</title>.<\n-0001fc10: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path 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207\n-0001fd00: 302e 382c 2d31 3538 2e32 3720 3230 3630 0.8,-158.27 2060\n-0001fd10: 2e36 362c 2d31 3535 2e32 3220 3230 3630 .66,-155.22 2060\n-0001fd20: 2e39 372c 2d31 3632 2e32 3122 2f3e 0a3c .97,-162.21\"/>.<\n-0001fd30: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-0001fd40: 7372 635f 6772 6f6d 6163 735f 6e62 6e78 src_gromacs_nbnx\n-0001fd50: 6d26 2334 353b 2667 743b 6d6f 6475 6c65 m->module\n-0001fd60: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n-0001fd70: 6c64 202d 2d3e 0a3c 6720 6964 3d22 6564 ld -->.<g id=\"ed\n-0001fd80: 6765 3230 3522 2063 6c61 7373 3d22 6564 ge205\" class=\"ed\n-0001fd90: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-0001fda0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e le_src_gromacs_n\n-0001fdb0: 626e 786d 2623 3435 3b26 6774 3b6d 6f64 bnxm->mod\n-0001fdc0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001fdd0: 6577 616c 643c 2f74 6974 6c65 3e0a 3c70 ewald</title>.<p\n-0001fde0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n-0001fdf0: 7374 726f 6b65 3d22 2332 6363 6332 3822 stroke=\"#2ccc28\"\n-0001fe00: 2073 7472 6f6b 652d 6461 7368 6172 7261 stroke-dasharra\n-0001fe10: 793d 2235 2c32 2220 643d 224d 3937 302e y=\"5,2\" d=\"M970.\n-0001fe20: 3239 2c2d 3233 302e 3134 4339 3739 2e37 29,-230.14C979.7\n-0001fe30: 332c 2d32 3339 2e39 3120 3939 302e 3937 3,-239.91 990.97\n-0001fe40: 2c2d 3235 342e 3536 2031 3030 302e 3536 ,-254.56 1000.56\n-0001fe50: 2c2d 3236 372e 3438 2031 3035 302e 3339 ,-267.48 1050.39\n-0001fe60: 2c2d 3333 342e 3632 2031 3034 322e 3331 ,-334.62 1042.31\n-0001fe70: 2c2d 3337 312e 3739 2031 3131 302e 3536 ,-371.79 1110.56\n-0001fe80: 2c2d 3432 302e 3039 2031 3134 362e 3435 ,-420.09 1146.45\n-0001fe90: 2c2d 3434 352e 3439 2031 3139 352e 3635 ,-445.49 1195.65\n-0001fea0: 2c2d 3435 372e 3639 2031 3232 392e 3235 ,-457.69 1229.25\n-0001feb0: 2c2d 3436 332e 3438 222f 3e0a 3c70 6f6c ,-463.48\"/>.<pol\n-0001fec0: 7967 6f6e 2066 696c 6c3d 2223 3263 6363 ygon 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6e78 6d26 2334 353b 2667 743b 6d6f nbnxm->mo\n-0001ffc0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001ffd0: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c _mdlib</title>.<\n-0001ffe0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001fff0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00020000: 2220 643d 224d 3935 312e 3134 2c2d 3233 \" d=\"M951.14,-23\n-00020010: 312e 3539 4339 3337 2e34 382c 2d32 3630 1.59C937.48,-260\n-00020020: 2e38 3420 3839 352e 3536 2c2d 3333 362e .84 895.56,-336.\n-00020030: 3335 2038 3935 2e35 362c 2d34 3035 2e36 35 895.56,-405.6\n-00020040: 3620 3839 352e 3536 2c2d 3437 302e 3533 6 895.56,-470.53\n-00020050: 2038 3935 2e35 362c 2d34 3730 2e35 3320 895.56,-470.53 \n-00020060: 3839 352e 3536 2c2d 3437 302e 3533 2038 895.56,-470.53 8\n-00020070: 3935 2e35 362c 2d34 3931 2e31 3720 3938 95.56,-491.17 98\n-00020080: 342e 3831 2c2d 3736 372e 3220 3130 3234 4.81,-767.2 1024\n-00020090: 2e35 362c 2d37 3937 2e33 3120 3131 3039 .56,-797.31 1109\n-000200a0: 2e31 342c 2d38 3631 2e33 3820 3131 3537 .14,-861.38 1157\n-000200b0: 2e39 332c 2d38 3036 2e33 3820 3132 3630 .93,-806.38 1260\n-000200c0: 2e35 362c 2d38 3333 2e33 3120 3132 3933 .56,-833.31 1293\n-000200d0: 2e32 2c2d 3834 312e 3837 2031 3239 392e .2,-841.87 1299.\n-000200e0: 3439 2c2d 3834 392e 3720 3133 3331 2e35 49,-849.7 1331.5\n-000200f0: 362c 2d38 3630 2e31 3820 3133 3737 2e35 6,-860.18 1377.5\n-00020100: 392c 2d38 3735 2e32 3220 3134 3331 2e33 9,-875.22 1431.3\n-00020110: 392c 2d38 3839 2e36 3520 3134 3635 2e31 9,-889.65 1465.1\n-00020120: 312c 2d38 3938 2e37 3922 2f3e 0a3c 706f 1,-898.79\"/>.<po\n-00020130: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662 lygon fill=\"#bfb\n-00020140: 6662 6622 2073 7472 6f6b 653d 2223 6266 fbf\" stroke=\"#bf\n-00020150: 6266 6266 2220 706f 696e 7473 3d22 3134 bfbf\" points=\"14\n-00020160: 3634 2e33 342c 2d39 3032 2e32 3120 3134 64.34,-902.21 14\n-00020170: 3734 2e39 312c 2d39 3031 2e34 3520 3134 74.91,-901.45 14\n-00020180: 3636 2e31 372c 2d38 3935 2e34 3520 3134 66.17,-895.45 14\n-00020190: 3634 2e33 342c 2d39 3032 2e32 3122 2f3e 64.34,-902.21\"/>\n-000201a0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-000201b0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-000201c0: 7275 6e75 7469 6c69 7479 2623 3435 3b26 runutility-&\n-000201d0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000201e0: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n-000201f0: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467 e -->.<g id=\"edg\n-00020200: 6532 3039 2220 636c 6173 733d 2265 6467 e209\" class=\"edg\n-00020210: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-00020220: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00020230: 7275 6e75 7469 6c69 7479 2623 3435 3b26 runutility-&\n-00020240: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00020250: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n-00020260: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e</title>.<path \n-00020270: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n-00020280: 6b65 3d22 626c 6163 6b22 2073 7472 6f6b ke=\"black\" strok\n-00020290: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-000202a0: 2220 643d 224d 3836 392e 3734 2c2d 3739 \" d=\"M869.74,-79\n-000202b0: 372e 3437 4338 3536 2e36 342c 2d38 3332 7.47C856.64,-832\n-000202c0: 2e34 3220 3832 302e 3539 2c2d 3933 332e .42 820.59,-933.\n-000202d0: 3838 2038 3038 2e35 362c 2d31 3032 312e 88 808.56,-1021.\n-000202e0: 3932 2038 3036 2e39 342c 2d31 3033 332e 92 806.94,-1033.\n-000202f0: 3735 2038 3035 2e30 342c 2d31 3033 372e 75 805.04,-1037.\n-00020300: 3338 2038 3038 2e35 362c 2d31 3034 382e 38 808.56,-1048.\n-00020310: 3739 2038 3131 2e36 342c 2d31 3035 382e 79 811.64,-1058.\n-00020320: 3739 2038 3137 2e35 372c 2d31 3036 382e 79 817.57,-1068.\n-00020330: 3537 2038 3233 2e35 362c 2d31 3037 362e 57 823.56,-1076.\n-00020340: 3639 222f 3e0a 3c70 6f6c 7967 6f6e 2066 69\"/>.<polygon 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635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00020440: 7275 6e75 7469 6c69 7479 2623 3435 3b26 runutility-&\n-00020450: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00020460: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio</ti\n-00020470: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00020480: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00020490: 6266 6266 6266 2220 643d 224d 3838 322e bfbfbf\" d=\"M882.\n-000204a0: 3832 2c2d 3739 372e 3137 4339 3030 2e30 82,-797.17C900.0\n-000204b0: 312c 2d38 3331 2e37 3620 3933 392e 3438 1,-831.76 939.48\n-000204c0: 2c2d 3933 312e 3033 2031 3030 342e 3536 ,-931.03 1004.56\n-000204d0: 2c2d 3938 352e 3932 2031 3032 382e 3437 ,-985.92 1028.47\n-000204e0: 2c2d 3130 3036 2e30 3920 3130 3631 2e37 ,-1006.09 1061.7\n-000204f0: 362c 2d31 3031 382e 3437 2031 3038 362e 6,-1018.47 1086.\n-00020500: 352c 2d31 3032 352e 3636 222f 3e0a 3c70 5,-1025.66\"/>.<p\n-00020510: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n-00020520: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n-00020530: 6662 6662 6622 2070 6f69 6e74 733d 2231 fbfbf\" points=\"1\n-00020540: 3038 352e 3632 2c2d 3130 3239 2e30 3520 085.62,-1029.05 \n-00020550: 3130 3936 2e31 392c 2d31 3032 382e 3334 1096.19,-1028.34\n-00020560: 2031 3038 372e 3439 2c2d 3130 3232 2e33 1087.49,-1022.3\n-00020570: 2031 3038 352e 3632 2c2d 3130 3239 2e30 1085.62,-1029.0\n-00020580: 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 5\"/>.</g>.<!-- m\n-00020590: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000205a0: 735f 6d64 7275 6e75 7469 6c69 7479 2623 s_mdrunutility&#\n-000205b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000205c0: 635f 6772 6f6d 6163 735f 6861 7264 7761 c_gromacs_hardwa\n-000205d0: 7265 202d 2d3e 0a3c 6720 6964 3d22 6564 re -->.<g id=\"ed\n-000205e0: 6765 3231 3122 2063 6c61 7373 3d22 6564 ge211\" class=\"ed\n-000205f0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-00020600: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00020610: 6472 756e 7574 696c 6974 7926 2334 353b drunutility-\n-00020620: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00020630: 726f 6d61 6373 5f68 6172 6477 6172 653c romacs_hardware<\n-00020640: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00020650: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00020660: 3d22 2362 6662 6662 6622 2064 3d22 4d39 =\"#bfbfbf\" d=\"M9\n-00020670: 3032 2e34 362c 2d37 3732 2e39 3543 3932 02.46,-772.95C92\n-00020680: 342e 3234 2c2d 3736 342e 3520 3935 342e 4.24,-764.5 954.\n-00020690: 3732 2c2d 3735 312e 3039 2039 3738 2e35 72,-751.09 978.5\n-000206a0: 362c 2d37 3334 2e34 3420 3939 322e 3434 6,-734.44 992.44\n-000206b0: 2c2d 3732 342e 3735 2039 3931 2e39 332c ,-724.75 991.93,\n-000206c0: 2d37 3137 2e36 3120 3130 3035 2e35 362c -717.61 1005.56,\n-000206d0: 2d37 3037 2e35 3720 3130 3333 2e30 392c -707.57 1033.09,\n-000206e0: 2d36 3837 2e32 3920 3130 3434 2e33 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726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-000208c0: 756e 3c2f 7469 746c 653e 0a3c 7061 7468 un</title>.<path\n-000208d0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n-000208e0: 6f6b 653d 2272 6564 2220 643d 224d 3839 oke=\"red\" d=\"M89\n-000208f0: 382e 3938 2c2d 3737 322e 3236 4339 3233 8.98,-772.26C923\n-00020900: 2e39 342c 2d37 3633 2e30 3220 3936 332e .94,-763.02 963.\n-00020910: 3137 2c2d 3734 382e 3837 2039 3936 2e35 17,-748.87 996.5\n-00020920: 362c 2d37 3334 2e34 3420 3130 3231 2e31 6,-734.44 1021.1\n-00020930: 372c 2d37 3233 2e38 3120 3130 3236 2e32 7,-723.81 1026.2\n-00020940: 332c 2d37 3138 2e38 3220 3130 3530 2e35 3,-718.82 1050.5\n-00020950: 362c 2d37 3037 2e35 3720 3131 3135 2e30 6,-707.57 1115.0\n-00020960: 362c 2d36 3737 2e37 3620 3131 3331 2e34 6,-677.76 1131.4\n-00020970: 382c 2d36 3730 2e38 3420 3131 3937 2e35 8,-670.84 1197.5\n-00020980: 362c 2d36 3434 2e37 2031 3233 332e 3333 6,-644.7 1233.33\n-00020990: 2c2d 3633 302e 3535 2031 3237 352e 3039 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6532 3037 2220 636c 6173 733d 2265 dge207\" class=\"e\n-00020a90: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-00020aa0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00020ab0: 6d64 7275 6e75 7469 6c69 7479 2623 3435 mdrunutility-\n-00020ac0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00020ad0: 6772 6f6d 6163 735f 676d 786c 6962 3c2f gromacs_gmxlib</\n-00020ae0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00020af0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00020b00: 2223 6266 6266 6266 2220 643d 224d 3832 \"#bfbfbf\" d=\"M82\n-00020b10: 372e 3331 2c2d 3738 322e 3438 4337 3337 7.31,-782.48C737\n-00020b20: 2e35 342c 2d37 3739 2e35 3520 3533 392e .54,-779.55 539.\n-00020b30: 3437 2c2d 3736 322e 3420 3430 362e 3536 47,-762.4 406.56\n-00020b40: 2c2d 3637 312e 3537 2033 3234 2e36 352c ,-671.57 324.65,\n-00020b50: 2d36 3135 2e35 3920 3330 392e 3536 2c2d -615.59 309.56,-\n-00020b60: 3536 392e 3734 2033 3039 2e35 362c 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607\n-00020c50: 2e34 322c 2d39 332e 3635 2036 3038 2e31 .42,-93.65 608.1\n-00020c60: 322c 2d31 3030 2e36 3222 2f3e 0a3c 2f67 2,-100.62\"/>.</g\n-00020c70: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00020c80: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n-00020c90: 7469 6c69 7479 2623 3435 3b26 6774 3b6d tility->m\n-00020ca0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00020cb0: 735f 6d64 7479 7065 7320 2d2d 3e0a 3c67 s_mdtypes -->.<g\n-00020cc0: 2069 643d 2265 6467 6532 3038 2220 636c id=\"edge208\" cl\n-00020cd0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-00020ce0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-00020cf0: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n-00020d00: 7479 2623 3435 3b26 6774 3b6d 6f64 756c ty->modul\n-00020d10: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00020d20: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types</title>.<p\n-00020d30: 6174 6820 6669 6c6c 3d22 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module_src_g\n-00020e20: 726f 6d61 6373 5f66 6674 2623 3435 3b26 romacs_fft-&\n-00020e30: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00020e40: 6f6d 6163 735f 6861 7264 7761 7265 202d omacs_hardware -\n-00020e50: 2d3e 0a3c 6720 6964 3d22 6564 6765 3231 ->.<g id=\"edge21\n-00020e60: 3322 2063 6c61 7373 3d22 6564 6765 223e 3\" class=\"edge\">\n-00020e70: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00020e80: 7263 5f67 726f 6d61 6373 5f66 6674 2623 rc_gromacs_fft&#\n-00020e90: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00020ea0: 635f 6772 6f6d 6163 735f 6861 7264 7761 c_gromacs_hardwa\n-00020eb0: 7265 3c2f 7469 746c 653e 0a3c 7061 7468 re</title>.<path\n-00020ec0: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n-00020ed0: 6f6b 653d 2272 6564 2220 643d 224d 3139 oke=\"red\" d=\"M19\n-00020ee0: 3234 2e35 322c 2d34 3033 4331 3833 322e 24.52,-403C1832.\n-00020ef0: 3238 2c2d 3339 332e 3620 3135 3230 2e31 28,-393.6 1520.1\n-00020f00: 382c 2d33 3631 2e37 3720 3134 3030 2e36 8,-361.77 1400.6\n-00020f10: 362c 2d33 3439 2e35 3922 2f3e 0a3c 706f 6,-349.59\"/>.<po\n-00020f20: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422 lygon fill=\"red\"\n-00020f30: 2073 7472 6f6b 653d 2272 6564 2220 706f stroke=\"red\" po\n-00020f40: 696e 7473 3d22 3134 3031 2e30 322c 2d33 ints=\"1401.02,-3\n-00020f50: 3436 2e31 3120 3133 3930 2e37 312c 2d33 46.11 1390.71,-3\n-00020f60: 3438 2e35 3720 3134 3030 2e33 312c 2d33 48.57 1400.31,-3\n-00020f70: 3533 2e30 3720 3134 3031 2e30 322c 2d33 53.07 1401.02,-3\n-00020f80: 3436 2e31 3122 2f3e 0a3c 2f67 3e0a 3c21 46.11\"/>.</g>.<!\n-00020f90: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-00020fa0: 6f6d 6163 735f 6666 7426 2334 353b 2667 omacs_fft-&g\n-00020fb0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00020fc0: 6d61 6373 5f67 7075 5f75 7469 6c73 202d macs_gpu_utils -\n-00020fd0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3231 ->.<g id=\"edge21\n-00020fe0: 3222 2063 6c61 7373 3d22 6564 6765 223e 2\" class=\"edge\">\n-00020ff0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00021000: 7263 5f67 726f 6d61 6373 5f66 6674 2623 rc_gromacs_fft&#\n-00021010: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00021020: 635f 6772 6f6d 6163 735f 6770 755f 7574 c_gromacs_gpu_ut\n-00021030: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174 ils</title>.<pat\n-00021040: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n-00021050: 726f 6b65 3d22 2332 3832 6663 6322 2073 roke=\"#282fcc\" s\n-00021060: 7472 6f6b 652d 6461 7368 6172 7261 793d troke-dasharray=\n-00021070: 2235 2c32 2220 643d 224d 3139 3239 2e32 \"5,2\" d=\"M1929.2\n-00021080: 322c 2d33 3938 2e33 3143 3138 3836 2e31 2,-398.31C1886.1\n-00021090: 2c2d 3338 332e 3638 2031 3738 352e 3237 ,-383.68 1785.27\n-000210a0: 2c2d 3335 302e 3537 2031 3639 382e 3536 ,-350.57 1698.56\n-000210b0: 2c2d 3333 302e 3335 2031 3631 342e 3736 ,-330.35 1614.76\n-000210c0: 2c2d 3331 302e 3831 2031 3531 352e 3432 ,-310.81 1515.42\n-000210d0: 2c2d 3239 352e 3738 2031 3435 382e 3631 ,-295.78 1458.61\n-000210e0: 2c2d 3238 372e 3934 222f 3e0a 3c70 6f6c ,-287.94\"/>.<pol\n-000210f0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n-00021100: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n-00021110: 6663 6322 2070 6f69 6e74 733d 2231 3435 fcc\" points=\"145\n-00021120: 382e 3839 2c2d 3238 342e 3435 2031 3434 8.89,-284.45 144\n-00021130: 382e 3531 2c2d 3238 362e 3536 2031 3435 8.51,-286.56 145\n-00021140: 372e 3934 2c2d 3239 312e 3338 2031 3435 7.94,-291.38 145\n-00021150: 382e 3839 2c2d 3238 342e 3435 222f 3e0a 8.89,-284.45\"/>.\n-00021160: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-00021170: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973 _src_gromacs_lis\n-00021180: 7465 645f 666f 7263 6573 2623 3435 3b26 ted_forces-&\n-00021190: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000211a0: 6f6d 6163 735f 6861 7264 7761 7265 202d omacs_hardware -\n-000211b0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3232 ->.<g id=\"edge22\n-000211c0: 3122 2063 6c61 7373 3d22 6564 6765 223e 1\" class=\"edge\">\n-000211d0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-000211e0: 7263 5f67 726f 6d61 6373 5f6c 6973 7465 rc_gromacs_liste\n-000211f0: 645f 666f 7263 6573 2623 3435 3b26 6774 d_forces->\n-00021200: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00021210: 6163 735f 6861 7264 7761 7265 3c2f 7469 acs_hardware</ti\n-00021220: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00021230: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n-00021240: 6564 2220 643d 224d 3230 3730 2e38 322c ed\" d=\"M2070.82,\n-00021250: 2d31 3538 2e30 3843 3139 3737 2e39 362c -158.08C1977.96,\n-00021260: 2d31 3632 2e32 3520 3137 3732 2e31 392c -162.25 1772.19,\n-00021270: 2d31 3734 2e33 3320 3136 3031 2e35 362c -174.33 1601.56,\n-00021280: 2d32 3034 2e36 3120 3134 3933 2e38 342c -204.61 1493.84,\n-00021290: 2d32 3233 2e37 3320 3134 3335 2e38 392c 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7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-00021390: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n-000213a0: 6465 6320 2d2d 3e0a 3c67 2069 643d 2265 dec -->.<g id=\"e\n-000213b0: 6467 6532 3138 2220 636c 6173 733d 2265 dge218\" class=\"e\n-000213c0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-000213d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000213e0: 6c69 7374 6564 5f66 6f72 6365 7326 2334 listed_forces\n-000213f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00021400: 5f67 726f 6d61 6373 5f64 6f6d 6465 633c _gromacs_domdec<\n-00021410: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00021420: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00021430: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-00021440: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-00021450: 2220 643d 224d 3230 3730 2e35 342c 2d31 \" d=\"M2070.54,-1\n-00021460: 3537 2e38 3243 3139 3330 2e35 352c 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223e 0a3c class=\"edge\">.<\n-00021640: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00021650: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n-00021660: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n-00021670: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00021680: 735f 6770 755f 7574 696c 733c 2f74 6974 s_gpu_utils</tit\n-00021690: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-000216a0: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n-000216b0: 6422 2064 3d22 4d32 3037 332e 3234 2c2d d\" d=\"M2073.24,-\n-000216c0: 3136 302e 3331 4331 3939 392e 332c 2d31 160.31C1999.3,-1\n-000216d0: 3637 2e31 3620 3138 3532 2e30 362c 2d31 67.16 1852.06,-1\n-000216e0: 3832 2e33 3420 3137 3238 2e35 362c 2d32 82.34 1728.56,-2\n-000216f0: 3034 2e36 3120 3136 3237 2e38 322c 2d32 04.61 1627.82,-2\n-00021700: 3232 2e37 3820 3135 3131 2e30 392c 2d32 22.78 1511.09,-2\n-00021710: 3533 2e30 3420 3134 3531 2e36 382c 2d32 53.04 1451.68,-2\n-00021720: 3639 2e31 3122 2f3e 0a3c 706f 6c79 676f 69.11\"/>.<polygo\n-00021730: 6e20 6669 6c6c 3d22 7265 6422 2073 7472 n fill=\"red\" str\n-00021740: 6f6b 653d 2272 6564 2220 706f 696e 7473 oke=\"red\" points\n-00021750: 3d22 3134 3530 2e36 392c 2d32 3635 2e37 =\"1450.69,-265.7\n-00021760: 3520 3134 3431 2e39 352c 2d32 3731 2e37 5 1441.95,-271.7\n-00021770: 3520 3134 3532 2e35 322c 2d32 3732 2e35 5 1452.52,-272.5\n-00021780: 3120 3134 3530 2e36 392c 2d32 3635 2e37 1 1450.69,-265.7\n-00021790: 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 5\"/>.</g>.<!-- m\n-000217a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000217b0: 735f 6c69 7374 6564 5f66 6f72 6365 7326 s_listed_forces&\n-000217c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000217d0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-000217e0: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467 b -->.<g id=\"edg\n-000217f0: 6532 3139 2220 636c 6173 733d 2265 6467 e219\" class=\"edg\n-00021800: 6522 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726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-000219e0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n-000219f0: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n-00021a00: 653d 2272 6564 2220 643d 224d 3231 3232 e=\"red\" d=\"M2122\n-00021a10: 2e32 362c 2d31 3638 2e38 4332 3132 352e .26,-168.8C2125.\n-00021a20: 3131 2c2d 3139 312e 3135 2032 3133 302e 11,-191.15 2130.\n-00021a30: 3536 2c2d 3233 392e 3138 2032 3133 302e 56,-239.18 2130.\n-00021a40: 3536 2c2d 3237 392e 3932 2032 3133 302e 56,-279.92 2130.\n-00021a50: 3536 2c2d 3437 302e 3533 2032 3133 302e 56,-470.53 2130.\n-00021a60: 3536 2c2d 3437 302e 3533 2032 3133 302e 56,-470.53 2130.\n-00021a70: 3536 2c2d 3437 302e 3533 2032 3133 302e 56,-470.53 2130.\n-00021a80: 3536 2c2d 3637 302e 3936 2031 3337 302e 56,-670.96 1370.\n-00021a90: 3735 2c2d 3731 312e 3420 3131 3639 2e38 75,-711.4 1169.8\n-00021aa0: 322c 2d37 3138 2e35 3922 2f3e 0a3c 706f 2,-718.59\"/>.<po\n-00021ab0: 6c79 676f 6e20 6669 6c6c 3d22 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le_src_gromacs_l\n-00021ba0: 6973 7465 645f 666f 7263 6573 2623 3435 isted_forces-\n-00021bb0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00021bc0: 6772 6f6d 6163 735f 6e62 6e78 6d3c 2f74 gromacs_nbnxm</t\n-00021bd0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00021be0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00021bf0: 7265 6422 2064 3d22 4d32 3037 312e 3239 red\" d=\"M2071.29\n-00021c00: 2c2d 3135 382e 3632 4331 3932 392e 3832 ,-158.62C1929.82\n-00021c10: 2c2d 3136 352e 3336 2031 3531 302e 382c ,-165.36 1510.8,\n-00021c20: 2d31 3835 2e30 3120 3131 3632 2e35 362c -185.01 1162.56,\n-00021c30: 2d32 3034 2e36 3120 3131 3035 2e33 372c -204.61 1105.37,\n-00021c40: 2d32 3037 2e38 3320 3130 3338 2e39 372c -207.83 1038.97,\n-00021c50: 2d32 3132 2e30 3820 3939 362e 3733 2c2d -212.08 996.73,-\n-00021c60: 3231 342e 3639 222f 3e0a 3c70 6f6c 7967 214.69\"/>.<polyg\n-00021c70: 6f6e 2066 696c 6c3d 2272 6564 2220 7374 on fill=\"red\" st\n-00021c80: 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title>.<path fil\n-000224a0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-000224b0: 2223 6266 6266 6266 2220 643d 224d 3233 \"#bfbfbf\" d=\"M23\n-000224c0: 3233 2e33 2c2d 3130 342e 3332 4332 3334 23.3,-104.32C234\n-000224d0: 362e 3431 2c2d 3132 342e 3220 3233 3930 6.41,-124.2 2390\n-000224e0: 2e35 362c 2d31 3638 2e35 3220 3233 3930 .56,-168.52 2390\n-000224f0: 2e35 362c 2d32 3137 2e30 3520 3233 3930 .56,-217.05 2390\n-00022500: 2e35 362c 2d34 3730 2e35 3320 3233 3930 .56,-470.53 2390\n-00022510: 2e35 362c 2d34 3730 2e35 3320 3233 3930 .56,-470.53 2390\n-00022520: 2e35 362c 2d34 3730 2e35 3320 3233 3930 .56,-470.53 2390\n-00022530: 2e35 362c 2d36 3634 2e35 3820 3233 3732 .56,-664.58 2372\n-00022540: 2e30 342c 2d37 3834 2e30 3220 3231 3933 .04,-784.02 2193\n-00022550: 2e35 362c 2d38 3630 2e31 3820 3138 3133 .56,-860.18 1813\n-00022560: 2e34 322c 2d31 3032 322e 3420 3132 3938 .42,-1022.4 1298\n-00022570: 2e35 342c 2d31 3033 342e 3536 2031 3135 .54,-1034.56 115\n-00022580: 362e 3932 2c2d 3130 3334 2e36 3722 2f3e 6.92,-1034.67\"/>\n-00022590: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-000225a0: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n-000225b0: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n-000225c0: 3d22 3131 3536 2e36 332c 2d31 3033 312e =\"1156.63,-1031.\n-000225d0: 3137 2031 3134 362e 3632 2c2d 3130 3334 17 1146.62,-1034\n-000225e0: 2e36 3520 3131 3536 2e36 322c 2d31 3033 .65 1156.62,-103\n-000225f0: 382e 3137 2031 3135 362e 3633 2c2d 3130 8.17 1156.63,-10\n-00022600: 3331 2e31 3722 2f3e 0a3c 2f67 3e0a 3c21 31.17\"/>.</g>.<!\n-00022610: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-00022620: 6f6d 6163 735f 7461 626c 6573 2623 3435 omacs_tables-\n-00022630: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00022640: 6772 6f6d 6163 735f 6d64 7370 616e 202d gromacs_mdspan -\n-00022650: 2d3e 0a3c 6720 6964 3d22 6564 6765 3232 ->.<g id=\"edge22\n-00022660: 3422 2063 6c61 7373 3d22 6564 6765 223e 4\" class=\"edge\">\n-00022670: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00022680: 7263 5f67 726f 6d61 6373 5f74 6162 6c65 rc_gromacs_table\n-00022690: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-000226a0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6473 _src_gromacs_mds\n-000226b0: 7061 6e3c 2f74 6974 6c65 3e0a 3c70 6174 pan</title>.<pat\n-000226c0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n-000226d0: 726f 6b65 3d22 2332 3832 6663 6322 2073 roke=\"#282fcc\" s\n-000226e0: 7472 6f6b 652d 6461 7368 6172 7261 793d troke-dasharray=\n-000226f0: 2235 2c32 2220 643d 224d 3233 3230 2e39 \"5,2\" d=\"M2320.9\n-00022700: 342c 2d37 392e 3537 4332 3332 392e 3037 4,-79.57C2329.07\n-00022710: 2c2d 3731 2e31 3720 3233 3430 2e32 322c ,-71.17 2340.22,\n-00022720: 2d35 392e 3638 2032 3334 392e 3638 2c2d -59.68 2349.68,-\n-00022730: 3439 2e39 3222 2f3e 0a3c 706f 6c79 676f 49.92\"/>.<polygo\n-00022740: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n 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2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-00022840: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n-00022850: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes</title>.<pa\n-00022860: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n-00022870: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n-00022880: 643d 224d 3233 3037 2e39 342c 2d31 3035 d=\"M2307.94,-105\n-00022890: 2e37 3443 3233 3033 2e33 352c 2d31 3432 .74C2303.35,-142\n-000228a0: 2e31 3220 3232 3930 2e35 362c 2d32 3531 .12 2290.56,-251\n-000228b0: 2e35 3720 3232 3930 2e35 362c 2d33 3432 .57 2290.56,-342\n-000228c0: 2e37 3920 3232 3930 2e35 362c 2d34 3037 .79 2290.56,-407\n-000228d0: 2e36 3620 3232 3930 2e35 362c 2d34 3037 .66 2290.56,-407\n-000228e0: 2e36 3620 3232 3930 2e35 362c 2d34 3037 .66 2290.56,-407\n-000228f0: 2e36 3620 3232 3930 2e35 362c 2d35 3632 .66 2290.56,-562\n-00022900: 2e33 2032 3135 322e 3635 2c2d 3535 372e .3 2152.65,-557.\n-00022910: 3938 2032 3030 362e 3536 2c2d 3630 382e 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6467 6532 3236 2220 636c 6173 733d 2265 dge226\" class=\"e\n-00022be0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-00022bf0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00022c00: 6577 616c 6426 2334 353b 2667 743b 6d6f ewald->mo\n-00022c10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00022c20: 5f64 6f6d 6465 633c 2f74 6974 6c65 3e0a _domdec</title>.\n-00022c30: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n-00022c40: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n-00022c50: 6322 2073 7472 6f6b 652d 6461 7368 6172 c\" stroke-dashar\n-00022c60: 7261 793d 2235 2c32 2220 643d 224d 3132 ray=\"5,2\" d=\"M12\n-00022c70: 3338 2e31 392c 2d34 3732 2e33 3643 3132 38.19,-472.36C12\n-00022c80: 3036 2e32 2c2d 3437 362e 3037 2031 3135 06.2,-476.07 115\n-00022c90: 352e 3239 2c2d 3438 372e 3031 2031 3132 5.29,-487.01 112\n-00022ca0: 352e 3536 2c2d 3531 382e 3936 2031 3039 5.56,-518.96 109\n-00022cb0: 372e 3538 2c2d 3534 392e 3032 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le_src_gromacs_e\n-00022da0: 7761 6c64 2623 3435 3b26 6774 3b6d 6f64 wald->mod\n-00022db0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00022dc0: 6770 755f 7574 696c 7320 2d2d 3e0a 3c67 gpu_utils -->.<g\n-00022dd0: 2069 643d 2265 6467 6532 3238 2220 636c id=\"edge228\" cl\n-00022de0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-00022df0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-00022e00: 6f6d 6163 735f 6577 616c 6426 2334 353b omacs_ewald-\n-00022e10: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00022e20: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n-00022e30: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n-00022e40: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n-00022e50: 653d 2272 6564 2220 643d 224d 3132 3636 e=\"red\" d=\"M1266\n-00022e60: 2e36 2c2d 3435 352e 3832 4331 3236 372e .6,-455.82C1267.\n-00022e70: 3335 2c2d 3432 392e 3332 2031 3237 322e 35,-429.32 1272.\n-00022e80: 3636 2c2d 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>module_src_g\n-00022f70: 726f 6d61 6373 5f67 6d78 6c69 6220 2d2d romacs_gmxlib --\n-00022f80: 3e0a 3c67 2069 643d 2265 6467 6532 3237 >.<g id=\"edge227\n-00022f90: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-00022fa0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00022fb0: 635f 6772 6f6d 6163 735f 6577 616c 6426 c_gromacs_ewald&\n-00022fc0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00022fd0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-00022fe0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b</title>.<path \n-00022ff0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n-00023000: 6b65 3d22 2362 6662 6662 6622 2064 3d22 ke=\"#bfbfbf\" d=\"\n-00023010: 4d31 3234 392e 362c 2d34 3538 2e35 4331 M1249.6,-458.5C1\n-00023020: 3232 342e 3432 2c2d 3433 392e 3831 2031 224.42,-439.81 1\n-00023030: 3137 372e 3935 2c2d 3339 372e 3836 2031 177.95,-397.86 1\n-00023040: 3134 342e 3536 2c2d 3335 372e 3232 2031 144.56,-357.22 1\n-00023050: 3037 312e 3735 2c2d 3236 382e 3620 3130 071.75,-268.6 10\n-00023060: 3939 2e37 312c 2d32 3032 2e37 2031 3030 99.71,-202.7 100\n-00023070: 322e 3536 2c2d 3134 312e 3734 2039 3530 2.56,-141.74 950\n-00023080: 2e38 342c 2d31 3039 2e32 3820 3737 322e .84,-109.28 772.\n-00023090: 3337 2c2d 3938 2e32 3720 3639 302e 3238 37,-98.27 690.28\n-000230a0: 2c2d 3934 2e37 3922 2f3e 0a3c 706f 6c79 ,-94.79\"/>.<poly\n-000230b0: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n-000230c0: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n-000230d0: 6266 2220 706f 696e 7473 3d22 3639 302e bf\" points=\"690.\n-000230e0: 3139 2c2d 3931 2e32 3820 3638 302e 3036 19,-91.28 680.06\n-000230f0: 2c2d 3934 2e33 3720 3638 392e 3931 2c2d ,-94.37 689.91,-\n-00023100: 3938 2e32 3720 3639 302e 3139 2c2d 3931 98.27 690.19,-91\n-00023110: 2e32 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d .28\"/>.</g>.<!--\n-00023120: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-00023130: 6163 735f 6577 616c 6426 2334 353b 2667 acs_ewald-&g\n-00023140: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00023150: 6d61 6373 5f6d 6474 7970 6573 202d 2d3e macs_mdtypes -->\n-00023160: 0a3c 6720 6964 3d22 6564 6765 3233 3022 .<g id=\"edge230\"\n-00023170: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-00023180: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00023190: 5f67 726f 6d61 6373 5f65 7761 6c64 2623 _gromacs_ewald&#\n-000231a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000231b0: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n-000231c0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s</title>.<path \n-000231d0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n-000231e0: 6b65 3d22 7265 6422 2064 3d22 4d31 3237 ke=\"red\" d=\"M127\n-000231f0: 332e 3133 2c2d 3438 322e 3737 4331 3237 3.13,-482.77C127\n-00023200: 352e 3831 2c2d 3439 382e 3120 3132 3734 5.81,-498.1 1274\n-00023210: 2e33 2c2d 3532 342e 3920 3132 3635 2e35 .3,-524.9 1265.5\n-00023220: 362c 2d35 3435 2e38 3320 3132 3338 2e33 6,-545.83 1238.3\n-00023230: 372c 2d36 3130 2e39 3220 3131 3830 2e33 7,-610.92 1180.3\n-00023240: 322c 2d36 3732 2e36 2031 3134 362e 362c 2,-672.6 1146.6,\n-00023250: 2d37 3032 2e30 3222 2f3e 0a3c 706f 6c79 -702.02\"/>.<poly\n-00023260: 676f 6e20 6669 6c6c 3d22 7265 6422 2073 gon fill=\"red\" s\n-00023270: 7472 6f6b 653d 2272 6564 2220 706f 696e troke=\"red\" poin\n-00023280: 7473 3d22 3131 3433 2e39 372c 2d36 3939 ts=\"1143.97,-699\n-00023290: 2e36 3620 3131 3338 2e35 392c 2d37 3038 .66 1138.59,-708\n-000232a0: 2e37 3820 3131 3438 2e34 392c 2d37 3035 .78 1148.49,-705\n-000232b0: 2e30 3120 3131 3433 2e39 372c 2d36 3939 .01 1143.97,-699\n-000232c0: 2e36 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d .66\"/>.</g>.<!--\n-000232d0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-000232e0: 6163 735f 6577 616c 6426 2334 353b 2667 acs_ewald-&g\n-000232f0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00023300: 6d61 6373 5f6e 626e 786d 202d 2d3e 0a3c macs_nbnxm -->.<\n-00023310: 6720 6964 3d22 6564 6765 3233 3122 2063 g id=\"edge231\" c\n-00023320: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-00023330: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00023340: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n-00023350: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00023360: 6772 6f6d 6163 735f 6e62 6e78 6d3c 2f74 gromacs_nbnxm</t\n-00023370: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00023380: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00023390: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-000233a0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-000233b0: 643d 224d 3132 3338 2e32 322c 2d34 3636 d=\"M1238.22,-466\n-000233c0: 2e35 3643 3132 3031 2e32 342c 2d34 3632 .56C1201.24,-462\n-000233d0: 2e36 3620 3131 3336 2e37 392c 2d34 3531 .66 1136.79,-451\n-000233e0: 2e33 3920 3130 3932 2e35 362c 2d34 3230 .39 1092.56,-420\n-000233f0: 2e30 3920 3130 3234 2e33 312c 2d33 3731 .09 1024.31,-371\n-00023400: 2e37 3920 3130 3332 2e33 392c 2d33 3334 .79 1032.39,-334\n-00023410: 2e36 3220 3938 322e 3536 2c2d 3236 372e .62 982.56,-267.\n-00023420: 3438 2039 3735 2e38 392c 2d32 3538 2e34 48 975.89,-258.4\n-00023430: 3920 3936 382e 3432 2c2d 3234 382e 3637 9 968.42,-248.67\n-00023440: 2039 3632 2e35 382c 2d32 3430 2e32 3322 962.58,-240.23\"\n-00023450: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-00023460: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-00023470: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n-00023480: 7473 3d22 3936 352e 3431 2c2d 3233 382e ts=\"965.41,-238.\n-00023490: 3136 2039 3537 2c2d 3233 312e 3732 2039 16 957,-231.72 9\n-000234a0: 3539 2e35 362c 2d32 3432 2039 3635 2e34 59.56,-242 965.4\n-000234b0: 312c 2d32 3338 2e31 3622 2f3e 0a3c 2f67 1,-238.16\"/>.</g\n-000234c0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-000234d0: 635f 6772 6f6d 6163 735f 6577 616c 6426 c_gromacs_ewald&\n-000234e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000234f0: 7263 5f67 726f 6d61 6373 5f66 6674 202d rc_gromacs_fft -\n-00023500: 2d3e 0a3c 6720 6964 3d22 6564 6765 3233 ->.<g id=\"edge23\n-00023510: 3222 2063 6c61 7373 3d22 6564 6765 223e 2\" class=\"edge\">\n-00023520: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00023530: 7263 5f67 726f 6d61 6373 5f65 7761 6c64 rc_gromacs_ewald\n-00023540: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00023550: 7372 635f 6772 6f6d 6163 735f 6666 743c src_gromacs_fft<\n-00023560: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00023570: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00023580: 3d22 7265 6422 2064 3d22 4d31 3239 342e =\"red\" d=\"M1294.\n-00023590: 3635 2c2d 3436 362e 3033 4331 3430 322e 65,-466.03C1402.\n-000235a0: 3735 2c2d 3435 362e 3431 2031 3739 312e 75,-456.41 1791.\n-000235b0: 3935 2c2d 3432 312e 3737 2031 3931 332e 95,-421.77 1913.\n-000235c0: 3831 2c2d 3431 302e 3933 222f 3e0a 3c70 81,-410.93\"/>.<p\n-000235d0: 6f6c 7967 6f6e 2066 696c 6c3d 2272 6564 olygon fill=\"red\n-000235e0: 2220 7374 726f 6b65 3d22 7265 6422 2070 \" stroke=\"red\" p\n-000235f0: 6f69 6e74 733d 2231 3931 342e 3435 2c2d oints=\"1914.45,-\n-00023600: 3431 342e 3338 2031 3932 342e 312c 2d34 414.38 1924.1,-4\n-00023610: 3130 2e30 3120 3139 3133 2e38 332c 2d34 10.01 1913.83,-4\n-00023620: 3037 2e34 3120 3139 3134 2e34 352c 2d34 07.41 1914.45,-4\n-00023630: 3134 2e33 3822 2f3e 0a3c 2f67 3e0a 3c21 14.38\"/>.</g>.<!\n-00023640: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-00023650: 6f6d 6163 735f 6577 616c 6426 2334 353b omacs_ewald-\n-00023660: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00023670: 726f 6d61 6373 5f6d 646c 6962 202d 2d3e romacs_mdlib -->\n-00023680: 0a3c 6720 6964 3d22 6564 6765 3232 3922 .<g id=\"edge229\"\n-00023690: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-000236a0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-000236b0: 5f67 726f 6d61 6373 5f65 7761 6c64 2623 _gromacs_ewald&#\n-000236c0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000236d0: 635f 6772 6f6d 6163 735f 6d64 6c69 623c c_gromacs_mdlib<\n-000236e0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-000236f0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00023700: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n-00023710: 3239 312e 3433 2c2d 3437 362e 3537 4331 291.43,-476.57C1\n-00023720: 3333 322e 3338 2c2d 3438 372e 3939 2031 332.38,-487.99 1\n-00023730: 3430 392e 3634 2c2d 3531 322e 3231 2031 409.64,-512.21 1\n-00023740: 3432 302e 3536 2c2d 3531 382e 3936 2031 420.56,-518.96 1\n-00023750: 3438 342e 3233 2c2d 3535 382e 3239 2031 484.23,-558.29 1\n-00023760: 3530 382e 3234 2c2d 3537 332e 3932 2031 508.24,-573.92 1\n-00023770: 3533 322e 3536 2c2d 3634 342e 3720 3135 532.56,-644.7 15\n-00023780: 3430 2e33 332c 2d36 3637 2e33 2031 3531 40.33,-667.3 151\n-00023790: 382e 342c 2d38 3236 2e37 3720 3135 3035 8.4,-826.77 1505\n-000237a0: 2e30 332c 2d38 3836 2e32 3922 2f3e 0a3c .03,-886.29\"/>.<\n-000237b0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-000237c0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-000237d0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-000237e0: 3135 3031 2e35 392c 2d38 3835 2e36 3420 1501.59,-885.64 \n-000237f0: 3135 3032 2e36 352c 2d38 3936 2e31 3820 1502.65,-896.18 \n-00023800: 3135 3038 2e33 392c 2d38 3837 2e32 3820 1508.39,-887.28 \n-00023810: 3135 3031 2e35 392c 2d38 3835 2e36 3422 1501.59,-885.64\"\n-00023820: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-00023830: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00023840: 6d61 7468 2623 3435 3b26 6774 3b6d 6f64 math->mod\n-00023850: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00023860: 6d64 7370 616e 202d 2d3e 0a3c 6720 6964 mdspan -->.<g id\n-00023870: 3d22 6564 6765 3233 3422 2063 6c61 7373 =\"edge234\" class\n-00023880: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+0001e9c0: 6373 5f67 6d78 6c69 6220 2d2d 3e0a 3c67 cs_gmxlib -->.<g\n+0001e9d0: 2069 643d 2265 6467 6531 3932 2220 636c id=\"edge192\" cl\n+0001e9e0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0001e9f0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0001ea00: 6f6d 6163 735f 646f 6d64 6563 2623 3435 omacs_domdec-\n+0001ea10: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001ea20: 6772 6f6d 6163 735f 676d 786c 6962 3c2f gromacs_gmxlib</\n+0001ea30: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001ea40: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001ea50: 2223 6266 6266 6266 2220 643d 224d 3130 \"#bfbfbf\" d=\"M10\n+0001ea60: 3335 2e35 312c 2d32 3837 2e33 4331 3133 35.51,-287.3C113\n+0001ea70: 352e 3339 2c2d 3330 342e 3433 2031 3433 5.39,-304.43 143\n+0001ea80: 362e 3638 2c2d 3335 382e 3634 2031 3436 6.68,-358.64 146\n+0001ea90: 332e 3536 2c2d 3339 332e 3232 2031 3530 3.56,-393.22 150\n+0001eaa0: 382e 3933 2c2d 3435 312e 3539 2031 3337 8.93,-451.59 137\n+0001eab0: 302e 392c 2d34 3134 2e38 3220 3133 3039 0.9,-414.82 1309\n+0001eac0: 2e35 362c 2d34 3536 2e30 3920 3131 3935 .56,-456.09 1195\n+0001ead0: 2e39 352c 2d35 3332 2e35 3320 3131 3839 .95,-532.53 1189\n+0001eae0: 2e36 312c 2d35 3833 2e35 3520 3131 3331 .61,-583.55 1131\n+0001eaf0: 2e35 362c 2d37 3037 2e35 3720 3131 3233 .56,-707.57 1123\n+0001eb00: 2e36 372c 2d37 3234 2e34 3320 3131 3138 .67,-724.43 1118\n+0001eb10: 2e34 382c 2d37 3434 2e39 3220 3131 3135 .48,-744.92 1115\n+0001eb20: 2e33 372c 2d37 3630 2e32 3722 2f3e 0a3c .37,-760.27\"/>.<\n+0001eb30: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+0001eb40: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+0001eb50: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+0001eb60: 3131 3131 2e38 372c 2d37 3539 2e39 3420 1111.87,-759.94 \n+0001eb70: 3131 3133 2e34 372c 2d37 3730 2e34 3120 1113.47,-770.41 \n+0001eb80: 3131 3138 2e37 352c 2d37 3631 2e32 3320 1118.75,-761.23 \n+0001eb90: 3131 3131 2e38 372c 2d37 3539 2e39 3422 1111.87,-759.94\"\n+0001eba0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+0001ebb0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001ebc0: 646f 6d64 6563 2623 3435 3b26 6774 3b6d domdec->m\n+0001ebd0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001ebe0: 735f 6669 6c65 696f 202d 2d3e 0a3c 6720 s_fileio -->.<g \n+0001ebf0: 6964 3d22 6564 6765 3139 3922 2063 6c61 id=\"edge199\" cla\n+0001ec00: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0001ec10: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0001ec20: 6d61 6373 5f64 6f6d 6465 6326 2334 353b macs_domdec-\n+0001ec30: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001ec40: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74 romacs_fileio</t\n+0001ec50: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0001ec60: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0001ec70: 2362 6662 6662 6622 2064 3d22 4d31 3033 #bfbfbf\" d=\"M103\n+0001ec80: 362e 3039 2c2d 3238 372e 3037 4331 3035 6.09,-287.07C105\n+0001ec90: 322e 3636 2c2d 3238 392e 3535 2031 3037 2.66,-289.55 107\n+0001eca0: 332e 3135 2c2d 3239 322e 3420 3130 3931 3.15,-292.4 1091\n+0001ecb0: 2e35 362c 2d32 3934 2e33 3520 3132 3034 .56,-294.35 1204\n+0001ecc0: 2e37 372c 2d33 3036 2e33 3220 3134 3934 .77,-306.32 1494\n+0001ecd0: 2e36 2c2d 3239 342e 3235 2031 3630 322e .6,-294.25 1602.\n+0001ece0: 3536 2c2d 3333 302e 3335 2031 3635 312e 56,-330.35 1651.\n+0001ecf0: 3238 2c2d 3334 362e 3634 2031 3636 362e 28,-346.64 1666.\n+0001ed00: 3434 2c2d 3335 332e 3935 2031 3639 392e 44,-353.95 1699.\n+0001ed10: 3536 2c2d 3339 332e 3232 2031 3731 392e 56,-393.22 1719.\n+0001ed20: 3137 2c2d 3431 362e 3437 2031 3731 372e 17,-416.47 1717.\n+0001ed30: 3538 2c2d 3432 372e 3034 2031 3732 362e 58,-427.04 1726.\n+0001ed40: 3536 2c2d 3435 362e 3039 2031 3733 362e 56,-456.09 1736.\n+0001ed50: 3737 2c2d 3438 392e 3131 2031 3733 342e 77,-489.11 1734.\n+0001ed60: 3336 2c2d 3538 322e 3231 2031 3735 362e 36,-582.21 1756.\n+0001ed70: 3536 2c2d 3630 382e 3720 3137 3539 2e37 56,-608.7 1759.7\n+0001ed80: 372c 2d36 3132 2e35 3320 3138 3135 2c2d 7,-612.53 1815,-\n+0001ed90: 3633 332e 3034 2031 3835 302e 3936 2c2d 633.04 1850.96,-\n+0001eda0: 3634 362e 3132 222f 3e0a 3c70 6f6c 7967 646.12\"/>.<polyg\n+0001edb0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n+0001edc0: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+0001edd0: 6622 2070 6f69 6e74 733d 2231 3834 392e f\" points=\"1849.\n+0001ede0: 3934 2c2d 3634 392e 3437 2031 3836 302e 94,-649.47 1860.\n+0001edf0: 3533 2c2d 3634 392e 3539 2031 3835 322e 53,-649.59 1852.\n+0001ee00: 3332 2c2d 3634 322e 3839 2031 3834 392e 32,-642.89 1849.\n+0001ee10: 3934 2c2d 3634 392e 3437 222f 3e0a 3c2f 94,-649.47\"/>.</\n+0001ee20: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0001ee30: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+0001ee40: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n+0001ee50: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+0001ee60: 756e 7574 696c 6974 7920 2d2d 3e0a 3c67 unutility -->.<g\n+0001ee70: 2069 643d 2265 6467 6531 3933 2220 636c id=\"edge193\" cl\n+0001ee80: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0001ee90: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0001eea0: 6f6d 6163 735f 646f 6d64 6563 2623 3435 omacs_domdec-\n+0001eeb0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001eec0: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n+0001eed0: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity</title>.<pa\n+0001eee0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n+0001eef0: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" 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2e35 3722 2f3e 0a3c 706f 1,-510.57\"/>.<po\n+0001eff0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n+0001f000: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n+0001f010: 3266 6363 2220 706f 696e 7473 3d22 3136 2fcc\" points=\"16\n+0001f020: 3832 2e37 382c 2d35 3038 2e38 2031 3638 82.78,-508.8 168\n+0001f030: 302e 3135 2c2d 3531 392e 3036 2031 3638 0.15,-519.06 168\n+0001f040: 382e 362c 2d35 3132 2e36 3820 3136 3832 8.6,-512.68 1682\n+0001f050: 2e37 382c 2d35 3038 2e38 222f 3e0a 3c2f .78,-508.8\"/>.</\n+0001f060: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0001f070: 7263 5f67 726f 6d61 6373 5f74 696d 696e rc_gromacs_timin\n+0001f080: 6720 2d2d 3e0a 3c67 2069 643d 226e 6f64 g -->.<g id=\"nod\n+0001f090: 6533 3322 2063 6c61 7373 3d22 6e6f 6465 e33\" class=\"node\n+0001f0a0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+0001f0b0: 5f73 7263 5f67 726f 6d61 6373 5f74 696d _src_gromacs_tim\n+0001f0c0: 696e 673c 2f74 6974 6c65 3e0a 3c65 6c6c ing</title>.<ell\n+0001f0d0: 6970 7365 2066 696c 6c3d 2223 6266 6266 ipse fill=\"#bfbf\n+0001f0e0: 6266 2220 7374 726f 6b65 3d22 626c 6163 bf\" stroke=\"blac\n+0001f0f0: 6b22 2063 783d 2239 3336 2e35 3622 2063 k\" cx=\"936.56\" c\n+0001f100: 793d 222d 3937 322e 3439 2220 7278 3d22 y=\"-972.49\" rx=\"\n+0001f110: 3330 2e33 3122 2072 793d 2231 332e 3337 30.31\" ry=\"13.37\n+0001f120: 222f 3e0a 3c74 6578 7420 7465 7874 2d61 \"/>.<text text-a\n+0001f130: 6e63 686f 723d 226d 6964 646c 6522 2078 nchor=\"middle\" x\n+0001f140: 3d22 3933 362e 3536 2220 793d 222d 3936 =\"936.56\" y=\"-96\n+0001f150: 392e 3939 2220 666f 6e74 2d66 616d 696c 9.99\" font-famil\n+0001f160: 793d 2246 7265 6553 616e 7322 2066 6f6e y=\"FreeSans\" fon\n+0001f170: 742d 7369 7a65 3d22 3130 2e30 3022 3e74 t-size=\"10.00\">t\n+0001f180: 696d 696e 673c 2f74 6578 743e 0a3c 2f67 iming</text>.</g\n+0001f190: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+0001f1a0: 635f 6772 6f6d 6163 735f 7469 6d69 6e67 c_gromacs_timing\n+0001f1b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001f1c0: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+0001f1d0: 7065 7320 2d2d 3e0a 3c67 2069 643d 2265 pes -->.<g id=\"e\n+0001f1e0: 6467 6532 3030 2220 636c 6173 733d 2265 dge200\" class=\"e\n+0001f1f0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+0001f200: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001f210: 7469 6d69 6e67 2623 3435 3b26 6774 3b6d timing->m\n+0001f220: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001f230: 735f 6d64 7479 7065 733c 2f74 6974 6c65 s_mdtypes</title\n+0001f240: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0001f250: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+0001f260: 6662 6622 2064 3d22 4d39 3236 2e38 382c fbf\" d=\"M926.88,\n+0001f270: 2d39 3539 2e34 3643 3932 302e 3233 2c2d -959.46C920.23,-\n+0001f280: 3935 312e 3231 2039 3131 2e32 362c 2d39 951.21 911.26,-9\n+0001f290: 3430 2e30 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ass=\"edge\">.<tit\n+0001f380: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0001f390: 6f6d 6163 735f 6d64 6c69 6226 2334 353b omacs_mdlib-\n+0001f3a0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001f3b0: 726f 6d61 6373 5f6e 626e 786d 3c2f 7469 romacs_nbnxm</ti\n+0001f3c0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001f3d0: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n+0001f3e0: 6564 2220 643d 224d 3937 352e 3931 2c2d ed\" d=\"M975.91,-\n+0001f3f0: 3232 312e 3233 4339 3233 2e38 342c 2d32 221.23C923.84,-2\n+0001f400: 3235 2e35 3920 3830 382e 3939 2c2d 3233 25.59 808.99,-23\n+0001f410: 372e 3637 2037 3136 2e35 362c 2d32 3637 7.67 716.56,-267\n+0001f420: 2e34 3820 3639 312e 3035 2c2d 3237 352e .48 691.05,-275.\n+0001f430: 3731 2036 3836 2e35 382c 2d32 3832 2e34 71 686.58,-282.4\n+0001f440: 3520 3636 322e 3536 2c2d 3239 342e 3335 5 662.56,-294.35\n+0001f450: 2036 3330 2e31 342c 2d33 3130 2e34 3120 630.14,-310.41 \n+0001f460: 3631 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3336 2e36 .32,-958.8 536.6\n+0001f550: 332c 2d39 3438 2e33 3420 3533 302e 3437 3,-948.34 530.47\n+0001f560: 2c2d 3935 312e 3639 222f 3e0a 3c2f 673e ,-951.69\"/>.</g>\n+0001f570: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+0001f580: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n+0001f590: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001f5a0: 635f 6772 6f6d 6163 735f 6861 7264 7761 c_gromacs_hardwa\n+0001f5b0: 7265 202d 2d3e 0a3c 6720 6964 3d22 6564 re -->.<g id=\"ed\n+0001f5c0: 6765 3231 3222 2063 6c61 7373 3d22 6564 ge212\" class=\"ed\n+0001f5d0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+0001f5e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0001f5f0: 646c 6962 2623 3435 3b26 6774 3b6d 6f64 dlib->mod\n+0001f600: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001f610: 6861 7264 7761 7265 3c2f 7469 746c 653e hardware</title>\n+0001f620: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .<path fill=\"non\n+0001f630: 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acs_mdlib-&g\n+0001f800: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001f810: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n+0001f820: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n+0001f830: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n+0001f840: 653d 2262 6c61 636b 2220 7374 726f 6b65 e=\"black\" stroke\n+0001f850: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+0001f860: 2064 3d22 4d31 3033 312e 372c 2d32 3139 d=\"M1031.7,-219\n+0001f870: 2e35 3343 3131 3334 2e35 322c 2d32 3231 .53C1134.52,-221\n+0001f880: 2e35 3920 3134 3835 2e35 372c 2d32 3331 .59 1485.57,-231\n+0001f890: 2e32 3520 3135 3138 2e35 362c 2d32 3637 .25 1518.56,-267\n+0001f8a0: 2e34 3820 3135 3634 2e32 322c 2d33 3137 .48 1564.22,-317\n+0001f8b0: 2e36 3420 3135 3439 2e34 382c 2d33 3539 .64 1549.48,-359\n+0001f8c0: 2e37 3220 3135 3138 2e35 362c 2d34 3230 .72 1518.56,-420\n+0001f8d0: 2e30 3920 3135 3036 2e30 382c 2d34 3434 .09 1506.08,-444\n+0001f8e0: 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e>module_src_gro\n+0001fab0: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n+0001fac0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001fad0: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes</t\n+0001fae0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0001faf0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0001fb00: 7265 6422 2064 3d22 4d39 3830 2e30 362c red\" d=\"M980.06,\n+0001fb10: 2d32 3235 2e36 3643 3839 372e 3137 2c2d -225.66C897.17,-\n+0001fb20: 3234 372e 3232 2036 3234 2e32 352c 2d33 247.22 624.25,-3\n+0001fb30: 3134 2e39 3620 3631 322e 3536 2c2d 3333 14.96 612.56,-33\n+0001fb40: 302e 3335 2034 3836 2e34 352c 2d34 3936 0.35 486.45,-496\n+0001fb50: 2e33 3420 3536 342e 3833 2c2d 3631 302e .34 564.83,-610.\n+0001fb60: 3132 2036 3536 2e35 362c 2d37 3937 2e33 12 656.56,-797.3\n+0001fb70: 3120 3637 312e 3335 2c2d 3832 372e 3439 1 671.35,-827.49\n+0001fb80: 2036 3731 2e30 332c 2d38 3430 2e39 3120 671.03,-840.91 \n+0001fb90: 3639 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796e acs_essentialdyn\n+0001fc80: 616d 6963 7320 2d2d 3e0a 3c67 2069 643d amics -->.<g id=\n+0001fc90: 2265 6467 6532 3135 2220 636c 6173 733d \"edge215\" class=\n+0001fca0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+0001fcb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001fcc0: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n+0001fcd0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001fce0: 6373 5f65 7373 656e 7469 616c 6479 6e61 cs_essentialdyna\n+0001fcf0: 6d69 6373 3c2f 7469 746c 653e 0a3c 7061 mics</title>.<pa\n+0001fd00: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n+0001fd10: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+0001fd20: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+0001fd30: 3d22 352c 3222 2064 3d22 4d31 3030 372e =\"5,2\" d=\"M1007.\n+0001fd40: 3532 2c2d 3230 342e 3733 4331 3031 322e 52,-204.73C1012.\n+0001fd50: 3539 2c2d 3139 362e 3536 2031 3032 302e 59,-196.56 1020.\n+0001fd60: 3733 2c2d 3138 352e 3635 2031 3032 382e 73,-185.65 1028.\n+0001fd70: 3637 2c2d 3137 362e 3235 222f 3e0a 3c70 67,-176.25\"/>.<p\n+0001fd80: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n+0001fd90: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n+0001fda0: 3832 6663 6322 2070 6f69 6e74 733d 2231 82fcc\" points=\"1\n+0001fdb0: 3033 312e 3533 2c2d 3137 382e 3239 2031 031.53,-178.29 1\n+0001fdc0: 3033 352e 3532 2c2d 3136 382e 3437 2031 035.52,-168.47 1\n+0001fdd0: 3032 362e 3238 2c2d 3137 332e 3637 2031 026.28,-173.67 1\n+0001fde0: 3033 312e 3533 2c2d 3137 382e 3239 222f 031.53,-178.29\"/\n+0001fdf0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+0001fe00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0001fe10: 646c 6962 2623 3435 3b26 6774 3b6d 6f64 dlib->mod\n+0001fe20: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001fe30: 696d 6420 2d2d 3e0a 3c67 2069 643d 2265 imd -->.<g id=\"e\n+0001fe40: 6467 6532 3139 2220 636c 6173 733d 2265 dge219\" class=\"e\n+0001fe50: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+0001fe60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001fe70: 6d64 6c69 6226 2334 353b 2667 743b 6d6f mdlib->mo\n+0001fe80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001fe90: 5f69 6d64 3c2f 7469 746c 653e 0a3c 7061 _imd</title>.<pa\n+0001fea0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n+0001feb0: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+0001fec0: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+0001fed0: 3d22 352c 3222 2064 3d22 4d31 3033 302e =\"5,2\" d=\"M1030.\n+0001fee0: 3834 2c2d 3231 342e 3131 4331 3133 312e 84,-214.11C1131.\n+0001fef0: 3733 2c2d 3230 332e 3920 3134 3832 2e38 73,-203.9 1482.8\n+0001ff00: 392c 2d31 3639 2e39 3620 3135 3937 2e33 9,-169.96 1597.3\n+0001ff10: 312c 2d31 3539 2e33 3722 2f3e 0a3c 706f 1,-159.37\"/>.<po\n+0001ff20: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon 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6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n+00020020: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00020030: 635f 6772 6f6d 6163 735f 6c69 7374 6564 c_gromacs_listed\n+00020040: 5f66 6f72 6365 733c 2f74 6974 6c65 3e0a _forces</title>.\n+00020050: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n+00020060: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+00020070: 6322 2073 7472 6f6b 652d 6461 7368 6172 c\" stroke-dashar\n+00020080: 7261 793d 2235 2c32 2220 643d 224d 3937 ray=\"5,2\" d=\"M97\n+00020090: 372e 3235 2c2d 3231 322e 3836 4339 3231 7.25,-212.86C921\n+000200a0: 2e37 362c 2d32 3033 2e32 3920 3739 322e .76,-203.29 792.\n+000200b0: 3637 2c2d 3137 392e 3537 2037 3231 2e39 67,-179.57 721.9\n+000200c0: 312c 2d31 3636 2e30 3422 2f3e 0a3c 706f 1,-166.04\"/>.<po\n+000200d0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n+000200e0: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n+000200f0: 3266 6363 2220 706f 696e 7473 3d22 3732 2fcc\" points=\"72\n+00020100: 322e 3338 2c2d 3136 322e 3537 2037 3131 2.38,-162.57 711\n+00020110: 2e39 2c2d 3136 342e 3132 2037 3231 2e30 .9,-164.12 721.0\n+00020120: 372c 2d31 3639 2e34 3420 3732 322e 3338 7,-169.44 722.38\n+00020130: 2c2d 3136 322e 3537 222f 3e0a 3c2f 673e ,-162.57\"/>.</g>\n+00020140: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00020150: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n+00020160: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00020170: 635f 6772 6f6d 6163 735f 6577 616c 6420 c_gromacs_ewald \n+00020180: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n+00020190: 3033 2220 636c 6173 733d 2265 6467 6522 03\" class=\"edge\"\n+000201a0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+000201b0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+000201c0: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n+000201d0: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n+000201e0: 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876.78,-\n+000203b0: 3832 352e 3622 2f3e 0a3c 2f67 3e0a 3c21 825.6\"/>.</g>.<!\n+000203c0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+000203d0: 6f6d 6163 735f 6d64 6c69 6226 2334 353b omacs_mdlib-\n+000203e0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000203f0: 726f 6d61 6373 5f63 6f6d 7061 7420 2d2d romacs_compat --\n+00020400: 3e0a 3c67 2069 643d 2265 6467 6532 3037 >.<g id=\"edge207\n+00020410: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+00020420: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00020430: 635f 6772 6f6d 6163 735f 6d64 6c69 6226 c_gromacs_mdlib&\n+00020440: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00020450: 7263 5f67 726f 6d61 6373 5f63 6f6d 7061 rc_gromacs_compa\n+00020460: 743c 2f74 6974 6c65 3e0a 3c70 6174 6820 t</title>.<path \n+00020470: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n+00020480: 6b65 3d22 2332 3832 6663 6322 2064 3d22 ke=\"#282fcc\" d=\"\n+00020490: 4d39 3833 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rc_gromacs_gpu_u\n+00020580: 7469 6c73 202d 2d3e 0a3c 6720 6964 3d22 tils -->.<g id=\"\n+00020590: 6564 6765 3230 3822 2063 6c61 7373 3d22 edge208\" class=\"\n+000205a0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+000205b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000205c0: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d _mdlib->m\n+000205d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000205e0: 735f 6770 755f 7574 696c 733c 2f74 6974 s_gpu_utils</tit\n+000205f0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00020600: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n+00020610: 6422 2064 3d22 4d39 3735 2e33 332c 2d32 d\" d=\"M975.33,-2\n+00020620: 3139 2e39 3443 3838 382e 3932 2c2d 3232 19.94C888.92,-22\n+00020630: 332e 3631 2036 3231 2e38 322c 2d32 3431 3.61 621.82,-241\n+00020640: 2e38 3620 3432 332e 3536 2c2d 3333 302e .86 423.56,-330.\n+00020650: 3335 2033 3735 2e36 322c 2d33 3531 2e37 35 375.62,-351.7\n+00020660: 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392c 2d34 332e 1.55 941.79,-43.\n+00020920: 3120 3934 312e 3531 2c2d 3533 2e36 3920 1 941.51,-53.69 \n+00020930: 3934 382e 3138 2c2d 3531 2e35 3522 2f3e 948.18,-51.55\"/>\n+00020940: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00020950: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00020960: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n+00020970: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+00020980: 6f6d 6465 6320 2d2d 3e0a 3c67 2069 643d omdec -->.<g id=\n+00020990: 2265 6467 6532 3130 2220 636c 6173 733d \"edge210\" class=\n+000209a0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+000209b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000209c0: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n+000209d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000209e0: 6373 5f64 6f6d 6465 633c 2f74 6974 6c65 cs_domdec</title\n+000209f0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path 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2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00020af0: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+00020b00: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564 ib -->.<g id=\"ed\n+00020b10: 6765 3230 3422 2063 6c61 7373 3d22 6564 ge204\" class=\"ed\n+00020b20: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00020b30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00020b40: 646c 6962 2623 3435 3b26 6774 3b6d 6f64 dlib->mod\n+00020b50: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00020b60: 676d 786c 6962 3c2f 7469 746c 653e 0a3c gmxlib</title>.<\n+00020b70: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00020b80: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00020b90: 2220 643d 224d 3939 322e 3332 2c2d 3233 \" d=\"M992.32,-23\n+00020ba0: 302e 3338 4339 3738 2e37 352c 2d32 3339 0.38C978.75,-239\n+00020bb0: 2e39 3520 3935 362e 3434 2c2d 3235 342e .95 956.44,-254.\n+00020bc0: 3137 2039 3337 2e35 362c 2d32 3637 2e34 17 937.56,-267.4\n+00020bd0: 3820 3932 312e 3533 2c2d 3237 382e 3738 8 921.53,-278.78\n+00020be0: 2039 3138 2e32 352c 2d32 3832 2e35 3820 918.25,-282.58 \n+00020bf0: 3930 322e 3536 2c2d 3239 342e 3335 2038 902.56,-294.35 8\n+00020c00: 3732 2e38 312c 2d33 3136 2e36 3620 3738 72.81,-316.66 78\n+00020c10: 342e 3338 2c2d 3336 302e 3036 2037 3637 4.38,-360.06 767\n+00020c20: 2e35 362c 2d33 3933 2e32 3220 3736 322e .56,-393.22 762.\n+00020c30: 3136 2c2d 3430 332e 3837 2037 3633 2e35 16,-403.87 763.5\n+00020c40: 372c 2d34 3038 2e38 3320 3736 372e 3536 7,-408.83 767.56\n+00020c50: 2c2d 3432 302e 3039 2037 3832 2e35 392c ,-420.09 782.59,\n+00020c60: 2d34 3632 2e34 3820 3938 372e 3432 2c2d -462.48 987.42,-\n+00020c70: 3730 362e 3337 2031 3032 322e 3536 2c2d 706.37 1022.56,-\n+00020c80: 3733 342e 3434 2031 3034 302e 3738 2c2d 734.44 1040.78,-\n+00020c90: 3734 3920 3130 3634 2e31 2c2d 3736 302e 749 1064.1,-760.\n+00020ca0: 3735 2031 3038 322e 3432 2c2d 3736 392e 75 1082.42,-769.\n+00020cb0: 3032 222f 3e0a 3c70 6f6c 7967 6f6e 2066 02\"/>.<polygon f\n+00020cc0: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+00020cd0: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n+00020ce0: 6f69 6e74 733d 2231 3038 312e 3139 2c2d oints=\"1081.19,-\n+00020cf0: 3737 322e 3331 2031 3039 312e 3735 2c2d 772.31 1091.75,-\n+00020d00: 3737 332e 3134 2031 3038 342e 3032 2c2d 773.14 1084.02,-\n+00020d10: 3736 352e 3920 3130 3831 2e31 392c 2d37 765.9 1081.19,-7\n+00020d20: 3732 2e33 3122 2f3e 0a3c 2f67 3e0a 3c21 72.31\"/>.</g>.<!\n+00020d30: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+00020d40: 6f6d 6163 735f 6d64 6c69 6226 2334 353b omacs_mdlib-\n+00020d50: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00020d60: 726f 6d61 6373 5f66 696c 6569 6f20 2d2d romacs_fileio --\n+00020d70: 3e0a 3c67 2069 643d 2265 6467 6532 3031 >.<g id=\"edge201\n+00020d80: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+00020d90: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00020da0: 635f 6772 6f6d 6163 735f 6d64 6c69 6226 c_gromacs_mdlib&\n+00020db0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00020dc0: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n+00020dd0: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o</title>.<path \n+00020de0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n+00020df0: 6b65 3d22 2362 6662 6662 6622 2064 3d22 ke=\"#bfbfbf\" d=\"\n+00020e00: 4d31 3033 312e 3735 2c2d 3232 302e 3036 M1031.75,-220.06\n+00020e10: 4331 3133 332e 3731 2c2d 3232 332e 3931 C1133.71,-223.91\n+00020e20: 2031 3438 322e 3934 2c2d 3233 382e 3936 1482.94,-238.96\n+00020e30: 2031 3539 302e 3536 2c2d 3236 372e 3438 1590.56,-267.48\n+00020e40: 2031 3635 342e 3534 2c2d 3238 342e 3434 1654.54,-284.44\n+00020e50: 2031 3637 312e 3934 2c2d 3239 312e 3534 1671.94,-291.54\n+00020e60: 2031 3732 352e 3536 2c2d 3333 302e 3335 1725.56,-330.35\n+00020e70: 2031 3831 302e 3536 2c2d 3339 312e 3837 1810.56,-391.87\n+00020e80: 2031 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4.66 1878.88,-63\n+00020f70: 342e 3438 222f 3e0a 3c2f 673e 0a3c 212d 4.48\"/>.</g>.<!-\n+00020f80: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00020f90: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n+00020fa0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00020fb0: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n+00020fc0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+00020fd0: 3230 3222 2063 6c61 7373 3d22 6564 6765 202\" class=\"edge\n+00020fe0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00020ff0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+00021000: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n+00021010: 655f 7372 635f 6772 6f6d 6163 735f 7472 e_src_gromacs_tr\n+00021020: 616a 6563 746f 7279 3c2f 7469 746c 653e ajectory</title>\n+00021030: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .<path fill=\"non\n+00021040: 6522 2073 7472 6f6b 653d 2223 6266 6266 e\" stroke=\"#bfbf\n+00021050: 6266 2220 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673e 8,-162.2\"/>.</g>\n+00021140: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00021150: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n+00021160: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00021170: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n+00021180: 7469 6c69 7479 202d 2d3e 0a3c 6720 6964 tility -->.<g id\n+00021190: 3d22 6564 6765 3231 3122 2063 6c61 7373 =\"edge211\" class\n+000211a0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+000211b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000211c0: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n+000211d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000211e0: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n+000211f0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n+00021200: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n+00021210: 653d 2223 3238 3266 6363 2220 7374 726f e=\"#282fcc\" stro\n+00021220: 6b65 2d64 6173 6861 7272 6179 3d22 352c ke-dasharray=\"5,\n+00021230: 3222 2064 3d22 4d31 3033 312e 3633 2c2d 2\" d=\"M1031.63,-\n+00021240: 3232 302e 3031 4331 3132 372e 3636 2c2d 220.01C1127.66,-\n+00021250: 3232 332e 3535 2031 3434 322e 3438 2c2d 223.55 1442.48,-\n+00021260: 3233 372e 3236 2031 3533 382e 3536 2c2d 237.26 1538.56,-\n+00021270: 3236 372e 3438 2031 3634 352e 3939 2c2d 267.48 1645.99,-\n+00021280: 3330 312e 3237 2031 3730 322e 3034 2c2d 301.27 1702.04,-\n+00021290: 3239 352e 3831 2031 3735 382e 3536 2c2d 295.81 1758.56,-\n+000212a0: 3339 332e 3232 2031 3737 392e 3037 2c2d 393.22 1779.07,-\n+000212b0: 3432 382e 3536 2031 3736 322e 3633 2c2d 428.56 1762.63,-\n+000212c0: 3434 392e 3934 2031 3733 382e 3536 2c2d 449.94 1738.56,-\n+000212d0: 3438 322e 3936 2031 3732 382e 3932 2c2d 482.96 1728.92,-\n+000212e0: 3439 362e 3139 2031 3731 342e 3535 2c2d 496.19 1714.55,-\n+000212f0: 3530 372e 3137 2031 3730 312e 352c 2d35 507.17 1701.5,-5\n+00021300: 3135 2e33 3222 2f3e 0a3c 706f 6c79 676f 15.32\"/>.<polygo\n+00021310: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n+00021320: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00021330: 2220 706f 696e 7473 3d22 3136 3939 2e35 \" points=\"1699.5\n+00021340: 372c 2d35 3132 2e33 3920 3136 3932 2e37 7,-512.39 1692.7\n+00021350: 352c 2d35 3230 2e34 3920 3137 3033 2e31 5,-520.49 1703.1\n+00021360: 342c 2d35 3138 2e34 3120 3136 3939 2e35 4,-518.41 1699.5\n+00021370: 372c 2d35 3132 2e33 3922 2f3e 0a3c 2f67 7,-512.39\"/>.</g\n+00021380: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00021390: 635f 6772 6f6d 6163 735f 6d64 6c69 6226 c_gromacs_mdlib&\n+000213a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000213b0: 7263 5f67 726f 6d61 6373 5f74 6162 6c65 rc_gromacs_table\n+000213c0: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n+000213d0: 6532 3134 2220 636c 6173 733d 2265 6467 e214\" class=\"edg\n+000213e0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+000213f0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00021400: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n+00021410: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00021420: 6162 6c65 733c 2f74 6974 6c65 3e0a 3c70 ables</title>.<p\n+00021430: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n+00021440: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n+00021450: 2073 7472 6f6b 652d 6461 7368 6172 7261 stroke-dasharra\n+00021460: 793d 2235 2c32 2220 643d 224d 3939 312e y=\"5,2\" d=\"M991.\n+00021470: 3431 2c2d 3230 352e 3738 4339 3831 2e36 41,-205.78C981.6\n+00021480: 332c 2d31 3936 2e33 3820 3936 372e 3837 3,-196.38 967.87\n+00021490: 2c2d 3138 322e 3333 2039 3537 2e35 362c ,-182.33 957.56,\n+000214a0: 2d31 3638 2e36 3120 3934 342e 3733 2c2d -168.61 944.73,-\n+000214b0: 3135 312e 3533 2039 3332 2e36 382c 2d31 151.53 932.68,-1\n+000214c0: 3330 2e34 2039 3234 2e34 342c 2d31 3134 30.4 924.44,-114\n+000214d0: 2e38 3822 2f3e 0a3c 706f 6c79 676f 6e20 .88\"/>.<polygon \n+000214e0: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+000214f0: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+00021500: 706f 696e 7473 3d22 3932 372e 3333 2c2d points=\"927.33,-\n+00021510: 3131 322e 3834 2039 3139 2e36 312c 2d31 112.84 919.61,-1\n+00021520: 3035 2e35 3820 3932 312e 3132 2c2d 3131 05.58 921.12,-11\n+00021530: 362e 3037 2039 3237 2e33 332c 2d31 3132 6.07 927.33,-112\n+00021540: 2e38 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d .84\"/>.</g>.<!--\n+00021550: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+00021560: 6163 735f 6d64 6c69 6226 2334 353b 2667 acs_mdlib-&g\n+00021570: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00021580: 6d61 6373 5f72 616e 646f 6d20 2d2d 3e0a macs_random -->.\n+00021590: 3c67 2069 643d 2265 6467 6532 3137 2220 <g id=\"edge217\" \n+000215a0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+000215b0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+000215c0: 6772 6f6d 6163 735f 6d64 6c69 6226 2334 gromacs_mdlib\n+000215d0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000215e0: 5f67 726f 6d61 6373 5f72 616e 646f 6d3c _gromacs_random<\n+000215f0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00021600: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00021610: 3d22 626c 6163 6b22 2073 7472 6f6b 652d =\"black\" stroke-\n+00021620: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00021630: 643d 224d 3130 3331 2e34 362c 2d32 3135 d=\"M1031.46,-215\n+00021640: 2e33 3143 3131 3638 2e31 2c2d 3230 362e .31C1168.1,-206.\n+00021650: 3738 2031 3736 372e 3032 2c2d 3136 392e 78 1767.02,-169.\n+00021660: 3433 2031 3933 352e 3339 2c2d 3135 382e 43 1935.39,-158.\n+00021670: 3933 222f 3e0a 3c70 6f6c 7967 6f6e 2066 93\"/>.<polygon f\n+00021680: 696c 6c3d 2262 6c61 636b 2220 7374 726f ill=\"black\" stro\n+00021690: 6b65 3d22 626c 6163 6b22 2070 6f69 6e74 ke=\"black\" point\n+000216a0: 733d 2231 3933 352e 3835 2c2d 3136 322e s=\"1935.85,-162.\n+000216b0: 3431 2031 3934 352e 3632 2c2d 3135 382e 41 1945.62,-158.\n+000216c0: 3239 2031 3933 352e 3432 2c2d 3135 352e 29 1935.42,-155.\n+000216d0: 3432 2031 3933 352e 3835 2c2d 3136 322e 42 1935.85,-162.\n+000216e0: 3431 222f 3e0a 3c2f 673e 0a3c 212d 2d20 41\"/>.</g>.<!-- \n+000216f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00021700: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n+00021710: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00021720: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+00021730: 6573 5f61 7768 202d 2d3e 0a3c 6720 6964 es_awh -->.<g id\n+00021740: 3d22 6564 6765 3231 3822 2063 6c61 7373 =\"edge218\" class\n+00021750: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+00021760: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00021770: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n+00021780: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00021790: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+000217a0: 6573 5f61 7768 3c2f 7469 746c 653e 0a3c es_awh</title>.<\n+000217b0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000217c0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+000217d0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+000217e0: 6179 3d22 352c 3222 2064 3d22 4d31 3033 ay=\"5,2\" d=\"M103\n+000217f0: 312e 3832 2c2d 3231 382e 3836 4331 3137 1.82,-218.86C117\n+00021800: 322e 3137 2c2d 3231 382e 3220 3137 3930 2.17,-218.2 1790\n+00021810: 2e32 352c 2d32 3138 2e31 3220 3138 3538 .25,-218.12 1858\n+00021820: 2e35 362c 2d32 3637 2e34 3820 3139 3130 .56,-267.48 1910\n+00021830: 2e38 392c 2d33 3035 2e32 3920 3139 3634 .89,-305.29 1964\n+00021840: 2e39 2c2d 3530 342e 3037 2031 3938 322e .9,-504.07 1982.\n+00021850: 3031 2c2d 3537 312e 3731 222f 3e0a 3c70 01,-571.71\"/>.<p\n+00021860: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n+00021870: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n+00021880: 3832 6663 6322 2070 6f69 6e74 733d 2231 82fcc\" points=\"1\n+00021890: 3937 382e 372c 2d35 3732 2e38 3820 3139 978.7,-572.88 19\n+000218a0: 3834 2e35 322c 2d35 3831 2e37 3320 3139 84.52,-581.73 19\n+000218b0: 3835 2e34 392c 2d35 3731 2e31 3820 3139 85.49,-571.18 19\n+000218c0: 3738 2e37 2c2d 3537 322e 3838 222f 3e0a 78.7,-572.88\"/>.\n+000218d0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+000218e0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+000218f0: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n+00021900: 655f 7372 635f 7465 7374 7574 696c 7320 e_src_testutils \n+00021910: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n+00021920: 3230 2220 636c 6173 733d 2265 6467 6522 20\" class=\"edge\"\n+00021930: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00021940: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+00021950: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n+00021960: 5f73 7263 5f74 6573 7475 7469 6c73 3c2f _src_testutils</\n+00021970: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00021980: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00021990: 2272 6564 2220 643d 224d 3130 3331 2e38 \"red\" d=\"M1031.8\n+000219a0: 312c 2d32 3139 2e38 4331 3234 302e 3633 1,-219.8C1240.63\n+000219b0: 2c2d 3232 352e 3532 2032 3533 362e 3536 ,-225.52 2536.56\n+000219c0: 2c2d 3236 342e 3233 2032 3533 362e 3536 ,-264.23 2536.56\n+000219d0: 2c2d 3334 322e 3739 2032 3533 362e 3536 ,-342.79 2536.56\n+000219e0: 2c2d 3738 342e 3838 2032 3533 362e 3536 ,-784.88 2536.56\n+000219f0: 2c2d 3738 342e 3838 2032 3533 362e 3536 ,-784.88 2536.56\n+00021a00: 2c2d 3738 342e 3838 2032 3533 362e 3536 ,-784.88 2536.56\n+00021a10: 2c2d 3832 342e 3320 3235 3132 2e33 392c ,-824.3 2512.39,\n+00021a20: 2d38 3634 2e38 3520 3234 3935 2e35 332c -864.85 2495.53,\n+00021a30: 2d38 3838 2e33 3422 2f3e 0a3c 706f 6c79 -888.34\"/>.<poly\n+00021a40: 676f 6e20 6669 6c6c 3d22 7265 6422 2073 gon fill=\"red\" s\n+00021a50: 7472 6f6b 653d 2272 6564 2220 706f 696e troke=\"red\" poin\n+00021a60: 7473 3d22 3234 3932 2e36 342c 2d38 3836 ts=\"2492.64,-886\n+00021a70: 2e33 3620 3234 3839 2e34 392c 2d38 3936 .36 2489.49,-896\n+00021a80: 2e34 3720 3234 3938 2e32 362c 2d38 3930 .47 2498.26,-890\n+00021a90: 2e35 3320 3234 3932 2e36 342c 2d38 3836 .53 2492.64,-886\n+00021aa0: 2e33 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d .36\"/>.</g>.<!--\n+00021ab0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+00021ac0: 6163 735f 676d 786c 6962 2623 3435 3b26 acs_gmxlib-&\n+00021ad0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00021ae0: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n+00021af0: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467 e -->.<g id=\"edg\n+00021b00: 6532 3231 2220 636c 6173 733d 2265 6467 e221\" class=\"edg\n+00021b10: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00021b20: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00021b30: 786c 6962 2623 3435 3b26 6774 3b6d 6f64 xlib->mod\n+00021b40: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00021b50: 636f 6d6d 616e 646c 696e 653c 2f74 6974 commandline</tit\n+00021b60: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00021b70: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c none\" stroke=\"bl\n+00021b80: 6163 6b22 2073 7472 6f6b 652d 6461 7368 ack\" stroke-dash\n+00021b90: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+00021ba0: 3131 3431 2e37 312c 2d37 3739 2e33 3443 1141.71,-779.34C\n+00021bb0: 3132 3235 2e38 352c 2d37 3639 2e34 3720 1225.85,-769.47 \n+00021bc0: 3134 3634 2e32 372c 2d37 3431 2e35 3120 1464.27,-741.51 \n+00021bd0: 3135 3734 2e30 312c 2d37 3238 2e36 3422 1574.01,-728.64\"\n+00021be0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+00021bf0: 3d22 626c 6163 6b22 2073 7472 6f6b 653d =\"black\" stroke=\n+00021c00: 2262 6c61 636b 2220 706f 696e 7473 3d22 \"black\" points=\"\n+00021c10: 3135 3734 2e36 392c 2d37 3332 2e30 3820 1574.69,-732.08 \n+00021c20: 3135 3834 2e32 322c 2d37 3237 2e34 3420 1584.22,-727.44 \n+00021c30: 3135 3733 2e38 382c 2d37 3235 2e31 3320 1573.88,-725.13 \n+00021c40: 3135 3734 2e36 392c 2d37 3332 2e30 3822 1574.69,-732.08\"\n+00021c50: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00021c60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00021c70: 676d 786c 6962 2623 3435 3b26 6774 3b6d gmxlib->m\n+00021c80: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00021c90: 735f 6d64 7479 7065 7320 2d2d 3e0a 3c67 s_mdtypes -->.<g\n+00021ca0: 2069 643d 2265 6467 6532 3232 2220 636c id=\"edge222\" cl\n+00021cb0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00021cc0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00021cd0: 6f6d 6163 735f 676d 786c 6962 2623 3435 omacs_gmxlib-\n+00021ce0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00021cf0: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n+00021d00: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00021d10: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00021d20: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n+00021d30: 3130 342e 3133 2c2d 3739 372e 3243 3130 104.13,-797.2C10\n+00021d40: 3933 2e34 342c 2d38 3133 2e38 3920 3130 93.44,-813.89 10\n+00021d50: 3732 2e31 382c 2d38 3433 2e35 2031 3034 72.18,-843.5 104\n+00021d60: 362e 3536 2c2d 3836 302e 3138 2031 3031 6.56,-860.18 101\n+00021d70: 312e 3732 2c2d 3838 322e 3837 2039 3635 1.72,-882.87 965\n+00021d80: 2e37 322c 2d38 3935 2e33 3620 3933 322e .72,-895.36 932.\n+00021d90: 3137 2c2d 3930 312e 3935 222f 3e0a 3c70 17,-901.95\"/>.<p\n+00021da0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+00021db0: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+00021dc0: 6662 6662 6622 2070 6f69 6e74 733d 2239 fbfbf\" points=\"9\n+00021dd0: 3331 2e33 372c 2d38 3938 2e35 3420 3932 31.37,-898.54 92\n+00021de0: 322e 3138 2c2d 3930 332e 3831 2039 3332 2.18,-903.81 932\n+00021df0: 2e36 362c 2d39 3035 2e34 3220 3933 312e .66,-905.42 931.\n+00021e00: 3337 2c2d 3839 382e 3534 222f 3e0a 3c2f 37,-898.54\"/>.</\n+00021e10: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00021e20: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n+00021e30: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n+00021e40: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n+00021e50: 6c64 202d 2d3e 0a3c 6720 6964 3d22 6564 ld -->.<g id=\"ed\n+00021e60: 6765 3232 3322 2063 6c61 7373 3d22 6564 ge223\" class=\"ed\n+00021e70: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00021e80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00021e90: 6d78 6c69 6226 2334 353b 2667 743b 6d6f mxlib->mo\n+00021ea0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00021eb0: 5f65 7761 6c64 3c2f 7469 746c 653e 0a3c _ewald</title>.<\n+00021ec0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00021ed0: 2073 7472 6f6b 653d 2223 3263 6363 3238 stroke=\"#2ccc28\n+00021ee0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00021ef0: 6179 3d22 352c 3222 2064 3d22 4d31 3038 ay=\"5,2\" d=\"M108\n+00021f00: 372e 3339 2c2d 3739 322e 3732 4331 3034 7.39,-792.72C104\n+00021f10: 372e 3538 2c2d 3830 342e 3237 2039 3638 7.58,-804.27 968\n+00021f20: 2e35 332c 2d38 3235 2e37 3620 3932 322e .53,-825.76 922.\n+00021f30: 362c 2d38 3337 2e35 3322 2f3e 0a3c 706f 6,-837.53\"/>.<po\n+00021f40: 6c79 676f 6e20 6669 6c6c 3d22 2332 6363 lygon fill=\"#2cc\n+00021f50: 6332 3822 2073 7472 6f6b 653d 2223 3263 c28\" stroke=\"#2c\n+00021f60: 6363 3238 2220 706f 696e 7473 3d22 3932 cc28\" points=\"92\n+00021f70: 312e 3631 2c2d 3833 342e 3137 2039 3132 1.61,-834.17 912\n+00021f80: 2e37 382c 2d38 3430 2e30 3220 3932 332e .78,-840.02 923.\n+00021f90: 3333 2c2d 3834 302e 3935 2039 3231 2e36 33,-840.95 921.6\n+00021fa0: 312c 2d38 3334 2e31 3722 2f3e 0a3c 2f67 1,-834.17\"/>.</g\n+00021fb0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00021fc0: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n+00021fd0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00021fe0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+00021ff0: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467 b -->.<g id=\"edg\n+00022000: 6532 3234 2220 636c 6173 733d 2265 6467 e224\" class=\"edg\n+00022010: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00022020: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00022030: 786c 6962 2623 3435 3b26 6774 3b6d 6f64 xlib->mod\n+00022040: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00022050: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70 mdlib</title>.<p\n+00022060: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n+00022070: 7374 726f 6b65 3d22 2332 6363 6332 3822 stroke=\"#2ccc28\"\n+00022080: 2073 7472 6f6b 652d 6461 7368 6172 7261 stroke-dasharra\n+00022090: 793d 2235 2c32 2220 643d 224d 3130 3835 y=\"5,2\" d=\"M1085\n+000220a0: 2e34 372c 2d37 3736 2e31 3343 3130 3632 .47,-776.13C1062\n+000220b0: 2e32 362c 2d37 3638 2e32 3820 3130 3238 .26,-768.28 1028\n+000220c0: 2e38 382c 2d37 3533 2e38 3720 3130 3034 .88,-753.87 1004\n+000220d0: 2e35 362c 2d37 3334 2e34 3420 3936 392e .56,-734.44 969.\n+000220e0: 3432 2c2d 3730 362e 3337 2037 3634 2e35 42,-706.37 764.5\n+000220f0: 392c 2d34 3632 2e34 3820 3734 392e 3536 9,-462.48 749.56\n+00022100: 2c2d 3432 302e 3039 2037 3435 2e35 372c ,-420.09 745.57,\n+00022110: 2d34 3038 2e38 3320 3734 342e 3136 2c2d -408.83 744.16,-\n+00022120: 3430 332e 3837 2037 3439 2e35 362c 2d33 403.87 749.56,-3\n+00022130: 3933 2e32 3220 3736 362e 3338 2c2d 3336 93.22 766.38,-36\n+00022140: 302e 3036 2038 3534 2e38 312c 2d33 3136 0.06 854.81,-316\n+00022150: 2e36 3620 3838 342e 3536 2c2d 3239 342e .66 884.56,-294.\n+00022160: 3335 2039 3030 2e32 352c 2d32 3832 2e35 35 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6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n+00022260: 5f73 7263 5f67 726f 6d61 6373 5f74 6162 _src_gromacs_tab\n+00022270: 6c65 7320 2d2d 3e0a 3c67 2069 643d 2265 les -->.<g id=\"e\n+00022280: 6467 6532 3235 2220 636c 6173 733d 2265 dge225\" class=\"e\n+00022290: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+000222a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000222b0: 676d 786c 6962 2623 3435 3b26 6774 3b6d gmxlib->m\n+000222c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000222d0: 735f 7461 626c 6573 3c2f 7469 746c 653e s_tables</title>\n+000222e0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .<path fill=\"non\n+000222f0: 6522 2073 7472 6f6b 653d 2223 3263 6363 e\" stroke=\"#2ccc\n+00022300: 3238 2220 7374 726f 6b65 2d64 6173 6861 28\" stroke-dasha\n+00022310: 7272 6179 3d22 352c 3222 2064 3d22 4d31 rray=\"5,2\" d=\"M1\n+00022320: 3039 342e 3438 2c2d 3737 322e 3332 4331 094.48,-772.32C1\n+00022330: 3037 332e 3737 2c2d 3735 382e 3132 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954.13,-\n+00022420: 3930 2e30 3222 2f3e 0a3c 2f67 3e0a 3c21 90.02\"/>.</g>.<!\n+00022430: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+00022440: 6f6d 6163 735f 6669 6c65 696f 2623 3435 omacs_fileio-\n+00022450: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00022460: 6772 6f6d 6163 735f 6d64 7479 7065 7320 gromacs_mdtypes \n+00022470: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n+00022480: 3238 2220 636c 6173 733d 2265 6467 6522 28\" class=\"edge\"\n+00022490: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+000224a0: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n+000224b0: 696f 2623 3435 3b26 6774 3b6d 6f64 756c io->modul\n+000224c0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+000224d0: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types</title>.<p\n+000224e0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n+000224f0: 7374 726f 6b65 3d22 7265 6422 2064 3d22 stroke=\"red\" d=\"\n+00022500: 4d31 3836 342e 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743c 2f74 romacs_compat</t\n+000226e0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+000226f0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00022700: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00022710: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00022720: 643d 224d 3138 3631 2e30 362c 2d36 3439 d=\"M1861.06,-649\n+00022730: 2e30 3743 3138 3331 2e39 322c 2d36 3337 .07C1831.92,-637\n+00022740: 2e34 2031 3738 312e 3436 2c2d 3631 362e .4 1781.46,-616.\n+00022750: 3335 2031 3737 362e 3536 2c2d 3630 382e 35 1776.56,-608.\n+00022760: 3720 3137 3730 2e31 322c 2d35 3938 2e36 7 1770.12,-598.6\n+00022770: 3420 3137 3733 2e33 342c 2d35 3933 2e33 4 1773.34,-593.3\n+00022780: 3320 3137 3736 2e35 362c 2d35 3831 2e38 3 1776.56,-581.8\n+00022790: 3320 3138 3039 2e33 342c 2d34 3634 2e36 3 1809.34,-464.6\n+000227a0: 3420 3139 3133 2e35 362c 2d34 3636 2e34 4 1913.56,-466.4\n+000227b0: 3720 3139 3133 2e35 362c 2d33 3434 2e37 7 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2e33 312c 2d31 3635 2e32 3420 3931 312e .31,-165.24 911.\n+000228b0: 322c 2d31 3538 2e33 222f 3e0a 3c2f 673e 2,-158.3\"/>.</g>\n+000228c0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+000228d0: 5f67 726f 6d61 6373 5f66 696c 6569 6f26 _gromacs_fileio&\n+000228e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000228f0: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c rc_gromacs_modul\n+00022900: 6172 7369 6d75 6c61 746f 7220 2d2d 3e0a arsimulator -->.\n+00022910: 3c67 2069 643d 2265 6467 6532 3331 2220 <g id=\"edge231\" \n+00022920: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00022930: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00022940: 6772 6f6d 6163 735f 6669 6c65 696f 2623 gromacs_fileio&#\n+00022950: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00022960: 635f 6772 6f6d 6163 735f 6d6f 6475 6c61 c_gromacs_modula\n+00022970: 7273 696d 756c 6174 6f72 3c2f 7469 746c rsimulator</titl\n+00022980: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00022990: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n+000229a0: 2220 643d 224d 3138 3539 2e39 342c 2d36 \" d=\"M1859.94,-6\n+000229b0: 3439 2e39 3443 3137 3936 2e35 332c 2d36 49.94C1796.53,-6\n+000229c0: 3236 2e35 3520 3136 3136 2e34 332c 2d35 26.55 1616.43,-5\n+000229d0: 3533 2e37 3820 3136 3035 2e35 362c 2d35 53.78 1605.56,-5\n+000229e0: 3435 2e38 3320 3135 3633 2e33 382c 2d35 45.83 1563.38,-5\n+000229f0: 3134 2e39 3720 3135 3734 2e35 392c 2d34 14.97 1574.59,-4\n+00022a00: 3832 2e36 3220 3135 3239 2e35 362c 2d34 82.62 1529.56,-4\n+00022a10: 3536 2e30 3920 3135 3134 2e31 322c 2d34 56.09 1514.12,-4\n+00022a20: 3437 2031 3431 352e 3838 2c2d 3432 392e 47 1415.88,-429.\n+00022a30: 3233 2031 3335 312e 3631 2c2d 3431 372e 23 1351.61,-417.\n+00022a40: 3933 222f 3e0a 3c70 6f6c 7967 6f6e 2066 93\"/>.<polygon f\n+00022a50: 696c 6c3d 2272 6564 2220 7374 726f 6b65 ill=\"red\" stroke\n+00022a60: 3d22 7265 6422 2070 6f69 6e74 733d 2231 =\"red\" 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6d64 7370 616e 3c2f 7469 omacs_mdspan</ti\n+00022b60: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00022b70: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n+00022b80: 6564 2220 643d 224d 3139 3038 2e36 392c ed\" d=\"M1908.69,\n+00022b90: 2d36 3537 2e36 3843 3139 3530 2e38 362c -657.68C1950.86,\n+00022ba0: 2d36 3537 2e31 3220 3230 3332 2e36 362c -657.12 2032.66,\n+00022bb0: 2d36 3530 2e32 3620 3230 3834 2e35 362c -650.26 2084.56,\n+00022bc0: 2d36 3038 2e37 2032 3133 352e 3532 2c2d -608.7 2135.52,-\n+00022bd0: 3536 372e 3920 3232 3133 2e35 362c 2d34 567.9 2213.56,-4\n+00022be0: 3130 2e30 3620 3232 3133 2e35 362c 2d33 10.06 2213.56,-3\n+00022bf0: 3434 2e37 3920 3232 3133 2e35 362c 2d33 44.79 2213.56,-3\n+00022c00: 3434 2e37 3920 3232 3133 2e35 362c 2d33 44.79 2213.56,-3\n+00022c10: 3434 2e37 3920 3232 3133 2e35 362c 2d31 44.79 2213.56,-1\n+00022c20: 3534 2e31 3820 3232 3133 2e35 362c 2d32 54.18 2213.56,-2\n+00022c30: 382e 3036 2031 3231 332e 3335 2c2d 3238 8.06 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353b macs_fileio-\n+00023460: 2667 743b 6d6f 6475 6c65 5f73 7263 5f74 >module_src_t\n+00023470: 6573 7475 7469 6c73 202d 2d3e 0a3c 6720 estutils -->.<g \n+00023480: 6964 3d22 6564 6765 3233 3422 2063 6c61 id=\"edge234\" cla\n+00023490: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+000234a0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+000234b0: 6d61 6373 5f66 696c 6569 6f26 2334 353b macs_fileio-\n+000234c0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f74 >module_src_t\n+000234d0: 6573 7475 7469 6c73 3c2f 7469 746c 653e estutils</title>\n+000234e0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .<path fill=\"non\n+000234f0: 6522 2073 7472 6f6b 653d 2223 3263 6363 e\" stroke=\"#2ccc\n+00023500: 3238 2220 7374 726f 6b65 2d64 6173 6861 28\" stroke-dasha\n+00023510: 7272 6179 3d22 352c 3222 2064 3d22 4d31 rray=\"5,2\" d=\"M1\n+00023520: 3930 382e 3431 2c2d 3636 302e 3543 3139 908.41,-660.5C19\n+00023530: 3833 2e37 382c 2d36 3634 2e36 3620 3231 83.78,-664.66 21\n+00023540: 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7469 746c ss=\"edge\">.<titl\n-00023c80: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00023c90: 6d61 6373 5f69 6d64 2623 3435 3b26 6774 macs_imd->\n-00023ca0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00023cb0: 6163 735f 6669 6c65 696f 3c2f 7469 746c acs_fileio</titl\n-00023cc0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00023cd0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-00023ce0: 6266 6266 2220 643d 224d 3831 372e 3439 bfbf\" d=\"M817.49\n-00023cf0: 2c2d 3534 332e 3037 4338 3330 2e33 332c ,-543.07C830.33,\n-00023d00: 2d35 3531 2e34 3620 3834 372e 3031 2c2d -551.46 847.01,-\n-00023d10: 3536 342e 3933 2038 3534 2e35 362c 2d35 564.93 854.56,-5\n-00023d20: 3831 2e38 3320 3835 392e 3433 2c2d 3539 81.83 859.43,-59\n-00023d30: 322e 3734 2038 3538 2e35 342c 2d35 3937 2.74 858.54,-597\n-00023d40: 2e34 3420 3835 342e 3536 2c2d 3630 382e .44 854.56,-608.\n-00023d50: 3720 3833 352e 372c 2d36 3631 2e39 3920 7 835.7,-661.99 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utility</title>.\n-00024490: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n-000244a0: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n-000244b0: 6322 2073 7472 6f6b 652d 6461 7368 6172 c\" stroke-dashar\n-000244c0: 7261 793d 2235 2c32 2220 643d 224d 3832 ray=\"5,2\" d=\"M82\n-000244d0: 312e 3738 2c2d 3534 302e 3732 4338 3339 1.78,-540.72C839\n-000244e0: 2e34 352c 2d35 3438 2e30 3720 3836 332e .45,-548.07 863.\n-000244f0: 3436 2c2d 3536 312e 3320 3837 342e 3536 46,-561.3 874.56\n-00024500: 2c2d 3538 312e 3833 2038 3838 2e30 352c ,-581.83 888.05,\n-00024510: 2d36 3036 2e37 3820 3836 372e 3735 2c2d -606.78 867.75,-\n-00024520: 3631 362e 3635 2038 3633 2e35 362c 2d36 616.65 863.56,-6\n-00024530: 3434 2e37 2038 3537 2e35 332c 2d36 3835 44.7 857.53,-685\n-00024540: 2e30 3720 3836 342e 3332 2c2d 3733 322e .07 864.32,-732.\n-00024550: 3631 2038 3639 2e35 392c 2d37 3630 2e30 61 869.59,-760.0\n-00024560: 3922 2f3e 0a3c 706f 6c79 676f 6e20 6669 9\"/>.<polygon 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2623 3435 3b26 6774 3b6d cs_imd->m\n-00024660: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00024670: 735f 6d64 6c69 623c 2f74 6974 6c65 3e0a s_mdlib</title>.\n-00024680: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n-00024690: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n-000246a0: 6622 2064 3d22 4d38 3234 2e31 312c 2d35 f\" d=\"M824.11,-5\n-000246b0: 3339 2e30 3343 3834 352e 3134 2c2d 3534 39.03C845.14,-54\n-000246c0: 362e 3038 2038 3734 2e34 2c2d 3535 392e 6.08 874.4,-559.\n-000246d0: 3935 2038 3930 2e35 362c 2d35 3831 2e38 95 890.56,-581.8\n-000246e0: 3320 3931 342e 3936 2c2d 3631 342e 3836 3 914.96,-614.86\n-000246f0: 2038 3937 2e33 322c 2d36 3333 2e34 3420 897.32,-633.44 \n-00024700: 3931 322e 3536 2c2d 3637 312e 3537 2039 912.56,-671.57 9\n-00024710: 3336 2e34 362c 2d37 3331 2e33 3720 3933 36.46,-731.37 93\n-00024720: 312e 3736 2c2d 3736 302e 3435 2039 3834 1.76,-760.45 984\n-00024730: 2e35 362c 2d37 3937 2e33 3120 3130 3632 .56,-797.31 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7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00024830: 6d64 6c69 6226 2334 353b 2667 743b 6d6f mdlib->mo\n-00024840: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00024850: 5f63 6f6d 6d61 6e64 6c69 6e65 202d 2d3e _commandline -->\n-00024860: 0a3c 6720 6964 3d22 6564 6765 3235 3222 .<g id=\"edge252\"\n-00024870: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-00024880: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00024890: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n-000248a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000248b0: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n-000248c0: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70 dline</title>.<p\n-000248d0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n-000248e0: 7374 726f 6b65 3d22 626c 6163 6b22 2073 stroke=\"black\" s\n-000248f0: 7472 6f6b 652d 6461 7368 6172 7261 793d troke-dasharray=\n-00024900: 2235 2c32 2220 643d 224d 3134 3834 2e37 \"5,2\" 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312c 2d35 332e 3432 2032 3337 372e 3437 1,-53.42 2377.47\n-00025050: 2c2d 3531 2e36 3222 2f3e 0a3c 2f67 3e0a ,-51.62\"/>.</g>.\n-00025060: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-00025070: 6772 6f6d 6163 735f 6d64 6c69 6226 2334 gromacs_mdlib\n-00025080: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00025090: 5f67 726f 6d61 6373 5f65 7373 656e 7469 _gromacs_essenti\n-000250a0: 616c 6479 6e61 6d69 6373 202d 2d3e 0a3c aldynamics -->.<\n-000250b0: 6720 6964 3d22 6564 6765 3235 3622 2063 g id=\"edge256\" c\n-000250c0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-000250d0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-000250e0: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n-000250f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00025100: 6772 6f6d 6163 735f 6573 7365 6e74 6961 gromacs_essentia\n-00025110: 6c64 796e 616d 6963 733c 2f74 6974 6c65 ldynamics</title\n-00025120: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f 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7263 5f67 726f 6d61 6373 5f72 le_src_gromacs_r\n-00025300: 616e 646f 6d20 2d2d 3e0a 3c67 2069 643d andom -->.<g id=\n-00025310: 2265 6467 6532 3439 2220 636c 6173 733d \"edge249\" class=\n-00025320: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-00025330: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00025340: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n-00025350: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00025360: 6373 5f72 616e 646f 6d3c 2f74 6974 6c65 cs_random</title\n-00025370: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00025380: 6e65 2220 7374 726f 6b65 3d22 626c 6163 ne\" stroke=\"blac\n-00025390: 6b22 2073 7472 6f6b 652d 6461 7368 6172 k\" stroke-dashar\n-000253a0: 7261 793d 2235 2c32 2220 643d 224d 3135 ray=\"5,2\" d=\"M15\n-000253b0: 3235 2e35 2c2d 3930 372e 3033 4331 3630 25.5,-907.03C160\n-000253c0: 312e 3831 2c2d 3930 322e 3338 2031 3831 1.81,-902.38 181\n-000253d0: 322e 3237 2c2d 3838 372e 3338 2031 3837 2.27,-887.38 187\n-000253e0: 352e 3536 2c2d 3836 302e 3138 2031 3933 5.56,-860.18 193\n-000253f0: 332e 3533 2c2d 3833 352e 3237 2031 3933 3.53,-835.27 193\n-00025400: 352e 3134 2c2d 3830 382e 3337 2031 3938 5.14,-808.37 198\n-00025410: 352e 3536 2c2d 3737 302e 3434 2032 3030 5.56,-770.44 200\n-00025420: 382e 3032 2c2d 3735 332e 3534 2032 3031 8.02,-753.54 201\n-00025430: 352e 3237 2c2d 3735 312e 3536 2032 3033 5.27,-751.56 203\n-00025440: 372e 3536 2c2d 3733 342e 3434 2032 3037 7.56,-734.44 207\n-00025450: 312e 3739 2c2d 3730 382e 3136 2032 3038 1.79,-708.16 208\n-00025460: 352e 3435 2c2d 3730 352e 3933 2032 3131 5.45,-705.93 211\n-00025470: 312e 3536 2c2d 3637 312e 3537 2032 3133 1.56,-671.57 213\n-00025480: 342e 3535 2c2d 3634 312e 3332 2032 3137 4.55,-641.32 217\n-00025490: 372e 3436 2c2d 3533 372e 3938 2032 3139 7.46,-537.98 219\n-000254a0: 352e 3834 2c2d 3439 322e 3431 222f 3e0a 5.84,-492.41\"/>.\n-000254b0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 <polygon fill=\"b\n-000254c0: 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6774 3b6d _mdlib->m\n-000255b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000255c0: 735f 646f 6d64 6563 3c2f 7469 746c 653e s_domdec</title>\n-000255d0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .<path fill=\"non\n-000255e0: 6522 2073 7472 6f6b 653d 2272 6564 2220 e\" stroke=\"red\" \n-000255f0: 643d 224d 3134 3739 2c2d 3839 392e 3243 d=\"M1479,-899.2C\n-00025600: 3134 3634 2e39 342c 2d38 3839 2e36 2031 1464.94,-889.6 1\n-00025610: 3434 362e 322c 2d38 3734 2e31 3820 3134 446.2,-874.18 14\n-00025620: 3330 2e35 362c 2d38 3630 2e31 3820 3134 30.56,-860.18 14\n-00025630: 3137 2e37 312c 2d38 3438 2e36 3820 3134 17.71,-848.68 14\n-00025640: 3136 2e35 392c 2d38 3433 2e33 3520 3134 16.59,-843.35 14\n-00025650: 3032 2e35 362c 2d38 3333 2e33 3120 3133 02.56,-833.31 13\n-00025660: 3033 2e36 372c 2d37 3632 2e35 3420 3132 03.67,-762.54 12\n-00025670: 3732 2e34 322c 2d37 3532 2e38 3520 3131 72.42,-752.85 11\n-00025680: 3539 2e35 362c 2d37 3037 2e35 3720 3131 59.56,-707.57 11\n-00025690: 3139 2e38 312c 2d36 3931 2e36 3220 3130 19.81,-691.62 10\n-000256a0: 3732 2e37 392c 2d36 3738 2e33 3420 3130 72.79,-678.34 10\n-000256b0: 3430 2e37 322c 2d36 3639 2e37 3422 2f3e 40.72,-669.74\"/>\n-000256c0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-000256d0: 7265 6422 2073 7472 6f6b 653d 2272 6564 red\" stroke=\"red\n-000256e0: 2220 706f 696e 7473 3d22 3130 3431 2e34 \" points=\"1041.4\n-000256f0: 322c 2d36 3636 2e33 3120 3130 3330 2e38 2,-666.31 1030.8\n-00025700: 362c 2d36 3637 2e31 3220 3130 3339 2e36 6,-667.12 1039.6\n-00025710: 322c 2d36 3733 2e30 3720 3130 3431 2e34 2,-673.07 1041.4\n-00025720: 322c 2d36 3636 2e33 3122 2f3e 0a3c 2f67 2,-666.31\"/>.</g\n-00025730: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00025740: 635f 6772 6f6d 6163 735f 6d64 6c69 6226 c_gromacs_mdlib&\n-00025750: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00025760: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n-00025770: 7469 6c73 202d 2d3e 0a3c 6720 6964 3d22 tils -->.<g id=\"\n-00025780: 6564 6765 3234 3222 2063 6c61 7373 3d22 edge242\" class=\"\n-00025790: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-000257a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000257b0: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d _mdlib->m\n-000257c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000257d0: 735f 6770 755f 7574 696c 733c 2f74 6974 s_gpu_utils</tit\n-000257e0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-000257f0: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n-00025800: 6422 2064 3d22 4d31 3532 342e 3431 2c2d d\" d=\"M1524.41,-\n-00025810: 3930 352e 3339 4331 3630 312e 3831 2c2d 905.39C1601.81,-\n-00025820: 3839 3620 3138 3230 2e36 382c 2d38 3638 896 1820.68,-868\n-00025830: 2e38 3220 3138 3333 2e35 362c 2d38 3630 .82 1833.56,-860\n-00025840: 2e31 3820 3139 3234 2e32 332c 2d37 3939 .18 1924.23,-799\n-00025850: 2e33 3420 3230 3533 2e30 352c 2d34 3739 .34 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7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00025950: 676d 786c 6962 202d 2d3e 0a3c 6720 6964 gmxlib -->.<g id\n-00025960: 3d22 6564 6765 3234 3322 2063 6c61 7373 =\"edge243\" class\n-00025970: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+000238a0: 6373 5f6d 6472 756e 7574 696c 6974 7926 cs_mdrunutility&\n+000238b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000238c0: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61 rc_gromacs_comma\n+000238d0: 6e64 6c69 6e65 202d 2d3e 0a3c 6720 6964 ndline -->.<g id\n+000238e0: 3d22 6564 6765 3233 3922 2063 6c61 7373 =\"edge239\" class\n+000238f0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+00023900: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00023910: 6373 5f6d 6472 756e 7574 696c 6974 7926 cs_mdrunutility&\n+00023920: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00023930: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61 rc_gromacs_comma\n+00023940: 6e64 6c69 6e65 3c2f 7469 746c 653e 0a3c 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5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n+00023cf0: 7926 2334 353b 2667 743b 6d6f 6475 6c65 y->module\n+00023d00: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+00023d10: 756e 3c2f 7469 746c 653e 0a3c 7061 7468 un</title>.<path\n+00023d20: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n+00023d30: 6f6b 653d 2272 6564 2220 643d 224d 3136 oke=\"red\" d=\"M16\n+00023d40: 3235 2e37 352c 2d35 3237 2e38 3643 3135 25.75,-527.86C15\n+00023d50: 3937 2e38 362c 2d35 3235 2e33 3520 3135 97.86,-525.35 15\n+00023d60: 3631 2e35 332c 2d35 3231 2e39 3320 3135 61.53,-521.93 15\n+00023d70: 3239 2e35 362c 2d35 3138 2e39 3620 3133 29.56,-518.96 13\n+00023d80: 3439 2e38 372c 2d35 3032 2e32 3920 3131 49.87,-502.29 11\n+00023d90: 3335 2e38 372c 2d34 3832 2e38 3620 3130 35.87,-482.86 10\n+00023da0: 3438 2e35 2c2d 3437 342e 3539 222f 3e0a 48.5,-474.59\"/>.\n+00023db0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 <polygon fill=\"r\n+00023dc0: 6564 2220 7374 726f 6b65 3d22 7265 6422 ed\" 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743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00023ec0: 5f67 726f 6d61 6373 5f67 6d78 6c69 623c _gromacs_gmxlib<\n+00023ed0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00023ee0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00023ef0: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n+00023f00: 3633 352e 3834 2c2d 3534 312e 3638 4331 635.84,-541.68C1\n+00023f10: 3536 312e 3435 2c2d 3536 302e 3735 2031 561.45,-560.75 1\n+00023f20: 3338 332e 3737 2c2d 3631 332e 3439 2031 383.77,-613.49 1\n+00023f30: 3236 342e 3536 2c2d 3730 372e 3537 2031 264.56,-707.57 1\n+00023f40: 3235 322e 3837 2c2d 3731 362e 3739 2031 252.87,-716.79 1\n+00023f50: 3235 362e 352c 2d37 3235 2e35 3520 3132 256.5,-725.55 12\n+00023f60: 3434 2e35 362c 2d37 3334 2e34 3420 3132 44.56,-734.44 12\n+00023f70: 3136 2e33 2c2d 3735 352e 3439 2031 3137 16.3,-755.49 117\n+00023f80: 372e 3937 2c2d 3736 382e 3135 2031 3134 7.97,-768.15 114\n+00023f90: 392e 3732 2c2d 3737 352e 3232 222f 3e0a 9.72,-775.22\"/>.\n+00023fa0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+00023fb0: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n+00023fc0: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n+00023fd0: 2231 3134 382e 3732 2c2d 3737 312e 3836 \"1148.72,-771.86\n+00023fe0: 2031 3133 392e 382c 2d37 3737 2e35 3820 1139.8,-777.58 \n+00023ff0: 3131 3530 2e33 342c 2d37 3738 2e36 3720 1150.34,-778.67 \n+00024000: 3131 3438 2e37 322c 2d37 3731 2e38 3622 1148.72,-771.86\"\n+00024010: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00024020: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00024030: 6d64 7275 6e75 7469 6c69 7479 2623 3435 mdrunutility-\n+00024040: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00024050: 6772 6f6d 6163 735f 6669 6c65 696f 202d gromacs_fileio -\n+00024060: 2d3e 0a3c 6720 6964 3d22 6564 6765 3233 ->.<g id=\"edge23\n+00024070: 3522 2063 6c61 7373 3d22 6564 6765 223e 5\" class=\"edge\">\n+00024080: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00024090: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+000240a0: 7574 696c 6974 7926 2334 353b 2667 743b utility->\n+000240b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000240c0: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio</title\n+000240d0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+000240e0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+000240f0: 6662 6622 2064 3d22 4d31 3731 372e 312c fbf\" d=\"M1717.1,\n+00024100: 2d35 3334 2e39 3443 3137 3538 2e31 342c -534.94C1758.14,\n+00024110: 2d35 3338 2e34 3220 3138 3136 2e39 372c -538.42 1816.97,\n+00024120: 2d35 3439 2e31 3820 3138 3535 2e35 362c -549.18 1855.56,\n+00024130: 2d35 3831 2e38 3320 3138 3731 2e35 342c -581.83 1871.54,\n+00024140: 2d35 3935 2e33 3520 3138 3830 2e36 352c -595.35 1880.65,\n+00024150: 2d36 3137 2e37 3620 3138 3833 2e39 312c -617.76 1883.91,\n+00024160: 2d36 3334 2e36 3222 2f3e 0a3c 706f 6c79 -634.62\"/>.<poly\n+00024170: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n+00024180: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n+00024190: 6266 2220 706f 696e 7473 3d22 3138 3830 bf\" points=\"1880\n+000241a0: 2e34 362c 2d36 3335 2e32 3820 3138 3835 .46,-635.28 1885\n+000241b0: 2e32 312c 2d36 3434 2e37 3620 3138 3837 .21,-644.76 1887\n+000241c0: 2e34 2c2d 3633 342e 3339 2031 3838 302e .4,-634.39 1880.\n+000241d0: 3436 2c2d 3633 352e 3238 222f 3e0a 3c2f 46,-635.28\"/>.</\n+000241e0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+000241f0: 7263 5f67 726f 6d61 6373 5f73 656c 6563 rc_gromacs_selec\n+00024200: 7469 6f6e 202d 2d3e 0a3c 6720 6964 3d22 tion -->.<g id=\"\n+00024210: 6e6f 6465 3430 2220 636c 6173 733d 226e node40\" class=\"n\n+00024220: 6f64 6522 3e0a 3c74 6974 6c65 3e6d 6f64 ode\">.<title>mod\n+00024230: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00024240: 7365 6c65 6374 696f 6e3c 2f74 6974 6c65 selection</title\n+00024250: 3e0a 3c67 2069 643d 2261 5f6e 6f64 6534 >.<g id=\"a_node4\n+00024260: 3022 3e3c 6120 786c 696e 6b3a 6872 6566 0\"><a xlink:href\n+00024270: 3d22 6772 6f75 705f 5f6d 6f64 756c 655f =\"group__module_\n+00024280: 5f73 656c 6563 7469 6f6e 2e78 6874 6d6c _selection.xhtml\n+00024290: 2220 7461 7267 6574 3d22 5f74 6f70 2220 \" target=\"_top\" \n+000242a0: 786c 696e 6b3a 7469 746c 653d 2273 656c xlink:title=\"sel\n+000242b0: 6563 7469 6f6e 223e 0a3c 656c 6c69 7073 ection\">.<ellips\n+000242c0: 6520 6669 6c6c 3d22 2366 6663 6363 6322 e fill=\"#ffcccc\"\n+000242d0: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+000242e0: 6378 3d22 3131 3830 2e35 3622 2063 793d cx=\"1180.56\" cy=\n+000242f0: 222d 3732 312e 3031 2220 7278 3d22 3339 \"-721.01\" rx=\"39\n+00024300: 2e37 2220 7279 3d22 3133 2e33 3722 2f3e .7\" ry=\"13.37\"/>\n+00024310: 0a3c 7465 7874 2074 6578 742d 616e 6368 .<text text-anch\n+00024320: 6f72 3d22 6d69 6464 6c65 2220 783d 2231 or=\"middle\" x=\"1\n+00024330: 3138 302e 3536 2220 793d 222d 3731 382e 180.56\" y=\"-718.\n+00024340: 3531 2220 666f 6e74 2d66 616d 696c 793d 51\" font-family=\n+00024350: 2246 7265 6553 616e 7322 2066 6f6e 742d \"FreeSans\" font-\n+00024360: 7369 7a65 3d22 3130 2e30 3022 3e73 656c size=\"10.00\">sel\n+00024370: 6563 7469 6f6e 3c2f 7465 7874 3e0a 3c2f ection</text>.</\n+00024380: 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d a>.</g>.</g>.<!-\n+00024390: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+000243a0: 6d61 6373 5f73 656c 6563 7469 6f6e 2623 macs_selection&#\n+000243b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000243c0: 635f 6772 6f6d 6163 735f 6f6e 6c69 6e65 c_gromacs_online\n+000243d0: 6865 6c70 202d 2d3e 0a3c 6720 6964 3d22 help -->.<g id=\"\n+000243e0: 6564 6765 3234 3222 2063 6c61 7373 3d22 edge242\" class=\"\n+000243f0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00024400: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00024410: 5f73 656c 6563 7469 6f6e 2623 3435 3b26 _selection-&\n+00024420: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00024430: 6f6d 6163 735f 6f6e 6c69 6e65 6865 6c70 omacs_onlinehelp\n+00024440: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n+00024450: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n+00024460: 653d 2223 3238 3266 6363 2220 643d 224d e=\"#282fcc\" d=\"M\n+00024470: 3132 3136 2e32 332c 2d37 3134 2e39 3643 1216.23,-714.96C\n+00024480: 3132 3333 2e37 382c 2d37 3132 2e35 3620 1233.78,-712.56 \n+00024490: 3132 3535 2e32 362c 2d37 3039 2e37 3520 1255.26,-709.75 \n+000244a0: 3132 3734 2e35 362c 2d37 3037 2e35 3720 1274.56,-707.57 \n+000244b0: 3134 3436 2e35 312c 2d36 3838 2e32 2031 1446.51,-688.2 1\n+000244c0: 3635 312e 3038 2c2d 3637 302e 3739 2031 651.08,-670.79 1\n+000244d0: 3734 342e 3037 2c2d 3636 332e 3139 222f 744.07,-663.19\"/\n+000244e0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+000244f0: 2223 3238 3266 6363 2220 7374 726f 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c_gromacs_select\n+000245e0: 696f 6e26 2334 353b 2667 743b 6d6f 6475 ion->modu\n+000245f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6f le_src_gromacs_o\n+00024600: 7074 696f 6e73 3c2f 7469 746c 653e 0a3c ptions</title>.<\n+00024610: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00024620: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00024630: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00024640: 6179 3d22 352c 3222 2064 3d22 4d31 3136 ay=\"5,2\" d=\"M116\n+00024650: 342e 312c 2d37 3038 2e35 3743 3131 3231 4.1,-708.57C1121\n+00024660: 2e36 392c 2d36 3737 2e39 3620 3130 3039 .69,-677.96 1009\n+00024670: 2e31 342c 2d35 3839 2e32 3120 3936 382e .14,-589.21 968.\n+00024680: 3536 2c2d 3438 322e 3936 2039 3634 2e33 56,-482.96 964.3\n+00024690: 2c2d 3437 312e 3820 3936 332e 3935 2c2d ,-471.8 963.95,-\n+000246a0: 3436 372e 3131 2039 3638 2e35 362c 2d34 467.11 968.56,-4\n+000246b0: 3536 2e30 3920 3938 362e 3132 2c2d 3431 56.09 986.12,-41\n+000246c0: 342e 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-->.<g id=\"edge2\n+000247b0: 3433 2220 636c 6173 733d 2265 6467 6522 43\" class=\"edge\"\n+000247c0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+000247d0: 7372 635f 6772 6f6d 6163 735f 7365 6c65 src_gromacs_sele\n+000247e0: 6374 696f 6e26 2334 353b 2667 743b 6d6f ction->mo\n+000247f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00024800: 5f72 616e 646f 6d3c 2f74 6974 6c65 3e0a _random</title>.\n+00024810: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n+00024820: 2220 7374 726f 6b65 3d22 2332 6363 6332 \" stroke=\"#2ccc2\n+00024830: 3822 2073 7472 6f6b 652d 6461 7368 6172 8\" stroke-dashar\n+00024840: 7261 793d 2235 2c32 2220 643d 224d 3131 ray=\"5,2\" d=\"M11\n+00024850: 3432 2e37 352c 2d37 3136 2e38 3443 3936 42.75,-716.84C96\n+00024860: 332e 3538 2c2d 3730 312e 3335 2032 3038 3.58,-701.35 208\n+00024870: 2e35 362c 2d36 3330 2e33 3220 3230 382e .56,-630.32 208.\n+00024880: 3536 2c2d 3533 332e 3420 3230 382e 3536 56,-533.4 208.56\n+00024890: 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6332 gon fill=\"#2ccc2\n+00024980: 3822 2073 7472 6f6b 653d 2223 3263 6363 8\" stroke=\"#2ccc\n+00024990: 3238 2220 706f 696e 7473 3d22 3139 3335 28\" points=\"1935\n+000249a0: 2e36 312c 2d31 3631 2e35 3820 3139 3435 .61,-161.58 1945\n+000249b0: 2e34 342c 2d31 3537 2e36 3520 3139 3335 .44,-157.65 1935\n+000249c0: 2e33 2c2d 3135 342e 3539 2031 3933 352e .3,-154.59 1935.\n+000249d0: 3631 2c2d 3136 312e 3538 222f 3e0a 3c2f 61,-161.58\"/>.</\n+000249e0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+000249f0: 7263 5f67 726f 6d61 6373 5f74 6162 6c65 rc_gromacs_table\n+00024a00: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00024a10: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+00024a20: 7970 6573 202d 2d3e 0a3c 6720 6964 3d22 ypes -->.<g id=\"\n+00024a30: 6564 6765 3234 3622 2063 6c61 7373 3d22 edge246\" class=\"\n+00024a40: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00024a50: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00024a60: 5f74 6162 6c65 7326 2334 353b 2667 743b _tables->\n+00024a70: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00024a80: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n+00024a90: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00024aa0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00024ab0: 6266 6266 2220 643d 224d 3838 322e 3832 bfbf\" d=\"M882.82\n+00024ac0: 2c2d 3933 2e33 3843 3832 362e 3931 2c2d ,-93.38C826.91,-\n+00024ad0: 3934 2e35 3620 3730 352e 3835 2c2d 3130 94.56 705.85,-10\n+00024ae0: 312e 3935 2036 3133 2e35 362c 2d31 3431 1.95 613.56,-141\n+00024af0: 2e37 3420 3437 322e 3738 2c2d 3230 322e .74 472.78,-202.\n+00024b00: 3434 2034 3735 2e32 312c 2d33 3032 2e38 44 475.21,-302.8\n+00024b10: 3320 3437 312e 3536 2c2d 3435 362e 3039 3 471.56,-456.09\n+00024b20: 2034 3637 2e31 342c 2d36 3431 2e36 2034 467.14,-641.6 4\n+00024b30: 3233 2e36 392c 2d37 3535 2035 3736 2e35 23.69,-755 576.5\n+00024b40: 362c 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2d3e omacs_mdspan -->\n+00024c30: 0a3c 6720 6964 3d22 6564 6765 3234 3522 .<g id=\"edge245\"\n+00024c40: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00024c50: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00024c60: 5f67 726f 6d61 6373 5f74 6162 6c65 7326 _gromacs_tables&\n+00024c70: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00024c80: 7263 5f67 726f 6d61 6373 5f6d 6473 7061 rc_gromacs_mdspa\n+00024c90: 6e3c 2f74 6974 6c65 3e0a 3c70 6174 6820 n</title>.<path \n+00024ca0: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n+00024cb0: 6b65 3d22 2332 3832 6663 6322 2073 7472 ke=\"#282fcc\" str\n+00024cc0: 6f6b 652d 6461 7368 6172 7261 793d 2235 oke-dasharray=\"5\n+00024cd0: 2c32 2220 643d 224d 3931 382e 3432 2c2d ,2\" d=\"M918.42,-\n+00024ce0: 3738 2e39 3943 3932 312e 342c 2d37 312e 78.99C921.4,-71.\n+00024cf0: 3432 2039 3235 2e33 322c 2d36 312e 3439 42 925.32,-61.49\n+00024d00: 2039 3238 2e38 322c 2d35 322e 3539 222f 928.82,-52.59\"/\n+00024d10: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+00024d20: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+00024d30: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n+00024d40: 733d 2239 3332 2e31 332c 2d35 332e 3734 s=\"932.13,-53.74\n+00024d50: 2039 3332 2e35 352c 2d34 332e 3135 2039 932.55,-43.15 9\n+00024d60: 3235 2e36 322c 2d35 312e 3137 2039 3332 25.62,-51.17 932\n+00024d70: 2e31 332c 2d35 332e 3734 222f 3e0a 3c2f .13,-53.74\"/>.</\n+00024d80: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00024d90: 7263 5f67 726f 6d61 6373 5f74 6162 6c65 rc_gromacs_table\n+00024da0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00024db0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n+00024dc0: 6569 6f20 2d2d 3e0a 3c67 2069 643d 2265 eio -->.<g id=\"e\n+00024dd0: 6467 6532 3434 2220 636c 6173 733d 2265 dge244\" class=\"e\n+00024de0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00024df0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00024e00: 7461 626c 6573 2623 3435 3b26 6774 3b6d tables->m\n+00024e10: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00024e20: 735f 6669 6c65 696f 3c2f 7469 746c 653e s_fileio</title>\n+00024e30: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .<path fill=\"non\n+00024e40: 6522 2073 7472 6f6b 653d 2223 6266 6266 e\" stroke=\"#bfbf\n+00024e50: 6266 2220 643d 224d 3934 332e 3737 2c2d bf\" d=\"M943.77,-\n+00024e60: 3933 2e39 3543 3130 3639 2e38 352c 2d39 93.95C1069.85,-9\n+00024e70: 362e 3835 2031 3535 342e 3431 2c2d 3130 6.85 1554.41,-10\n+00024e80: 392e 3835 2031 3730 332e 3536 2c2d 3134 9.85 1703.56,-14\n+00024e90: 312e 3734 2031 3730 392e 3432 2c2d 3134 1.74 1709.42,-14\n+00024ea0: 322e 3939 2031 3937 332e 3536 2c2d 3230 2.99 1973.56,-20\n+00024eb0: 372e 3832 2031 3937 332e 3536 2c2d 3237 7.82 1973.56,-27\n+00024ec0: 392e 3932 2031 3937 332e 3536 2c2d 3334 9.92 1973.56,-34\n+00024ed0: 342e 3739 2031 3937 332e 3536 2c2d 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_gromacs_swap\n+00024fc0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00024fd0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n+00024fe0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+00024ff0: 3235 3222 2063 6c61 7373 3d22 6564 6765 252\" class=\"edge\n+00025000: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00025010: 5f73 7263 5f67 726f 6d61 6373 5f73 7761 _src_gromacs_swa\n+00025020: 7026 2334 353b 2667 743b 6d6f 6475 6c65 p->module\n+00025030: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+00025040: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes</title>.<pa\n+00025050: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n+00025060: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n+00025070: 643d 224d 3134 3033 2e39 392c 2d34 3134 d=\"M1403.99,-414\n+00025080: 2e37 3243 3133 3937 2e37 322c 2d34 3136 .72C1397.72,-416\n+00025090: 2e35 3720 3133 3930 2e39 2c2d 3431 382e .57 1390.9,-418.\n+000250a0: 3520 3133 3834 2e35 362c 2d34 3230 2e30 5 1384.56,-420.0\n+000250b0: 3920 3133 3037 2e39 362c 2d34 3339 2e33 9 1307.96,-439.3\n+000250c0: 3220 3132 3737 2e36 322c 2d34 3134 2e33 2 1277.62,-414.3\n+000250d0: 3820 3132 3130 2e35 362c 2d34 3536 2e30 8 1210.56,-456.0\n+000250e0: 3920 3130 3332 2e34 312c 2d35 3636 2e38 9 1032.41,-566.8\n+000250f0: 3920 3131 3132 2e36 312c 2d37 3039 2e35 9 1112.61,-709.5\n+00025100: 3620 3936 362e 3536 2c2d 3836 302e 3138 6 966.56,-860.18\n+00025110: 2039 3533 2e31 312c 2d38 3734 2e30 3520 953.11,-874.05 \n+00025120: 3933 342e 392c 2d38 3835 2e35 3620 3931 934.9,-885.56 91\n+00025130: 392e 3335 2c2d 3839 332e 3838 222f 3e0a 9.35,-893.88\"/>.\n+00025140: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+00025150: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n+00025160: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n+00025170: 2239 3137 2e33 382c 2d38 3930 2e39 3620 \"917.38,-890.96 \n+00025180: 3931 302e 3038 2c2d 3839 382e 3634 2039 910.08,-898.64 9\n+00025190: 3230 2e35 372c 2d38 3937 2e31 3920 3931 20.57,-897.19 91\n+000251a0: 372e 3338 2c2d 3839 302e 3936 222f 3e0a 7.38,-890.96\"/>.\n+000251b0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+000251c0: 5f73 7263 5f67 726f 6d61 6373 5f73 7761 _src_gromacs_swa\n+000251d0: 7026 2334 353b 2667 743b 6d6f 6475 6c65 p->module\n+000251e0: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n+000251f0: 6465 6320 2d2d 3e0a 3c67 2069 643d 2265 dec -->.<g id=\"e\n+00025200: 6467 6532 3437 2220 636c 6173 733d 2265 dge247\" class=\"e\n+00025210: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00025220: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00025230: 7377 6170 2623 3435 3b26 6774 3b6d 6f64 swap->mod\n+00025240: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00025250: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c domdec</title>.<\n+00025260: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00025270: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00025280: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00025290: 6179 3d22 352c 3222 2064 3d22 4d31 3430 ay=\"5,2\" d=\"M140\n+000252a0: 332e 3837 2c2d 3339 3943 3133 3539 2e30 3.87,-399C1359.0\n+000252b0: 382c 2d33 3835 2e38 3620 3132 3536 2e31 8,-385.86 1256.1\n+000252c0: 332c 2d33 3535 2e36 3620 3131 3639 2e35 3,-355.66 1169.5\n+000252d0: 362c 2d33 3330 2e33 3520 3131 3235 2e33 6,-330.35 1125.3\n+000252e0: 2c2d 3331 372e 3431 2031 3037 342e 3339 ,-317.41 1074.39\n+000252f0: 2c2d 3330 322e 3536 2031 3034 302e 3734 ,-302.56 1040.74\n+00025300: 2c2d 3239 322e 3735 222f 3e0a 3c70 6f6c ,-292.75\"/>.<pol\n+00025310: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n+00025320: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n+00025330: 6663 6322 2070 6f69 6e74 733d 2231 3034 fcc\" points=\"104\n+00025340: 312e 3436 2c2d 3238 392e 3331 2031 3033 1.46,-289.31 103\n+00025350: 302e 3838 2c2d 3238 392e 3838 2031 3033 0.88,-289.88 103\n+00025360: 392e 352c 2d32 3936 2e30 3420 3130 3431 9.5,-296.04 1041\n+00025370: 2e34 362c 2d32 3839 2e33 3122 2f3e 0a3c .46,-289.31\"/>.<\n+00025380: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+00025390: 7372 635f 6772 6f6d 6163 735f 7377 6170 src_gromacs_swap\n+000253a0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000253b0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+000253c0: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467 b -->.<g id=\"edg\n+000253d0: 6532 3530 2220 636c 6173 733d 2265 6467 e250\" class=\"edg\n+000253e0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+000253f0: 655f 7372 635f 6772 6f6d 6163 735f 7377 e_src_gromacs_sw\n+00025400: 6170 2623 3435 3b26 6774 3b6d 6f64 756c ap->modul\n+00025410: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00025420: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib</title>.<pat\n+00025430: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n+00025440: 726f 6b65 3d22 2332 3832 6663 6322 2073 roke=\"#282fcc\" s\n+00025450: 7472 6f6b 652d 6461 7368 6172 7261 793d troke-dasharray=\n+00025460: 2235 2c32 2220 643d 224d 3134 3138 2e39 \"5,2\" d=\"M1418.9\n+00025470: 2c2d 3339 332e 3539 4331 3430 302e 3732 ,-393.59C1400.72\n+00025480: 2c2d 3336 362e 3038 2031 3335 322e 3033 ,-366.08 1352.03\n+00025490: 2c2d 3239 382e 3720 3132 3932 2e35 362c ,-298.7 1292.56,\n+000254a0: 2d32 3637 2e34 3820 3132 3130 2e39 332c -267.48 1210.93,\n+000254b0: 2d32 3234 2e36 3320 3131 3030 2e30 352c -224.63 1100.05,\n+000254c0: 2d32 3138 2e31 3820 3130 3432 2e32 342c -218.18 1042.24,\n+000254d0: 2d32 3138 2e30 3622 2f3e 0a3c 706f 6c79 -218.06\"/>.<poly\n+000254e0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n+000254f0: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n+00025500: 6363 2220 706f 696e 7473 3d22 3130 3432 cc\" points=\"1042\n+00025510: 2e30 362c 2d32 3134 2e35 3620 3130 3332 .06,-214.56 1032\n+00025520: 2e30 382c 2d32 3138 2e31 3120 3130 3432 .08,-218.11 1042\n+00025530: 2e30 392c 2d32 3231 2e35 3620 3130 3432 .09,-221.56 1042\n+00025540: 2e30 362c 2d32 3134 2e35 3622 2f3e 0a3c .06,-214.56\"/>.<\n+00025550: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+00025560: 7372 635f 6772 6f6d 6163 735f 7377 6170 src_gromacs_swap\n+00025570: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00025580: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+00025590: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564 ib -->.<g id=\"ed\n+000255a0: 6765 3234 3922 2063 6c61 7373 3d22 6564 ge249\" class=\"ed\n+000255b0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+000255c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n+000255d0: 7761 7026 2334 353b 2667 743b 6d6f 6475 wap->modu\n+000255e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+000255f0: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib</title>.<p\n+00025600: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" 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6f6c 7967 6f6e 2066 81\"/>.<polygon f\n+00025700: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+00025710: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n+00025720: 6f69 6e74 733d 2231 3130 372e 3935 2c2d oints=\"1107.95,-\n+00025730: 3736 302e 3137 2031 3131 312e 3335 2c2d 760.17 1111.35,-\n+00025740: 3737 302e 3231 2031 3131 342e 3935 2c2d 770.21 1114.95,-\n+00025750: 3736 302e 3235 2031 3130 372e 3935 2c2d 760.25 1107.95,-\n+00025760: 3736 302e 3137 222f 3e0a 3c2f 673e 0a3c 760.17\"/>.</g>.<\n+00025770: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00025780: 726f 6d61 6373 5f73 7761 7026 2334 353b romacs_swap-\n+00025790: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000257a0: 726f 6d61 6373 5f66 696c 6569 6f20 2d2d romacs_fileio --\n+000257b0: 3e0a 3c67 2069 643d 2265 6467 6532 3438 >.<g id=\"edge248\n+000257c0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+000257d0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+000257e0: 635f 6772 6f6d 6163 735f 7377 6170 2623 c_gromacs_swap&#\n+000257f0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00025800: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n+00025810: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n+00025820: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n+00025830: 653d 2223 6266 6266 6266 2220 643d 224d e=\"#bfbfbf\" d=\"M\n+00025840: 3134 3531 2e38 352c 2d34 3132 2e31 3543 1451.85,-412.15C\n+00025850: 3134 3838 2e39 352c 2d34 3139 2e31 3720 1488.95,-419.17 \n+00025860: 3135 3539 2e39 392c 2d34 3334 2e32 3320 1559.99,-434.23 \n+00025870: 3136 3137 2e35 362c 2d34 3536 2e30 3920 1617.56,-456.09 \n+00025880: 3137 3331 2e32 342c 2d34 3939 2e32 3620 1731.24,-499.26 \n+00025890: 3137 3833 2e38 352c 2d34 3837 2e34 3820 1783.85,-487.48 \n+000258a0: 3138 3630 2e35 362c 2d35 3831 2e38 3320 1860.56,-581.83 \n+000258b0: 3138 3732 2e36 362c 2d35 3936 2e37 3220 1872.66,-596.72 \n+000258c0: 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;module_src_grom\n-000259b0: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib</titl\n-000259c0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-000259d0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-000259e0: 6266 6266 2220 643d 224d 3134 3930 2e36 bfbf\" d=\"M1490.6\n-000259f0: 352c 2d38 3936 2e32 3643 3134 3635 2e32 5,-896.26C1465.2\n-00025a00: 372c 2d38 3337 2e39 3420 3133 3833 2e37 7,-837.94 1383.7\n-00025a10: 382c 2d35 3932 2e35 3220 3133 3730 2e35 8,-592.52 1370.5\n-00025a20: 362c 2d35 3831 2e38 3320 3132 3738 2e38 6,-581.83 1278.8\n-00025a30: 332c 2d35 3037 2e36 3320 3132 3034 2e37 3,-507.63 1204.7\n-00025a40: 332c 2d36 3132 2e37 3520 3131 3037 2e35 3,-612.75 1107.5\n-00025a50: 362c 2d35 3435 2e38 3320 3130 3233 2e36 6,-545.83 1023.6\n-00025a60: 372c 2d34 3838 2e30 3620 3939 372e 3536 7,-488.06 997.56\n-00025a70: 2c2d 3434 362e 3634 2039 3937 2e35 362c ,-446.64 997.56,\n-00025a80: 2d33 3434 2e37 3920 3939 372e 3536 2c2d -344.79 997.56,-\n-00025a90: 3334 342e 3739 2039 3937 2e35 362c 2d33 344.79 997.56,-3\n-00025aa0: 3434 2e37 3920 3939 372e 3536 2c2d 3231 44.79 997.56,-21\n-00025ab0: 372e 3035 2039 3937 2e35 362c 2d31 3933 7.05 997.56,-193\n-00025ac0: 2e31 3420 3130 3533 2e35 362c 2d32 3037 .14 1053.56,-207\n-00025ad0: 2e36 3820 3931 352e 3536 2c2d 3134 312e .68 915.56,-141.\n-00025ae0: 3734 2038 3431 2e34 392c 2d31 3036 2e33 74 841.49,-106.3\n-00025af0: 3520 3734 352e 3134 2c2d 3936 2e35 3720 5 745.14,-96.57 \n-00025b00: 3639 302e 3635 2c2d 3934 2e30 3122 2f3e 690.65,-94.01\"/>\n-00025b10: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-00025b20: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n-00025b30: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n-00025b40: 3d22 3639 302e 3436 2c2d 3930 2e35 2036 =\"690.46,-90.5 6\n-00025b50: 3830 2e33 332c 2d39 332e 3539 2036 3930 80.33,-93.59 690\n-00025b60: 2e31 382c 2d39 372e 3520 3639 302e 3436 .18,-97.5 690.46\n-00025b70: 2c2d 3930 2e35 222f 3e0a 3c2f 673e 0a3c ,-90.5\"/>.</g>.<\n-00025b80: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00025b90: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n-00025ba0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00025bb0: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n-00025bc0: 7279 202d 2d3e 0a3c 6720 6964 3d22 6564 ry -->.<g id=\"ed\n-00025bd0: 6765 3235 3122 2063 6c61 7373 3d22 6564 ge251\" class=\"ed\n-00025be0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-00025bf0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00025c00: 646c 6962 2623 3435 3b26 6774 3b6d 6f64 dlib->mod\n-00025c10: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00025c20: 7472 616a 6563 746f 7279 3c2f 7469 746c trajectory</titl\n-00025c30: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00025c40: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-00025c50: 6266 6266 2220 643d 224d 3135 3235 2e37 bfbf\" d=\"M1525.7\n-00025c60: 2c2d 3930 372e 3839 4331 3631 322e 3938 ,-907.89C1612.98\n-00025c70: 2c2d 3930 352e 3320 3138 3737 2e38 322c ,-905.3 1877.82,\n-00025c80: 2d38 3934 2e37 2031 3935 352e 3536 2c2d -894.7 1955.56,-\n-00025c90: 3836 302e 3138 2031 3937 312e 3932 2c2d 860.18 1971.92,-\n-00025ca0: 3835 322e 3932 2031 3937 312e 372c 2d38 852.92 1971.7,-8\n-00025cb0: 3434 2e36 3420 3139 3835 2e35 362c 2d38 44.64 1985.56,-8\n-00025cc0: 3333 2e33 3120 3139 3938 2e35 342c 2d38 33.31 1998.54,-8\n-00025cd0: 3232 2e37 2032 3031 332e 3531 2c2d 3831 22.7 2013.51,-81\n-00025ce0: 312e 3438 2032 3032 352e 3831 2c2d 3830 1.48 2025.81,-80\n-00025cf0: 322e 3531 222f 3e0a 3c70 6f6c 7967 6f6e 2.51\"/>.<polygon\n-00025d00: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n-00025d10: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n-00025d20: 2070 6f69 6e74 733d 2232 3032 382e 3137 points=\"2028.17\n-00025d30: 2c2d 3830 352e 3132 2032 3033 342e 3232 ,-805.12 2034.22\n-00025d40: 2c2d 3739 362e 3432 2032 3032 342e 3037 ,-796.42 2024.07\n-00025d50: 2c2d 3739 392e 3435 2032 3032 382e 3137 ,-799.45 2028.17\n-00025d60: 2c2d 3830 352e 3132 222f 3e0a 3c2f 673e ,-805.12\"/>.</g>\n-00025d70: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-00025d80: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n-00025d90: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00025da0: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n-00025db0: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n-00025dc0: 6532 3434 2220 636c 6173 733d 2265 6467 e244\" class=\"edg\n-00025dd0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-00025de0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00025df0: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n-00025e00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00025e10: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes</title>.<\n-00025e20: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path 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6f6c 7967 6f6e 2066 696c 6c3d 2272 <polygon fill=\"r\n-00025f20: 6564 2220 7374 726f 6b65 3d22 7265 6422 ed\" stroke=\"red\"\n-00025f30: 2070 6f69 6e74 733d 2231 3135 322e 3532 points=\"1152.52\n-00025f40: 2c2d 3733 332e 3232 2031 3134 312e 3934 ,-733.22 1141.94\n-00025f50: 2c2d 3733 322e 3631 2031 3134 392e 3833 ,-732.61 1149.83\n-00025f60: 2c2d 3733 392e 3638 2031 3135 322e 3532 ,-739.68 1152.52\n-00025f70: 2c2d 3733 332e 3232 222f 3e0a 3c2f 673e ,-733.22\"/>.</g>\n-00025f80: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-00025f90: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n-00025fa0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00025fb0: 635f 6772 6f6d 6163 735f 6e62 6e78 6d20 c_gromacs_nbnxm \n-00025fc0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n-00025fd0: 3534 2220 636c 6173 733d 2265 6467 6522 54\" class=\"edge\"\n-00025fe0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00025ff0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-00026000: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n-00026010: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e _src_gromacs_nbn\n-00026020: 786d 3c2f 7469 746c 653e 0a3c 7061 7468 xm</title>.<path\n-00026030: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n-00026040: 6f6b 653d 2272 6564 2220 643d 224d 3134 oke=\"red\" d=\"M14\n-00026050: 3731 2e38 332c 2d39 3033 2e36 3943 3134 71.83,-903.69C14\n-00026060: 3335 2e37 2c2d 3839 352e 3533 2031 3336 35.7,-895.53 136\n-00026070: 382e 3939 2c2d 3837 382e 3320 3133 3133 8.99,-878.3 1313\n-00026080: 2e35 362c 2d38 3630 2e31 3820 3132 3831 .56,-860.18 1281\n-00026090: 2e34 392c 2d38 3439 2e37 2031 3237 352e .49,-849.7 1275.\n-000260a0: 322c 2d38 3431 2e38 3720 3132 3432 2e35 2,-841.87 1242.5\n-000260b0: 362c 2d38 3333 2e33 3120 3131 3339 2e39 6,-833.31 1139.9\n-000260c0: 332c 2d38 3036 2e33 3820 3130 3931 2e31 3,-806.38 1091.1\n-000260d0: 342c 2d38 3631 2e33 3820 3130 3036 2e35 4,-861.38 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2e37 3420 3933 392e 3434 2c2d -236.74 939.44,-\n-000261d0: 3234 302e 3837 222f 3e0a 3c2f 673e 0a3c 240.87\"/>.</g>.<\n-000261e0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-000261f0: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n-00026200: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00026210: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n-00026220: 6c69 7479 202d 2d3e 0a3c 6720 6964 3d22 lity -->.<g id=\"\n-00026230: 6564 6765 3235 3922 2063 6c61 7373 3d22 edge259\" class=\"\n-00026240: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-00026250: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00026260: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d _mdlib->m\n-00026270: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00026280: 735f 6d64 7275 6e75 7469 6c69 7479 3c2f s_mdrunutility</\n-00026290: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-000262a0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" 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3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-000263a0: 3932 312e 3833 2c2d 3739 302e 3935 2039 921.83,-790.95 9\n-000263b0: 3131 2e33 332c 2d37 3932 2e33 3920 3932 11.33,-792.39 92\n-000263c0: 302e 3433 2c2d 3739 372e 3831 2039 3231 0.43,-797.81 921\n-000263d0: 2e38 332c 2d37 3930 2e39 3522 2f3e 0a3c .83,-790.95\"/>.<\n-000263e0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-000263f0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-00026400: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n-00026410: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n-00026420: 7061 7420 2d2d 3e0a 3c67 2069 643d 2265 pat -->.<g id=\"e\n-00026430: 6467 6532 3630 2220 636c 6173 733d 2265 dge260\" class=\"e\n-00026440: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-00026450: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00026460: 6d64 6c69 6226 2334 353b 2667 743b 6d6f mdlib->mo\n-00026470: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00026480: 5f63 6f6d 7061 743c 2f74 6974 6c65 3e0a _compat</title>.\n-00026490: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n-000264a0: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n-000264b0: 6322 2064 3d22 4d31 3532 352e 3439 2c2d c\" d=\"M1525.49,-\n-000264c0: 3930 372e 3337 4331 3538 342e 362c 2d39 907.37C1584.6,-9\n-000264d0: 3033 2e30 3420 3137 3231 2e37 2c2d 3838 03.04 1721.7,-88\n-000264e0: 332e 3720 3137 3830 2e35 362c 2d37 3937 3.7 1780.56,-797\n-000264f0: 2e33 3120 3137 3937 2e37 322c 2d37 3732 .31 1797.72,-772\n-00026500: 2e31 3320 3137 3537 2e32 312c 2d35 3632 .13 1757.21,-562\n-00026510: 2e34 3320 3137 3433 2e31 352c 2d34 3932 .43 1743.15,-492\n-00026520: 2e38 3622 2f3e 0a3c 706f 6c79 676f 6e20 .86\"/>.<polygon \n-00026530: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n-00026540: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n-00026550: 706f 696e 7473 3d22 3137 3436 2e35 362c 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6973 7465 645f 666f 7263 6573 cs_listed_forces\n-00026650: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n-00026660: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n-00026670: 653d 2223 3238 3266 6363 2220 7374 726f e=\"#282fcc\" stro\n-00026680: 6b65 2d64 6173 6861 7272 6179 3d22 352c ke-dasharray=\"5,\n-00026690: 3222 2064 3d22 4d31 3532 352e 3536 2c2d 2\" d=\"M1525.56,-\n-000266a0: 3930 372e 3137 4331 3630 342e 3432 2c2d 907.17C1604.42,-\n-000266b0: 3930 332e 3034 2031 3832 352e 392c 2d38 903.04 1825.9,-8\n-000266c0: 3839 2e35 3620 3138 3932 2e35 362c 2d38 89.56 1892.56,-8\n-000266d0: 3630 2e31 3820 3139 3331 2e37 342c 2d38 60.18 1931.74,-8\n-000266e0: 3432 2e39 3120 3139 3334 2e34 322c 2d38 42.91 1934.42,-8\n-000266f0: 3236 2e37 2031 3936 352e 3536 2c2d 3739 26.7 1965.56,-79\n-00026700: 372e 3331 2031 3937 372e 3635 2c2d 3738 7.31 1977.65,-78\n-00026710: 352e 3931 2031 3937 382e 3535 2c2d 3738 5.91 1978.55,-78\n-00026720: 302e 3737 2031 3939 312e 3536 2c2d 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6522 3e0a \" class=\"edge\">.\n-00026900: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00026910: 635f 6772 6f6d 6163 735f 6d64 6c69 6226 c_gromacs_mdlib&\n-00026920: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00026930: 7263 5f67 726f 6d61 6373 5f74 6162 6c65 rc_gromacs_table\n-00026940: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s</title>.<path \n-00026950: 6669 6c6c 3d22 6e6f 6e65 2220 7374 726f fill=\"none\" stro\n-00026960: 6b65 3d22 2332 3832 6663 6322 2073 7472 ke=\"#282fcc\" str\n-00026970: 6f6b 652d 6461 7368 6172 7261 793d 2235 oke-dasharray=\"5\n-00026980: 2c32 2220 643d 224d 3135 3235 2e36 392c ,2\" d=\"M1525.69,\n-00026990: 2d39 3038 2e31 3243 3136 3030 2e30 362c -908.12C1600.06,\n-000269a0: 2d39 3036 2e33 3220 3138 3037 2e37 332c -906.32 1807.73,\n-000269b0: 2d38 3937 2e39 3920 3139 3735 2e35 362c -897.99 1975.56,\n-000269c0: 2d38 3630 2e31 3820 3231 3338 2e30 332c -860.18 2138.03,\n-000269d0: 2d38 3233 2e35 3820 3231 3939 2e39 382c -823.58 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e_src_gromacs_md\n-00026bb0: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n-00026bc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-00026bd0: 7761 6c64 3c2f 7469 746c 653e 0a3c 7061 wald</title>.<pa\n-00026be0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n-00026bf0: 7472 6f6b 653d 2272 6564 2220 643d 224d troke=\"red\" d=\"M\n-00026c00: 3134 3936 2e31 352c 2d38 3936 2e31 3843 1496.15,-896.18C\n-00026c10: 3134 3937 2e35 362c 2d38 3437 2e31 3520 1497.56,-847.15 \n-00026c20: 3135 3232 2e38 312c 2d36 3638 2e37 2031 1522.81,-668.7 1\n-00026c30: 3531 342e 3536 2c2d 3634 342e 3720 3134 514.56,-644.7 14\n-00026c40: 3930 2e32 342c 2d35 3733 2e39 3220 3134 90.24,-573.92 14\n-00026c50: 3636 2e32 332c 2d35 3538 2e32 3920 3134 66.23,-558.29 14\n-00026c60: 3032 2e35 362c 2d35 3138 2e39 3620 3133 02.56,-518.96 13\n-00026c70: 3933 2e31 392c 2d35 3133 2e31 3820 3133 93.19,-513.18 13\n-00026c80: 3335 2e30 372c 2d34 3934 2e35 3520 3132 35.07,-494.55 12\n-00026c90: 3937 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6c65 5f73 .<title>module_s\n-00026d80: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n-00026d90: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00026da0: 7372 635f 6772 6f6d 6163 735f 696d 643c src_gromacs_imd<\n-00026db0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00026dc0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00026dd0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-00026de0: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-00026df0: 2220 643d 224d 3134 3732 2e34 352c 2d39 \" d=\"M1472.45,-9\n-00026e00: 3033 2e30 3943 3134 3138 2e34 342c 2d38 03.09C1418.44,-8\n-00026e10: 3839 2e38 3920 3132 3838 2e34 312c 2d38 89.89 1288.41,-8\n-00026e20: 3535 2e39 3520 3131 3738 2e35 362c 2d38 55.95 1178.56,-8\n-00026e30: 3333 2e33 3120 3130 3834 2e39 362c 2d38 33.31 1084.96,-8\n-00026e40: 3134 2e30 3220 3130 3434 2e39 322c 2d38 14.02 1044.92,-8\n-00026e50: 3532 2e30 3220 3936 362e 3536 2c2d 3739 52.02 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3139 2c2d 3535 302e 3037 2038 3239 6.19,-550.07 829\n-00026f50: 2e32 372c 2d35 3433 2e37 3822 2f3e 0a3c .27,-543.78\"/>.<\n-00026f60: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-00026f70: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-00026f80: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n-00026f90: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n-00026fa0: 6c69 6564 5f66 6f72 6365 735f 6177 6820 lied_forces_awh \n-00026fb0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n-00026fc0: 3537 2220 636c 6173 733d 2265 6467 6522 57\" class=\"edge\"\n-00026fd0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00026fe0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-00026ff0: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n-00027000: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n-00027010: 6c69 6564 5f66 6f72 6365 735f 6177 683c lied_forces_awh<\n-00027020: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00027030: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00027040: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-00027050: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-00027060: 2220 643d 224d 3134 3737 2e36 342c 2d38 \" d=\"M1477.64,-8\n-00027070: 3939 2e38 3943 3134 3533 2e39 382c 2d38 99.89C1453.98,-8\n-00027080: 3839 2e35 3320 3134 3134 2e33 2c2d 3837 89.53 1414.3,-87\n-00027090: 322e 3136 2031 3338 372e 3331 2c2d 3836 2.16 1387.31,-86\n-000270a0: 302e 3334 222f 3e0a 3c70 6f6c 7967 6f6e 0.34\"/>.<polygon\n-000270b0: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n-000270c0: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n-000270d0: 2070 6f69 6e74 733d 2231 3338 382e 3535 points=\"1388.55\n-000270e0: 2c2d 3835 372e 3036 2031 3337 372e 3939 ,-857.06 1377.99\n-000270f0: 2c2d 3835 362e 3235 2031 3338 352e 3735 ,-856.25 1385.75\n-00027100: 2c2d 3836 332e 3437 2031 3338 382e 3535 ,-863.47 1388.55\n-00027110: 2c2d 3835 372e 3036 222f 3e0a 3c2f 673e ,-857.06\"/>.</g>\n-00027120: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-00027130: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n-00027140: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00027150: 635f 7465 7374 7574 696c 7320 2d2d 3e0a c_testutils -->.\n-00027160: 3c67 2069 643d 2265 6467 6532 3631 2220 <g id=\"edge261\" \n-00027170: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-00027180: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-00027190: 6772 6f6d 6163 735f 6d64 6c69 6226 2334 gromacs_mdlib\n-000271a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000271b0: 5f74 6573 7475 7469 6c73 3c2f 7469 746c _testutils</titl\n-000271c0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-000271d0: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n-000271e0: 2220 643d 224d 3135 3234 2e30 312c 2d39 \" d=\"M1524.01,-9\n-000271f0: 3134 2e36 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7263 .<!-- module_src\n-000272e0: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67 _gromacs_topolog\n-000272f0: 7920 2d2d 3e0a 3c67 2069 643d 226e 6f64 y -->.<g id=\"nod\n-00027300: 6534 3722 2063 6c61 7373 3d22 6e6f 6465 e47\" class=\"node\n-00027310: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-00027320: 5f73 7263 5f67 726f 6d61 6373 5f74 6f70 _src_gromacs_top\n-00027330: 6f6c 6f67 793c 2f74 6974 6c65 3e0a 3c65 ology</title>.<e\n-00027340: 6c6c 6970 7365 2066 696c 6c3d 2223 6266 llipse fill=\"#bf\n-00027350: 6266 6266 2220 7374 726f 6b65 3d22 626c bfbf\" stroke=\"bl\n-00027360: 6163 6b22 2063 783d 2231 3733 342e 3536 ack\" cx=\"1734.56\n-00027370: 2220 6379 3d22 2d37 3833 2e38 3822 2072 \" cy=\"-783.88\" r\n-00027380: 783d 2233 372e 3435 2220 7279 3d22 3133 x=\"37.45\" ry=\"13\n-00027390: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578 .37\"/>.<text tex\n-000273a0: 742d 616e 6368 6f72 3d22 6d69 6464 6c65 t-anchor=\"middle\n-000273b0: 2220 783d 2231 3733 342e 3536 2220 793d \" x=\"1734.56\" y=\n-000273c0: 222d 3738 312e 3338 2220 666f 6e74 2d66 \"-781.38\" font-f\n-000273d0: 616d 696c 793d 2246 7265 6553 616e 7322 amily=\"FreeSans\"\n-000273e0: 2066 6f6e 742d 7369 7a65 3d22 3130 2e30 font-size=\"10.0\n-000273f0: 3022 3e74 6f70 6f6c 6f67 793c 2f74 6578 0\">topology</tex\n-00027400: 743e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 t>.</g>.<!-- mod\n-00027410: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00027420: 746f 706f 6c6f 6779 2623 3435 3b26 6774 topology->\n-00027430: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00027440: 6163 735f 6d64 7479 7065 7320 2d2d 3e0a acs_mdtypes -->.\n-00027450: 3c67 2069 643d 2265 6467 6532 3632 2220 <g id=\"edge262\" \n-00027460: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-00027470: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-00027480: 6772 6f6d 6163 735f 746f 706f 6c6f 6779 gromacs_topology\n-00027490: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000274a0: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n-000274b0: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes</title>.<pat\n-000274c0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n-000274d0: 726f 6b65 3d22 2332 3832 6663 6322 2073 roke=\"#282fcc\" s\n-000274e0: 7472 6f6b 652d 6461 7368 6172 7261 793d troke-dasharray=\n-000274f0: 2235 2c32 2220 643d 224d 3136 3938 2e39 \"5,2\" d=\"M1698.9\n-00027500: 352c 2d37 3739 2e33 3443 3135 3933 2e39 5,-779.34C1593.9\n-00027510: 312c 2d37 3638 2e39 3120 3132 3835 2e33 1,-768.91 1285.3\n-00027520: 322c 2d37 3338 2e32 3720 3131 3637 2e37 2,-738.27 1167.7\n-00027530: 362c 2d37 3236 2e35 3922 2f3e 0a3c 706f 6,-726.59\"/>.<po\n-00027540: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n-00027550: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n-00027560: 3266 6363 2220 706f 696e 7473 3d22 3131 2fcc\" points=\"11\n-00027570: 3637 2e39 352c 2d37 3233 2e30 3920 3131 67.95,-723.09 11\n-00027580: 3537 2e36 352c 2d37 3235 2e35 3920 3131 57.65,-725.59 11\n-00027590: 3637 2e32 362c 2d37 3330 2e30 3620 3131 67.26,-730.06 11\n-000275a0: 3637 2e39 352c 2d37 3233 2e30 3922 2f3e 67.95,-723.09\"/>\n-000275b0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-000275c0: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n-000275d0: 706f 6c6f 6779 2623 3435 3b26 6774 3b6d pology->m\n-000275e0: 6f64 756c 655f 7372 635f 7465 7374 7574 odule_src_testut\n-000275f0: 696c 7320 2d2d 3e0a 3c67 2069 643d 2265 ils -->.<g id=\"e\n-00027600: 6467 6532 3633 2220 636c 6173 733d 2265 dge263\" class=\"e\n-00027610: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-00027620: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00027630: 746f 706f 6c6f 6779 2623 3435 3b26 6774 topology->\n-00027640: 3b6d 6f64 756c 655f 7372 635f 7465 7374 ;module_src_test\n-00027650: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70 utils</title>.<p\n-00027660: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n-00027670: 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342e 3538 2656.31,-1074.58\n-00027760: 2032 3635 342e 3638 2c2d 3130 3835 2e30 2654.68,-1085.0\n-00027770: 3520 3236 3632 2e34 382c 2d31 3037 372e 5 2662.48,-1077.\n-00027780: 3837 2032 3635 362e 3331 2c2d 3130 3734 87 2656.31,-1074\n-00027790: 2e35 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d .58\"/>.</g>.<!--\n-000277a0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-000277b0: 6163 735f 7062 6375 7469 6c20 2d2d 3e0a acs_pbcutil -->.\n-000277c0: 3c67 2069 643d 226e 6f64 6534 3822 2063 <g id=\"node48\" c\n-000277d0: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469 lass=\"node\">.<ti\n-000277e0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-000277f0: 726f 6d61 6373 5f70 6263 7574 696c 3c2f romacs_pbcutil</\n-00027800: 7469 746c 653e 0a3c 656c 6c69 7073 6520 title>.<ellipse \n-00027810: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n-00027820: 7472 6f6b 653d 2262 6c61 636b 2220 6378 troke=\"black\" cx\n-00027830: 3d22 3136 3039 2e35 3622 2063 793d 222d =\"1609.56\" cy=\"-\n-00027840: 3334 332e 3739 2220 7278 3d22 3331 2e36 343.79\" rx=\"31.6\n-00027850: 3422 2072 793d 2231 332e 3337 222f 3e0a 4\" ry=\"13.37\"/>.\n-00027860: 3c74 6578 7420 7465 7874 2d61 6e63 686f <text text-ancho\n-00027870: 723d 226d 6964 646c 6522 2078 3d22 3136 r=\"middle\" x=\"16\n-00027880: 3039 2e35 3622 2079 3d22 2d33 3431 2e32 09.56\" y=\"-341.2\n-00027890: 3922 2066 6f6e 742d 6661 6d69 6c79 3d22 9\" font-family=\"\n-000278a0: 4672 6565 5361 6e73 2220 666f 6e74 2d73 FreeSans\" font-s\n-000278b0: 697a 653d 2231 302e 3030 223e 7062 6375 ize=\"10.00\">pbcu\n-000278c0: 7469 6c3c 2f74 6578 743e 0a3c 2f67 3e0a til</text>.</g>.\n-000278d0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-000278e0: 6772 6f6d 6163 735f 7062 6375 7469 6c26 gromacs_pbcutil&\n-000278f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00027900: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n-00027910: 7469 6c73 202d 2d3e 0a3c 6720 6964 3d22 tils -->.<g id=\"\n-00027920: 6564 6765 3236 3422 2063 6c61 7373 3d22 edge264\" class=\"\n-00027930: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-00027940: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00027950: 5f70 6263 7574 696c 2623 3435 3b26 6774 _pbcutil->\n-00027960: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00027970: 6163 735f 6770 755f 7574 696c 733c 2f74 acs_gpu_utils</t\n-00027980: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00027990: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-000279a0: 2362 6662 6662 6622 2064 3d22 4d31 3538 #bfbfbf\" d=\"M158\n-000279b0: 352e 3031 2c2d 3333 352e 3243 3135 3531 5.01,-335.2C1551\n-000279c0: 2e31 362c 2d33 3234 2e37 3420 3134 3839 .16,-324.74 1489\n-000279d0: 2e38 352c 2d33 3035 2e38 2031 3435 302e .85,-305.8 1450.\n-000279e0: 3139 2c2d 3239 332e 3534 222f 3e0a 3c70 19,-293.54\"/>.<p\n-000279f0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n-00027a00: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n-00027a10: 6662 6662 6622 2070 6f69 6e74 733d 2231 fbfbf\" points=\"1\n-00027a20: 3435 312e 3139 2c2d 3239 302e 3139 2031 451.19,-290.19 1\n-00027a30: 3434 302e 3631 2c2d 3239 302e 3538 2031 440.61,-290.58 1\n-00027a40: 3434 392e 3133 2c2d 3239 362e 3838 2031 449.13,-296.88 1\n-00027a50: 3435 312e 3139 2c2d 3239 302e 3139 222f 451.19,-290.19\"/\n-00027a60: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n-00027a70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n-00027a80: 7070 6c69 6564 5f66 6f72 6365 735f 6177 pplied_forces_aw\n-00027a90: 6826 2334 353b 2667 743b 6d6f 6475 6c65 h->module\n-00027aa0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n-00027ab0: 6569 6f20 2d2d 3e0a 3c67 2069 643d 2265 eio -->.<g id=\"e\n-00027ac0: 6467 6532 3732 2220 636c 6173 733d 2265 dge272\" class=\"e\n-00027ad0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-00027ae0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00027af0: 6170 706c 6965 645f 666f 7263 6573 5f61 applied_forces_a\n-00027b00: 7768 2623 3435 3b26 6774 3b6d 6f64 756c wh->modul\n-00027b10: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-00027b20: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio</title>.<pa\n-00027b30: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n-00027b40: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n-00027b50: 643d 224d 3133 3535 2e34 392c 2d38 3630 d=\"M1355.49,-860\n-00027b60: 2e31 3643 3133 3432 2e32 322c 2d38 3836 .16C1342.22,-886\n-00027b70: 2e36 3320 3132 3937 2e39 322c 2d39 3439 .63 1297.92,-949\n-00027b80: 2e32 3120 3132 3436 2e35 362c 2d39 3835 .21 1246.56,-985\n-00027b90: 2e39 3220 3132 3138 2e36 2c2d 3130 3035 .92 1218.6,-1005\n-00027ba0: 2e39 2031 3138 312e 3138 2c2d 3130 3139 .9 1181.18,-1019\n-00027bb0: 2e34 3620 3131 3534 2e30 342c 2d31 3032 .46 1154.04,-102\n-00027bc0: 372e 3033 222f 3e0a 3c70 6f6c 7967 6f6e 7.03\"/>.<polygon\n-00027bd0: 2066 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655f >.<title>module_\n-00027cc0: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n-00027cd0: 6965 645f 666f 7263 6573 5f61 7768 2623 ied_forces_awh&#\n-00027ce0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00027cf0: 635f 6772 6f6d 6163 735f 6d64 7370 616e c_gromacs_mdspan\n-00027d00: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 </title>.<path f\n-00027d10: 696c 6c3d 226e 6f6e 6522 2073 7472 6f6b ill=\"none\" strok\n-00027d20: 653d 2223 3238 3266 6363 2220 7374 726f e=\"#282fcc\" stro\n-00027d30: 6b65 2d64 6173 6861 7272 6179 3d22 352c ke-dasharray=\"5,\n-00027d40: 3222 2064 3d22 4d31 3338 352e 3533 2c2d 2\" d=\"M1385.53,-\n-00027d50: 3834 352e 3743 3135 3032 2e31 342c 2d38 845.7C1502.14,-8\n-00027d60: 3435 2e32 3520 3139 3633 2e33 312c 2d38 45.25 1963.31,-8\n-00027d70: 3430 2e37 2032 3130 302e 3536 2c2d 3739 40.7 2100.56,-79\n-00027d80: 372e 3331 2032 3236 342e 3331 2c2d 3734 7.31 2264.31,-74\n-00027d90: 352e 3534 2032 3433 302e 3536 2c2d 3736 5.54 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odule_src_gromac\n-00027f70: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n-00027f80: 5f61 7768 2623 3435 3b26 6774 3b6d 6f64 _awh->mod\n-00027f90: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00027fa0: 7261 6e64 6f6d 3c2f 7469 746c 653e 0a3c random</title>.<\n-00027fb0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00027fc0: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n-00027fd0: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n-00027fe0: 3d22 352c 3222 2064 3d22 4d31 3338 352e =\"5,2\" d=\"M1385.\n-00027ff0: 3637 2c2d 3834 352e 3132 4331 3435 332e 67,-845.12C1453.\n-00028000: 3333 2c2d 3834 332e 3031 2031 3633 342e 33,-843.01 1634.\n-00028010: 3639 2c2d 3833 342e 3120 3137 3830 2e35 69,-834.1 1780.5\n-00028020: 362c 2d37 3937 2e33 3120 3139 3236 2e37 6,-797.31 1926.7\n-00028030: 332c 2d37 3630 2e34 3520 3139 3836 2e33 3,-760.45 1986.3\n-00028040: 322c 2d37 3735 2e34 3520 3230 3935 2e35 2,-775.45 2095.5\n-00028050: 362c 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5f73 7263 .<!-- module_src\n-00028140: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n-00028150: 5f66 6f72 6365 735f 6177 6826 2334 353b _forces_awh-\n-00028160: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00028170: 726f 6d61 6373 5f67 6d78 6c69 6220 2d2d romacs_gmxlib --\n-00028180: 3e0a 3c67 2069 643d 2265 6467 6532 3733 >.<g id=\"edge273\n-00028190: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-000281a0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-000281b0: 635f 6772 6f6d 6163 735f 6170 706c 6965 c_gromacs_applie\n-000281c0: 645f 666f 7263 6573 5f61 7768 2623 3435 d_forces_awh-\n-000281d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000281e0: 6772 6f6d 6163 735f 676d 786c 6962 3c2f gromacs_gmxlib</\n-000281f0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00028200: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00028210: 2223 6266 6266 6266 2220 643d 224d 3133 \"#bfbfbf\" d=\"M13\n-00028220: 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c\n-000283f0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-00028400: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00028410: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-00028420: 6f72 6365 735f 6177 6826 2334 353b 2667 orces_awh-&g\n-00028430: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00028440: 6d61 6373 5f74 7261 6a65 6374 6f72 793c macs_trajectory<\n-00028450: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00028460: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00028470: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n-00028480: 3338 352e 3034 2c2d 3834 332e 3735 4331 385.04,-843.75C1\n-00028490: 3436 362e 3934 2c2d 3833 372e 3533 2031 466.94,-837.53 1\n-000284a0: 3732 332e 3432 2c2d 3831 372e 3638 2031 723.42,-817.68 1\n-000284b0: 3933 352e 3536 2c2d 3739 372e 3331 2031 935.56,-797.31 1\n-000284c0: 3935 372e 3632 2c2d 3739 352e 3139 2031 957.62,-795.19 1\n-000284d0: 3938 322e 3033 2c2d 3739 322e 3539 2032 982.03,-792.59 2\n-000284e0: 3030 322e 3637 2c2d 3739 302e 3331 222f 002.67,-790.31\"/\n-000284f0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-00028500: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n-00028510: 3d22 2362 6662 6662 6622 2070 6f69 6e74 =\"#bfbfbf\" point\n-00028520: 733d 2232 3030 332e 3232 2c2d 3739 332e s=\"2003.22,-793.\n-00028530: 3737 2032 3031 322e 3737 2c2d 3738 392e 77 2012.77,-789.\n-00028540: 3139 2032 3030 322e 3435 2c2d 3738 362e 19 2002.45,-786.\n-00028550: 3832 2032 3030 332e 3232 2c2d 3739 332e 82 2003.22,-793.\n-00028560: 3737 222f 3e0a 3c2f 673e 0a3c 212d 2d20 77\"/>.</g>.<!-- \n-00028570: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00028580: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n-00028590: 735f 6177 6826 2334 353b 2667 743b 6d6f s_awh->mo\n-000285a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000285b0: 5f6d 6474 7970 6573 202d 2d3e 0a3c 6720 _mdtypes -->.<g \n-000285c0: 6964 3d22 6564 6765 3237 3022 2063 6c61 id=\"edge270\" cla\n-000285d0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-000285e0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-000285f0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n-00028600: 6365 735f 6177 6826 2334 353b 2667 743b ces_awh->\n-00028610: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00028620: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n-00028630: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00028640: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-00028650: 6266 6266 2220 643d 224d 3133 3339 2e30 bfbf\" d=\"M1339.0\n-00028660: 352c 2d38 3337 2e34 3343 3132 3936 2e33 5,-837.43C1296.3\n-00028670: 332c 2d38 3137 2e31 3120 3131 3935 2e34 3,-817.11 1195.4\n-00028680: 362c 2d37 3634 2e36 3420 3131 3437 2e35 6,-764.64 1147.5\n-00028690: 2c2d 3733 382e 3031 222f 3e0a 3c70 6f6c ,-738.01\"/>.<pol\n-000286a0: 7967 6f6e 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3138 50.82,-581.88 18\n+00025d10: 3739 2e37 342c 2d35 3931 2e32 3420 3139 79.74,-591.24 19\n+00025d20: 3034 2e35 362c 2d35 3435 2e38 3320 3139 04.56,-545.83 19\n+00025d30: 3130 2e32 392c 2d35 3335 2e33 3520 3139 10.29,-535.35 19\n+00025d40: 3131 2e35 382c 2d35 3238 2e36 3220 3139 11.58,-528.62 19\n+00025d50: 3034 2e35 362c 2d35 3138 2e39 3620 3138 04.56,-518.96 18\n+00025d60: 3131 2e31 352c 2d33 3930 2e35 2031 3238 11.15,-390.5 128\n+00025d70: 322e 3338 2c2d 3335 342e 3620 3131 3235 2.38,-354.6 1125\n+00025d80: 2e34 362c 2d33 3436 2e37 222f 3e0a 3c70 .46,-346.7\"/>.<p\n+00025d90: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3263 olygon fill=\"#2c\n+00025da0: 6363 3238 2220 7374 726f 6b65 3d22 2332 cc28\" stroke=\"#2\n+00025db0: 6363 6332 3822 2070 6f69 6e74 733d 2231 ccc28\" points=\"1\n+00025dc0: 3132 352e 342c 2d33 3433 2e32 2031 3131 125.4,-343.2 111\n+00025dd0: 352e 3234 2c2d 3334 362e 3220 3131 3235 5.24,-346.2 1125\n+00025de0: 2e30 362c 2d33 3530 2e31 3920 3131 3235 .06,-350.19 1125\n+00025df0: 2e34 2c2d 3334 332e 3222 2f3e 0a3c 2f67 .4,-343.2\"/>.</g\n+00025e00: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00025e10: 635f 6772 6f6d 6163 735f 6d61 7468 2623 c_gromacs_math&#\n+00025e20: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00025e30: 635f 6772 6f6d 6163 735f 6d64 7370 616e c_gromacs_mdspan\n+00025e40: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+00025e50: 3235 3422 2063 6c61 7373 3d22 6564 6765 254\" class=\"edge\n+00025e60: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00025e70: 5f73 7263 5f67 726f 6d61 6373 5f6d 6174 _src_gromacs_mat\n+00025e80: 6826 2334 353b 2667 743b 6d6f 6475 6c65 h->module\n+00025e90: 5f73 7263 5f67 726f 6d61 6373 5f6d 6473 _src_gromacs_mds\n+00025ea0: 7061 6e3c 2f74 6974 6c65 3e0a 3c70 6174 pan</title>.<pat\n+00025eb0: 6820 6669 6c6c 3d22 6e6f 6e65 2220 7374 h fill=\"none\" st\n+00025ec0: 726f 6b65 3d22 7265 6422 2064 3d22 4d35 roke=\"red\" d=\"M5\n+00025ed0: 3535 2e30 392c 2d38 342e 3036 4335 3631 55.09,-84.06C561\n+00025ee0: 2e33 322c 2d38 322e 3136 2035 3638 2e31 .32,-82.16 568.1\n+00025ef0: 362c 2d38 302e 3236 2035 3734 2e35 362c 6,-80.26 574.56,\n+00025f00: 2d37 382e 3837 2036 3837 2e37 342c 2d35 -78.87 687.74,-5\n+00025f10: 342e 3333 2038 3233 2e36 332c 2d34 302e 4.33 823.63,-40.\n+00025f20: 3139 2038 3932 2e36 322c 2d33 342e 3037 19 892.62,-34.07\n+00025f30: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+00025f40: 6c3d 2272 6564 2220 7374 726f 6b65 3d22 l=\"red\" stroke=\"\n+00025f50: 7265 6422 2070 6f69 6e74 733d 2238 3933 red\" points=\"893\n+00025f60: 2e30 342c 2d33 372e 3535 2039 3032 2e37 .04,-37.55 902.7\n+00025f70: 2c2d 3333 2e32 2038 3932 2e34 342c 2d33 ,-33.2 892.44,-3\n+00025f80: 302e 3538 2038 3933 2e30 342c 2d33 372e 0.58 893.04,-37.\n+00025f90: 3535 222f 3e0a 3c2f 673e 0a3c 212d 2d20 55\"/>.</g>.<!-- \n+00025fa0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00025fb0: 6373 5f73 696d 6420 2d2d 3e0a 3c67 2069 cs_simd -->.<g i\n+00025fc0: 643d 226e 6f64 6534 3522 2063 6c61 7373 d=\"node45\" class\n+00025fd0: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e =\"node\">.<title>\n+00025fe0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00025ff0: 6373 5f73 696d 643c 2f74 6974 6c65 3e0a cs_simd</title>.\n+00026000: 3c67 2069 643d 2261 5f6e 6f64 6534 3522 <g id=\"a_node45\"\n+00026010: 3e3c 6120 786c 696e 6b3a 6872 6566 3d22 ><a xlink:href=\"\n+00026020: 6772 6f75 705f 5f6d 6f64 756c 655f 5f73 group__module__s\n+00026030: 696d 642e 7868 746d 6c22 2074 6172 6765 imd.xhtml\" targe\n+00026040: 743d 225f 746f 7022 2078 6c69 6e6b 3a74 t=\"_top\" xlink:t\n+00026050: 6974 6c65 3d22 7369 6d64 223e 0a3c 656c itle=\"simd\">.<el\n+00026060: 6c69 7073 6520 6669 6c6c 3d22 2366 6665 lipse fill=\"#ffe\n+00026070: 3463 6322 2073 7472 6f6b 653d 2262 6c61 4cc\" stroke=\"bla\n+00026080: 636b 2220 6378 3d22 3231 342e 3536 2220 ck\" cx=\"214.56\" \n+00026090: 6379 3d22 2d31 3039 382e 3233 2220 7278 cy=\"-1098.23\" rx\n+000260a0: 3d22 3237 2220 7279 3d22 3133 2e33 3722 =\"27\" ry=\"13.37\"\n+000260b0: 2f3e 0a3c 7465 7874 2074 6578 742d 616e />.<text text-an\n+000260c0: 6368 6f72 3d22 6d69 6464 6c65 2220 783d chor=\"middle\" x=\n+000260d0: 2232 3134 2e35 3622 2079 3d22 2d31 3039 \"214.56\" y=\"-109\n+000260e0: 352e 3733 2220 666f 6e74 2d66 616d 696c 5.73\" font-famil\n+000260f0: 793d 2246 7265 6553 616e 7322 2066 6f6e y=\"FreeSans\" fon\n+00026100: 742d 7369 7a65 3d22 3130 2e30 3022 3e73 t-size=\"10.00\">s\n+00026110: 696d 643c 2f74 6578 743e 0a3c 2f61 3e0a imd</text>.</a>.\n+00026120: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d </g>.</g>.<!-- m\n+00026130: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00026140: 735f 636f 7272 656c 6174 696f 6e66 756e s_correlationfun\n+00026150: 6374 696f 6e73 2623 3435 3b26 6774 3b6d ctions->m\n+00026160: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00026170: 735f 636f 6d6d 616e 646c 696e 6520 2d2d s_commandline --\n+00026180: 3e0a 3c67 2069 643d 2265 6467 6532 3537 >.<g id=\"edge257\n+00026190: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+000261a0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+000261b0: 635f 6772 6f6d 6163 735f 636f 7272 656c c_gromacs_correl\n+000261c0: 6174 696f 6e66 756e 6374 696f 6e73 2623 ationfunctions&#\n+000261d0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000261e0: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n+000261f0: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70 dline</title>.<p\n+00026200: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n+00026210: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n+00026220: 2064 3d22 4d31 3937 332e 3131 2c2d 3833 d=\"M1973.11,-83\n+00026230: 352e 3932 4331 3934 302e 3237 2c2d 3832 5.92C1940.27,-82\n+00026240: 372e 3620 3138 3934 2e30 352c 2d38 3134 7.6 1894.05,-814\n+00026250: 2e33 3220 3138 3535 2e35 362c 2d37 3937 .32 1855.56,-797\n+00026260: 2e33 3120 3138 3334 2e32 352c 2d37 3837 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module_src_gro\n+00026350: 6d61 6373 5f63 6f72 7265 6c61 7469 6f6e macs_correlation\n+00026360: 6675 6e63 7469 6f6e 7326 2334 353b 2667 functions-&g\n+00026370: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00026380: 6d61 6373 5f66 6674 202d 2d3e 0a3c 6720 macs_fft -->.<g \n+00026390: 6964 3d22 6564 6765 3235 3522 2063 6c61 id=\"edge255\" cla\n+000263a0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+000263b0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+000263c0: 6d61 6373 5f63 6f72 7265 6c61 7469 6f6e macs_correlation\n+000263d0: 6675 6e63 7469 6f6e 7326 2334 353b 2667 functions-&g\n+000263e0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000263f0: 6d61 6373 5f66 6674 3c2f 7469 746c 653e macs_fft</title>\n+00026400: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .<path fill=\"non\n+00026410: 6522 2073 7472 6f6b 653d 2223 3238 3266 e\" stroke=\"#282f\n+00026420: 6363 2220 643d 224d 3230 3436 2e30 322c cc\" d=\"M2046.02,\n+00026430: 2d38 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756c 655f ->module_\n+00026520: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n+00026530: 696f 202d 2d3e 0a3c 6720 6964 3d22 6564 io -->.<g id=\"ed\n+00026540: 6765 3235 3622 2063 6c61 7373 3d22 6564 ge256\" class=\"ed\n+00026550: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00026560: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n+00026570: 6f72 7265 6c61 7469 6f6e 6675 6e63 7469 orrelationfuncti\n+00026580: 6f6e 7326 2334 353b 2667 743b 6d6f 6475 ons->modu\n+00026590: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+000265a0: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70 ileio</title>.<p\n+000265b0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n+000265c0: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n+000265d0: 2064 3d22 4d32 3032 362e 3134 2c2d 3833 d=\"M2026.14,-83\n+000265e0: 332e 3338 4332 3034 362e 3934 2c2d 3830 3.38C2046.94,-80\n+000265f0: 372e 3533 2032 3038 382e 3539 2c2d 3734 7.53 2088.59,-74\n+00026600: 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756c 655f ->module_\n+000266f0: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n+00026700: 616e 646c 696e 6520 2d2d 3e0a 3c67 2069 andline -->.<g i\n+00026710: 643d 2265 6467 6532 3538 2220 636c 6173 d=\"edge258\" clas\n+00026720: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00026730: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00026740: 6163 735f 7075 6c6c 696e 6726 2334 353b acs_pulling-\n+00026750: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00026760: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n+00026770: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468 ne</title>.<path\n+00026780: 2066 696c 6c3d 226e 6f6e 6522 2073 7472 fill=\"none\" str\n+00026790: 6f6b 653d 2262 6c61 636b 2220 7374 726f oke=\"black\" stro\n+000267a0: 6b65 2d64 6173 6861 7272 6179 3d22 352c ke-dasharray=\"5,\n+000267b0: 3222 2064 3d22 4d31 3439 332e 3535 2c2d 2\" d=\"M1493.55,-\n+000267c0: 3334 372e 3643 3135 3437 2e36 342c 2d33 347.6C1547.64,-3\n+000267d0: 3533 2e32 3520 3136 3538 2e35 2c2d 3336 53.25 1658.5,-36\n+000267e0: 372e 3639 2031 3638 362e 3536 2c2d 3339 7.69 1686.56,-39\n+000267f0: 332e 3232 2031 3639 392e 3831 2c2d 3430 3.22 1699.81,-40\n+00026800: 352e 3238 2031 3734 302e 3836 2c2d 3439 5.28 1740.86,-49\n+00026810: 302e 3237 2031 3732 362e 3536 2c2d 3534 0.27 1726.56,-54\n+00026820: 352e 3833 2031 3731 312e 3035 2c2d 3630 5.83 1711.05,-60\n+00026830: 362e 3039 2031 3636 392e 3831 2c2d 3636 6.09 1669.81,-66\n+00026840: 372e 3832 2031 3634 362e 3734 2c2d 3639 7.82 1646.74,-69\n+00026850: 392e 3039 222f 3e0a 3c70 6f6c 7967 6f6e 9.09\"/>.<polygon\n+00026860: 2066 696c 6c3d 2262 6c61 636b 2220 7374 fill=\"black\" st\n+00026870: 726f 6b65 3d22 626c 6163 6b22 2070 6f69 roke=\"black\" poi\n+00026880: 6e74 733d 2231 3634 332e 3639 2c2d 3639 nts=\"1643.69,-69\n+00026890: 372e 3333 2031 3634 302e 3439 2c2d 3730 7.33 1640.49,-70\n+000268a0: 372e 3433 2031 3634 392e 3239 2c2d 3730 7.43 1649.29,-70\n+000268b0: 312e 3533 2031 3634 332e 3639 2c2d 3639 1.53 1643.69,-69\n+000268c0: 372e 3333 222f 3e0a 3c2f 673e 0a3c 212d 7.33\"/>.</g>.<!-\n+000268d0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+000268e0: 6d61 6373 5f70 756c 6c69 6e67 2623 3435 macs_pulling-\n+000268f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00026900: 6772 6f6d 6163 735f 6d64 7479 7065 7320 gromacs_mdtypes \n+00026910: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n+00026920: 3634 2220 636c 6173 733d 2265 6467 6522 64\" class=\"edge\"\n+00026930: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00026940: 7372 635f 6772 6f6d 6163 735f 7075 6c6c src_gromacs_pull\n+00026950: 696e 6726 2334 353b 2667 743b 6d6f 6475 ing->modu\n+00026960: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00026970: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes</title>.<\n+00026980: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00026990: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+000269a0: 2220 643d 224d 3134 3434 2e36 332c 2d33 \" d=\"M1444.63,-3\n+000269b0: 3534 2e37 4331 3432 382e 3835 2c2d 3336 54.7C1428.85,-36\n+000269c0: 332e 3532 2031 3430 362e 3333 2c2d 3337 3.52 1406.33,-37\n+000269d0: 372e 3433 2031 3338 392e 3536 2c2d 3339 7.43 1389.56,-39\n+000269e0: 332e 3232 2031 3337 382e 3732 2c2d 3430 3.22 1378.72,-40\n+000269f0: 332e 3433 2031 3338 322e 3232 2c2d 3431 3.43 1382.22,-41\n+00026a00: 322e 3235 2031 3336 392e 3536 2c2d 3432 2.25 1369.56,-42\n+00026a10: 302e 3039 2031 3239 322e 3738 2c2d 3436 0.09 1292.78,-46\n+00026a20: 372e 3635 2031 3234 332e 382c 2d34 3034 7.65 1243.8,-404\n+00026a30: 2e36 3520 3131 3639 2e35 362c 2d34 3536 .65 1169.56,-456\n+00026a40: 2e30 3920 3131 3538 2e31 342c 2d34 3634 .09 1158.14,-464\n+00026a50: 2e30 3120 3131 3632 2e33 382c 2d34 3732 .01 1162.38,-472\n+00026a60: 2e32 3220 3131 3533 2e35 362c 2d34 3832 .22 1153.56,-482\n+00026a70: 2e39 3620 3131 3338 2e33 382c 2d35 3031 .96 1138.38,-501\n+00026a80: 2e34 3420 3131 3237 2e39 372c 2d34 3939 .44 1127.97,-499\n+00026a90: 2e38 3720 3131 3133 2e35 362c 2d35 3138 .87 1113.56,-518\n+00026aa0: 2e39 3620 3130 3131 2e38 342c 2d36 3533 .96 1011.84,-653\n+00026ab0: 2e37 3220 3130 3531 2e33 312c 2d37 3237 .72 1051.31,-727\n+00026ac0: 2e37 3620 3934 362e 3536 2c2d 3836 302e .76 946.56,-860.\n+00026ad0: 3138 2039 3337 2e31 322c 2d38 3732 2e31 18 937.12,-872.1\n+00026ae0: 3120 3932 342e 3239 2c2d 3838 332e 3037 1 924.29,-883.07\n+00026af0: 2039 3133 2e30 312c 2d38 3931 2e35 3422 913.01,-891.54\"\n+00026b00: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+00026b10: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+00026b20: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n+00026b30: 7473 3d22 3931 302e 3831 2c2d 3838 382e ts=\"910.81,-888.\n+00026b40: 3831 2039 3034 2e37 362c 2d38 3937 2e35 81 904.76,-897.5\n+00026b50: 3120 3931 342e 3931 2c2d 3839 342e 3439 1 914.91,-894.49\n+00026b60: 2039 3130 2e38 312c 2d38 3838 2e38 3122 910.81,-888.81\"\n+00026b70: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00026b80: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00026b90: 7075 6c6c 696e 6726 2334 353b 2667 743b pulling->\n+00026ba0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00026bb0: 6373 5f64 6f6d 6465 6320 2d2d 3e0a 3c67 cs_domdec -->.<g\n+00026bc0: 2069 643d 2265 6467 6532 3539 2220 636c id=\"edge259\" cl\n+00026bd0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00026be0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00026bf0: 6f6d 6163 735f 7075 6c6c 696e 6726 2334 omacs_pulling\n+00026c00: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00026c10: 5f67 726f 6d61 6373 5f64 6f6d 6465 633c _gromacs_domdec<\n+00026c20: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00026c30: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00026c40: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00026c50: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+00026c60: 2220 643d 224d 3134 3334 2e38 362c 2d33 \" d=\"M1434.86,-3\n+00026c70: 3338 2e34 3443 3134 3138 2e33 392c 2d33 38.44C1418.39,-3\n+00026c80: 3335 2e39 3820 3133 3937 2e33 332c 2d33 35.98 1397.33,-3\n+00026c90: 3332 2e39 2031 3337 382e 3536 2c2d 3333 32.9 1378.56,-33\n+00026ca0: 302e 3335 2031 3235 312e 3137 2c2d 3331 0.35 1251.17,-31\n+00026cb0: 332e 3034 2031 3231 382e 3939 2c2d 3331 3.04 1218.99,-31\n+00026cc0: 312e 3334 2031 3039 312e 3536 2c2d 3239 1.34 1091.56,-29\n+00026cd0: 342e 3335 2031 3037 362e 3931 2c2d 3239 4.35 1076.91,-29\n+00026ce0: 322e 3420 3130 3630 2e39 312c 2d32 3930 2.4 1060.91,-290\n+00026cf0: 2e31 3720 3130 3436 2e36 322c 2d32 3838 .17 1046.62,-288\n+00026d00: 2e31 3422 2f3e 0a3c 706f 6c79 676f 6e20 .14\"/>.<polygon \n+00026d10: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+00026d20: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+00026d30: 706f 696e 7473 3d22 3130 3436 2e39 352c points=\"1046.95,\n+00026d40: 2d32 3834 2e36 3520 3130 3336 2e35 362c -284.65 1036.56,\n+00026d50: 2d32 3836 2e37 2031 3034 352e 3936 2c2d -286.7 1045.96,-\n+00026d60: 3239 312e 3538 2031 3034 362e 3935 2c2d 291.58 1046.95,-\n+00026d70: 3238 342e 3635 222f 3e0a 3c2f 673e 0a3c 284.65\"/>.</g>.<\n+00026d80: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00026d90: 726f 6d61 6373 5f70 756c 6c69 6e67 2623 romacs_pulling&#\n+00026da0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00026db0: 635f 6772 6f6d 6163 735f 6d64 6c69 6220 c_gromacs_mdlib \n+00026dc0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n+00026dd0: 3632 2220 636c 6173 733d 2265 6467 6522 62\" class=\"edge\"\n+00026de0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00026df0: 7372 635f 6772 6f6d 6163 735f 7075 6c6c src_gromacs_pull\n+00026e00: 696e 6726 2334 353b 2667 743b 6d6f 6475 ing->modu\n+00026e10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00026e20: 646c 6962 3c2f 7469 746c 653e 0a3c 7061 dlib</title>.<pa\n+00026e30: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n+00026e40: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n+00026e50: 643d 224d 3134 3539 2e39 312c 2d33 3330 d=\"M1459.91,-330\n+00026e60: 2e31 3743 3134 3534 2e31 392c 2d33 3132 .17C1454.19,-312\n+00026e70: 2e38 3620 3134 3431 2e33 322c 2d32 3832 .86 1441.32,-282\n+00026e80: 2e32 2031 3431 382e 3536 2c2d 3236 372e .2 1418.56,-267.\n+00026e90: 3438 2031 3335 362e 3833 2c2d 3232 372e 48 1356.83,-227.\n+00026ea0: 3535 2031 3133 322e 3632 2c2d 3232 302e 55 1132.62,-220.\n+00026eb0: 3439 2031 3034 312e 3938 2c2d 3231 392e 49 1041.98,-219.\n+00026ec0: 3238 222f 3e0a 3c70 6f6c 7967 6f6e 2066 28\"/>.<polygon f\n+00026ed0: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+00026ee0: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n+00026ef0: 6f69 6e74 733d 2231 3034 312e 392c 2d32 oints=\"1041.9,-2\n+00026f00: 3135 2e37 3820 3130 3331 2e38 362c 2d32 15.78 1031.86,-2\n+00026f10: 3139 2e31 3620 3130 3431 2e38 322c 2d32 19.16 1041.82,-2\n+00026f20: 3232 2e37 3720 3130 3431 2e39 2c2d 3231 22.77 1041.9,-21\n+00026f30: 352e 3738 222f 3e0a 3c2f 673e 0a3c 212d 5.78\"/>.</g>.<!-\n+00026f40: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00026f50: 6d61 6373 5f70 756c 6c69 6e67 2623 3435 macs_pulling-\n+00026f60: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00026f70: 6772 6f6d 6163 735f 676d 786c 6962 202d gromacs_gmxlib -\n+00026f80: 2d3e 0a3c 6720 6964 3d22 6564 6765 3236 ->.<g id=\"edge26\n+00026f90: 3122 2063 6c61 7373 3d22 6564 6765 223e 1\" class=\"edge\">\n+00026fa0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00026fb0: 7263 5f67 726f 6d61 6373 5f70 756c 6c69 rc_gromacs_pulli\n+00026fc0: 6e67 2623 3435 3b26 6774 3b6d 6f64 756c ng->modul\n+00026fd0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00026fe0: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib</title>.<pa\n+00026ff0: 7468 2066 696c 6c3d 226e 6f6e 6522 2073 th fill=\"none\" s\n+00027000: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n+00027010: 643d 224d 3134 3731 2e32 392c 2d33 3536 d=\"M1471.29,-356\n+00027020: 2e38 3543 3134 3830 2e35 352c 2d33 3732 .85C1480.55,-372\n+00027030: 2e39 3820 3134 3933 2e30 392c 2d34 3031 .98 1493.09,-401\n+00027040: 2e36 3720 3134 3738 2e35 362c 2d34 3230 .67 1478.56,-420\n+00027050: 2e30 3920 3134 3336 2e31 312c 2d34 3733 .09 1436.11,-473\n+00027060: 2e39 3320 3133 3739 2e35 342c 2d34 3130 .93 1379.54,-410\n+00027070: 2e32 3520 3133 3238 2e35 362c 2d34 3536 .25 1328.56,-456\n+00027080: 2e30 3920 3133 3034 2e31 352c 2d34 3738 .09 1304.15,-478\n+00027090: 2e30 3420 3132 3532 2e32 312c 2d37 3130 .04 1252.21,-710\n+000270a0: 2e36 3820 3132 3239 2e35 362c 2d37 3334 .68 1229.56,-734\n+000270b0: 2e34 3420 3132 3038 2e34 352c 2d37 3536 .44 1208.45,-756\n+000270c0: 2e35 3920 3131 3735 2e37 362c 2d37 3638 .59 1175.76,-768\n+000270d0: 2e39 3320 3131 3530 2e31 332c 2d37 3735 .93 1150.13,-775\n+000270e0: 2e36 3122 2f3e 0a3c 706f 6c79 676f 6e20 .61\"/>.<polygon \n+000270f0: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n+00027100: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n+00027110: 706f 696e 7473 3d22 3131 3439 2e32 342c points=\"1149.24,\n+00027120: 2d37 3732 2e32 3320 3131 3430 2e33 342c -772.23 1140.34,\n+00027130: 2d37 3737 2e39 3820 3131 3530 2e38 392c -777.98 1150.89,\n+00027140: 2d37 3739 2e30 3320 3131 3439 2e32 342c -779.03 1149.24,\n+00027150: 2d37 3732 2e32 3322 2f3e 0a3c 2f67 3e0a -772.23\"/>.</g>.\n+00027160: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00027170: 6772 6f6d 6163 735f 7075 6c6c 696e 6726 gromacs_pulling&\n+00027180: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00027190: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n+000271a0: 6f20 2d2d 3e0a 3c67 2069 643d 2265 6467 o -->.<g id=\"edg\n+000271b0: 6532 3630 2220 636c 6173 733d 2265 6467 e260\" class=\"edg\n+000271c0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+000271d0: 655f 7372 635f 6772 6f6d 6163 735f 7075 e_src_gromacs_pu\n+000271e0: 6c6c 696e 6726 2334 353b 2667 743b 6d6f lling->mo\n+000271f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00027200: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a _fileio</title>.\n+00027210: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 <path fill=\"none\n+00027220: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+00027230: 6622 2064 3d22 4d31 3439 342e 3436 2c2d f\" d=\"M1494.46,-\n+00027240: 3334 352e 3937 4331 3536 342e 3638 2c2d 345.97C1564.68,-\n+00027250: 3334 392e 3231 2031 3733 332e 3636 2c2d 349.21 1733.66,-\n+00027260: 3336 302e 3320 3137 3738 2e35 362c 2d33 360.3 1778.56,-3\n+00027270: 3933 2e32 3220 3138 3538 2e35 352c 2d34 93.22 1858.55,-4\n+00027280: 3531 2e38 3620 3138 3736 2e34 332c 2d35 51.86 1876.43,-5\n+00027290: 3831 2e38 3820 3138 3830 2e34 322c 2d36 81.88 1880.42,-6\n+000272a0: 3334 2e34 3322 2f3e 0a3c 706f 6c79 676f 34.43\"/>.<polygo\n+000272b0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+000272c0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+000272d0: 2220 706f 696e 7473 3d22 3138 3736 2e39 \" points=\"1876.9\n+000272e0: 332c 2d36 3334 2e36 3720 3138 3831 2e30 3,-634.67 1881.0\n+000272f0: 382c 2d36 3434 2e34 3220 3138 3833 2e39 8,-644.42 1883.9\n+00027300: 312c 2d36 3334 2e32 3120 3138 3736 2e39 1,-634.21 1876.9\n+00027310: 332c 2d36 3334 2e36 3722 2f3e 0a3c 2f67 3,-634.67\"/>.</g\n+00027320: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00027330: 635f 6772 6f6d 6163 735f 7075 6c6c 696e c_gromacs_pullin\n+00027340: 6726 2334 353b 2667 743b 6d6f 6475 6c65 g->module\n+00027350: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+00027360: 756e 7574 696c 6974 7920 2d2d 3e0a 3c67 unutility -->.<g\n+00027370: 2069 643d 2265 6467 6532 3633 2220 636c id=\"edge263\" cl\n+00027380: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00027390: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+000273a0: 6f6d 6163 735f 7075 6c6c 696e 6726 2334 omacs_pulling\n+000273b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000273c0: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n+000273d0: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility</title>.<p\n+000273e0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n+000273f0: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n+00027400: 2073 7472 6f6b 652d 6461 7368 6172 7261 stroke-dasharra\n+00027410: 793d 2235 2c32 2220 643d 224d 3134 3934 y=\"5,2\" d=\"M1494\n+00027420: 2e31 312c 2d33 3437 2e30 3943 3135 3437 .11,-347.09C1547\n+00027430: 2e38 362c 2d33 3531 2e38 3420 3136 3535 .86,-351.84 1655\n+00027440: 2e38 2c2d 3336 342e 3736 2031 3637 382e .8,-364.76 1678.\n+00027450: 3536 2c2d 3339 332e 3232 2031 3639 322e 56,-393.22 1692.\n+00027460: 3337 2c2d 3431 302e 3439 2031 3638 322e 37,-410.49 1682.\n+00027470: 3139 2c2d 3437 342e 3337 2031 3637 352e 19,-474.37 1675.\n+00027480: 3337 2c2d 3530 382e 3839 222f 3e0a 3c70 37,-508.89\"/>.<p\n+00027490: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n+000274a0: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n+000274b0: 3832 6663 6322 2070 6f69 6e74 733d 2231 82fcc\" points=\"1\n+000274c0: 3637 312e 3838 2c2d 3530 382e 3438 2031 671.88,-508.48 1\n+000274d0: 3637 332e 3331 2c2d 3531 382e 3938 2031 673.31,-518.98 1\n+000274e0: 3637 382e 3734 2c2d 3530 392e 3838 2031 678.74,-509.88 1\n+000274f0: 3637 312e 3838 2c2d 3530 382e 3438 222f 671.88,-508.48\"/\n+00027500: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00027510: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+00027520: 7070 6c69 6564 5f66 6f72 6365 735f 6177 pplied_forces_aw\n+00027530: 6826 2334 353b 2667 743b 6d6f 6475 6c65 h->module\n+00027540: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+00027550: 7970 6573 202d 2d3e 0a3c 6720 6964 3d22 ypes -->.<g id=\"\n+00027560: 6564 6765 3237 3022 2063 6c61 7373 3d22 edge270\" class=\"\n+00027570: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00027580: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00027590: 5f61 7070 6c69 6564 5f66 6f72 6365 735f _applied_forces_\n+000275a0: 6177 6826 2334 353b 2667 743b 6d6f 6475 awh->modu\n+000275b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+000275c0: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes</title>.<\n+000275d0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000275e0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+000275f0: 2220 643d 224d 3139 3631 2e32 372c 2d35 \" d=\"M1961.27,-5\n+00027600: 3938 2e33 3443 3139 3039 2e35 2c2d 3630 98.34C1909.5,-60\n+00027610: 322e 3634 2031 3739 322e 3035 2c2d 3631 2.64 1792.05,-61\n+00027620: 342e 3734 2031 3639 372e 3536 2c2d 3634 4.74 1697.56,-64\n+00027630: 342e 3720 3135 3737 2e34 392c 2d36 3832 4.7 1577.49,-682\n+00027640: 2e37 3720 3135 3439 2e32 362c 2d37 3031 .77 1549.26,-701\n+00027650: 2e39 3220 3134 3433 2e35 362c 2d37 3730 .92 1443.56,-770\n+00027660: 2e34 3420 3133 3930 2e36 322c 2d38 3034 .44 1390.62,-804\n+00027670: 2e37 3620 3133 3931 2e37 342c 2d38 3335 .76 1391.74,-835\n+00027680: 2e37 3620 3133 3333 2e35 362c 2d38 3630 .76 1333.56,-860\n+00027690: 2e31 3820 3132 3633 2e31 322c 2d38 3839 .18 1263.12,-889\n+000276a0: 2e37 3420 3130 3335 2e36 362c 2d39 3032 .74 1035.66,-902\n+000276b0: 2e36 3920 3933 352e 352c 2d39 3036 2e39 .69 935.5,-906.9\n+000276c0: 3322 2f3e 0a3c 706f 6c79 676f 6e20 6669 3\"/>.<polygon fi\n+000276d0: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+000276e0: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n+000276f0: 696e 7473 3d22 3933 352e 322c 2d39 3033 ints=\"935.2,-903\n+00027700: 2e34 3420 3932 352e 3336 2c2d 3930 372e .44 925.36,-907.\n+00027710: 3335 2039 3335 2e34 392c 2d39 3130 2e34 35 935.49,-910.4\n+00027720: 3320 3933 352e 322c 2d39 3033 2e34 3422 3 935.2,-903.44\"\n+00027730: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00027740: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00027750: 6170 706c 6965 645f 666f 7263 6573 5f61 applied_forces_a\n+00027760: 7768 2623 3435 3b26 6774 3b6d 6f64 756c wh->modul\n+00027770: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00027780: 7370 616e 202d 2d3e 0a3c 6720 6964 3d22 span -->.<g id=\"\n+00027790: 6564 6765 3237 3622 2063 6c61 7373 3d22 edge276\" class=\"\n+000277a0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+000277b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000277c0: 5f61 7070 6c69 6564 5f66 6f72 6365 735f _applied_forces_\n+000277d0: 6177 6826 2334 353b 2667 743b 6d6f 6475 awh->modu\n+000277e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+000277f0: 6473 7061 6e3c 2f74 6974 6c65 3e0a 3c70 dspan</title>.<p\n+00027800: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n+00027810: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n+00027820: 2073 7472 6f6b 652d 6461 7368 6172 7261 stroke-dasharra\n+00027830: 793d 2235 2c32 2220 643d 224d 3139 3930 y=\"5,2\" d=\"M1990\n+00027840: 2e39 322c 2d35 3831 2e36 4332 3030 382e .92,-581.6C2008.\n+00027850: 3137 2c2d 3531 352e 3238 2032 3038 332e 17,-515.28 2083.\n+00027860: 3736 2c2d 3230 382e 3433 2032 3032 332e 76,-208.43 2023.\n+00027870: 3536 2c2d 3134 312e 3734 2031 3935 322e 56,-141.74 1952.\n+00027880: 3735 2c2d 3633 2e33 3120 3131 3831 2e31 75,-63.31 1181.1\n+00027890: 382c 2d33 372e 3036 2039 3833 2e34 392c 8,-37.06 983.49,\n+000278a0: 2d33 312e 3622 2f3e 0a3c 706f 6c79 676f -31.6\"/>.<polygo\n+000278b0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n+000278c0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+000278d0: 2220 706f 696e 7473 3d22 3938 332e 3533 \" points=\"983.53\n+000278e0: 2c2d 3238 2e31 2039 3733 2e34 342c 2d33 ,-28.1 973.44,-3\n+000278f0: 312e 3332 2039 3833 2e33 342c 2d33 352e 1.32 983.34,-35.\n+00027900: 3039 2039 3833 2e35 332c 2d32 382e 3122 09 983.53,-28.1\"\n+00027910: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00027920: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00027930: 6170 706c 6965 645f 666f 7263 6573 5f61 applied_forces_a\n+00027940: 7768 2623 3435 3b26 6774 3b6d 6f64 756c wh->modul\n+00027950: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00027960: 786c 6962 202d 2d3e 0a3c 6720 6964 3d22 xlib -->.<g id=\"\n+00027970: 6564 6765 3237 3322 2063 6c61 7373 3d22 edge273\" class=\"\n+00027980: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00027990: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000279a0: 5f61 7070 6c69 6564 5f66 6f72 6365 735f _applied_forces_\n+000279b0: 6177 6826 2334 353b 2667 743b 6d6f 6475 awh->modu\n+000279c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+000279d0: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib</title>.<p\n+000279e0: 6174 6820 6669 6c6c 3d22 6e6f 6e65 2220 ath fill=\"none\" \n+000279f0: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n+00027a00: 2064 3d22 4d31 3936 302e 3535 2c2d 3539 d=\"M1960.55,-59\n+00027a10: 362e 3138 4331 3836 342e 352c 2d35 3936 6.18C1864.5,-596\n+00027a20: 2e32 3720 3135 3430 2e32 382c 2d35 3939 .27 1540.28,-599\n+00027a30: 2e39 3420 3134 3438 2e35 362c 2d36 3434 .94 1448.56,-644\n+00027a40: 2e37 2031 3339 392e 3436 2c2d 3636 382e .7 1399.46,-668.\n+00027a50: 3636 2031 3431 322e 342c 2d37 3038 2e30 66 1412.4,-708.0\n+00027a60: 3720 3133 3634 2e35 362c 2d37 3334 2e34 7 1364.56,-734.4\n+00027a70: 3420 3132 3937 2e33 322c 2d37 3731 2e35 4 1297.32,-771.5\n+00027a80: 2031 3230 362e 3439 2c2d 3738 302e 3634 1206.49,-780.64\n+00027a90: 2031 3135 332e 3934 2c2d 3738 322e 3634 1153.94,-782.64\n+00027aa0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+00027ab0: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n+00027ac0: 6b65 3d22 2362 6662 6662 6622 2070 6f69 ke=\"#bfbfbf\" poi\n+00027ad0: 6e74 733d 2231 3135 332e 3534 2c2d 3737 nts=\"1153.54,-77\n+00027ae0: 392e 3135 2031 3134 332e 3635 2c2d 3738 9.15 1143.65,-78\n+00027af0: 322e 3935 2031 3135 332e 3735 2c2d 3738 2.95 1153.75,-78\n+00027b00: 362e 3134 2031 3135 332e 3534 2c2d 3737 6.14 1153.54,-77\n+00027b10: 392e 3135 222f 3e0a 3c2f 673e 0a3c 212d 9.15\"/>.</g>.<!-\n+00027b20: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00027b30: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n+00027b40: 6365 735f 6177 6826 2334 353b 2667 743b ces_awh->\n+00027b50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00027b60: 6373 5f66 696c 6569 6f20 2d2d 3e0a 3c67 cs_fileio -->.<g\n+00027b70: 2069 643d 2265 6467 6532 3731 2220 636c id=\"edge271\" cl\n+00027b80: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00027b90: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00027ba0: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n+00027bb0: 7263 6573 5f61 7768 2623 3435 3b26 6774 rces_awh->\n+00027bc0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00027bd0: 6163 735f 6669 6c65 696f 3c2f 7469 746c acs_fileio</titl\n+00027be0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00027bf0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00027c00: 6266 6266 2220 643d 224d 3139 3733 2e39 bfbf\" d=\"M1973.9\n+00027c10: 372c 2d36 3037 2e31 3243 3139 3537 2e38 7,-607.12C1957.8\n+00027c20: 2c2d 3631 372e 3433 2031 3933 302e 392c ,-617.43 1930.9,\n+00027c30: 2d36 3332 2e39 3520 3139 3130 2e31 372c -632.95 1910.17,\n+00027c40: 2d36 3433 2e39 3622 2f3e 0a3c 706f 6c79 -643.96\"/>.<poly\n+00027c50: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n+00027c60: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n+00027c70: 6266 2220 706f 696e 7473 3d22 3139 3038 bf\" points=\"1908\n+00027c80: 2e33 392c 2d36 3430 2e39 3420 3139 3031 .39,-640.94 1901\n+00027c90: 2e31 342c 2d36 3438 2e36 3720 3139 3131 .14,-648.67 1911\n+00027ca0: 2e36 332c 2d36 3437 2e31 3520 3139 3038 .63,-647.15 1908\n+00027cb0: 2e33 392c 2d36 3430 2e39 3422 2f3e 0a3c .39,-640.94\"/>.<\n+00027cc0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+00027cd0: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n+00027ce0: 6965 645f 666f 7263 6573 5f61 7768 2623 ied_forces_awh&#\n+00027cf0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00027d00: 635f 6772 6f6d 6163 735f 7472 616a 6563 c_gromacs_trajec\n+00027d10: 746f 7279 202d 2d3e 0a3c 6720 6964 3d22 tory -->.<g id=\"\n+00027d20: 6564 6765 3237 3522 2063 6c61 7373 3d22 edge275\" class=\"\n+00027d30: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00027d40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00027d50: 5f61 7070 6c69 6564 5f66 6f72 6365 735f _applied_forces_\n+00027d60: 6177 6826 2334 353b 2667 743b 6d6f 6475 awh->modu\n+00027d70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00027d80: 7261 6a65 6374 6f72 793c 2f74 6974 6c65 rajectory</title\n+00027d90: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00027da0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00027db0: 6662 6622 2064 3d22 4d31 3939 342e 3635 fbf\" d=\"M1994.65\n+00027dc0: 2c2d 3538 312e 3835 4332 3031 322e 3837 ,-581.85C2012.87\n+00027dd0: 2c2d 3535 302e 3037 2032 3036 332e 3135 ,-550.07 2063.15\n+00027de0: 2c2d 3436 332e 3331 2032 3130 382e 3536 ,-463.31 2108.56\n+00027df0: 2c2d 3339 332e 3232 2032 3136 312e 3534 ,-393.22 2161.54\n+00027e00: 2c2d 3331 312e 3436 2032 3232 392e 3135 ,-311.46 2229.15\n+00027e10: 2c2d 3231 372e 3235 2032 3235 382e 3636 ,-217.25 2258.66\n+00027e20: 2c2d 3137 362e 3622 2f3e 0a3c 706f 6c79 ,-176.6\"/>.<poly\n+00027e30: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n+00027e40: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n+00027e50: 6266 2220 706f 696e 7473 3d22 3232 3631 bf\" points=\"2261\n+00027e60: 2e36 332c 2d31 3738 2e34 3620 3232 3634 .63,-178.46 2264\n+00027e70: 2e36 382c 2d31 3638 2e33 3220 3232 3535 .68,-168.32 2255\n+00027e80: 2e39 372c 2d31 3734 2e33 3520 3232 3631 .97,-174.35 2261\n+00027e90: 2e36 332c 2d31 3738 2e34 3622 2f3e 0a3c .63,-178.46\"/>.<\n+00027ea0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+00027eb0: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n+00027ec0: 6965 645f 666f 7263 6573 5f61 7768 2623 ied_forces_awh&#\n+00027ed0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00027ee0: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n+00027ef0: 7469 6c69 7479 202d 2d3e 0a3c 6720 6964 tility -->.<g id\n+00027f00: 3d22 6564 6765 3237 3422 2063 6c61 7373 =\"edge274\" class\n+00027f10: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+00027f20: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00027f30: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n+00027f40: 735f 6177 6826 2334 353b 2667 743b 6d6f s_awh->mo\n+00027f50: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00027f60: 5f6d 6472 756e 7574 696c 6974 793c 2f74 _mdrunutility</t\n+00027f70: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00027f80: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00027f90: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00027fa0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00027fb0: 643d 224d 3139 3632 2e39 352c 2d35 3839 d=\"M1962.95,-589\n+00027fc0: 2e35 3443 3139 3130 2e34 342c 2d35 3739 .54C1910.44,-579\n+00027fd0: 2e34 3620 3137 3836 2e36 342c 2d35 3535 .46 1786.64,-555\n+00027fe0: 2e36 3820 3137 3138 2e31 372c 2d35 3432 .68 1718.17,-542\n+00027ff0: 2e35 3422 2f3e 0a3c 706f 6c79 676f 6e20 .54\"/>.<polygon \n+00028000: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+00028010: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+00028020: 706f 696e 7473 3d22 3137 3138 2e35 362c points=\"1718.56,\n+00028030: 2d35 3339 2e30 3520 3137 3038 2e30 382c -539.05 1708.08,\n+00028040: 2d35 3430 2e36 2031 3731 372e 3234 2c2d -540.6 1717.24,-\n+00028050: 3534 352e 3932 2031 3731 382e 3536 2c2d 545.92 1718.56,-\n+00028060: 3533 392e 3035 222f 3e0a 3c2f 673e 0a3c 539.05\"/>.</g>.<\n+00028070: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00028080: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+00028090: 6f72 6365 735f 6177 6826 2334 353b 2667 orces_awh-&g\n+000280a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000280b0: 6d61 6373 5f72 616e 646f 6d20 2d2d 3e0a macs_random -->.\n+000280c0: 3c67 2069 643d 2265 6467 6532 3732 2220 <g id=\"edge272\" \n+000280d0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+000280e0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+000280f0: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+00028100: 666f 7263 6573 5f61 7768 2623 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For documented modules (those that do not have a gray background), clicking on the module takes you to the module documentation. Legend for the graph can be found below the graph.</p>\n <div class=\"dotgraph\">\n-<iframe scrolling=\"no\" frameborder=\"0\" src=\"dot_module-deps.svg\" width=\"3776\" height=\"1880\"><p><b>This browser is not able to show SVG: try Firefox, Chrome, Safari, or Opera instead.</b></p></iframe></div>\n+<iframe scrolling=\"no\" frameborder=\"0\" src=\"dot_module-deps.svg\" width=\"4152\" height=\"1546\"><p><b>This browser is not able to show SVG: try Firefox, Chrome, Safari, or Opera instead.</b></p></iframe></div>\n <h1><a class=\"anchor\" id=\"autotoc_md49\"></a>\n Legend</h1>\n <p>The graph below annotates the colors and line styles used in the module dependency graph above. More detailed textual annotation is below the graph.</p>\n <div class=\"dotgraph\">\n <iframe scrolling=\"no\" frameborder=\"0\" src=\"dot_inline_dotgraph_2.svg\" width=\"440\" height=\"407\"><p><b>This browser is not able to show SVG: try Firefox, Chrome, Safari, or Opera instead.</b></p></iframe></div>\n <p>Node colors: </p><dl>\n <dt>gray background </dt>\n"}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_10.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_10.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -133,16 +133,16 @@\n ['makeunperturbedlj14params_97', ['makeUnperturbedLJ14Params', ['../namespacegmx_1_1test_1_1anonymous__namespace_02topsort_8cpp_03.xhtml#a2808faea96c2b64e53ffd7a46782d459', 1, 'gmx::test::anonymous_namespace{topsort.cpp}']]],\n ['makeupdategroupingspermoleculetype_98', ['makeupdategroupingspermoleculetype', 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['pairlist_2ecpp_4', ['pairlist.cpp', ['../tests_2pairlist_8cpp.xhtml', 1, '']]],\n ['pairlist_5fimask_2eh_5', ['pairlist_imask.h', ['../pairlist__imask_8h.xhtml', 1, '']]],\n ['pairlist_5fsimd_5fkernel_2ecpp_6', ['pairlist_simd_kernel.cpp', ['../pairlist__simd__kernel_8cpp.xhtml', 1, '']]],\n ['pairlist_5fsimd_5fkernel_2eh_7', ['pairlist_simd_kernel.h', ['../pairlist__simd__kernel_8h.xhtml', 1, '']]],\n ['pairlist_5ftuning_2ecpp_8', ['pairlist_tuning.cpp', ['../pairlist__tuning_8cpp.xhtml', 1, '']]],\n@@ -31,27 +31,27 @@\n ['parrinellorahmanbarostat_2ecpp_25', ['parrinellorahmanbarostat.cpp', ['../parrinellorahmanbarostat_8cpp.xhtml', 1, '']]],\n ['parrinellorahmanbarostat_2eh_26', ['parrinellorahmanbarostat.h', ['../parrinellorahmanbarostat_8h.xhtml', 1, '']]],\n ['parser_5finternal_2eh_27', ['parser_internal.h', ['../parser__internal_8h.xhtml', 1, '']]],\n ['parsetree_2ecpp_28', ['parsetree.cpp', ['../parsetree_8cpp.xhtml', 1, '']]],\n ['parsetree_2eh_29', ['parsetree.h', ['../parsetree_8h.xhtml', 1, '']]],\n ['partition_2ecpp_30', ['partition.cpp', ['../partition_8cpp.xhtml', 1, '']]],\n ['partition_2eh_31', ['partition.h', ['../partition_8h.xhtml', 1, '']]],\n- ['path_2ecpp_32', ['path.cpp', ['../path_8cpp.xhtml', 1, '(Global Namespace)'],\n- ['../tests_2path_8cpp.xhtml', 1, '(Global Namespace)']\n+ ['path_2ecpp_32', ['path.cpp', ['../tests_2path_8cpp.xhtml', 1, '(Global Namespace)'],\n+ ['../path_8cpp.xhtml', 1, '(Global Namespace)']\n ]],\n ['path_2eh_33', ['path.h', ['../path_8h.xhtml', 1, '']]],\n ['pbc_2ecpp_34', ['pbc.cpp', ['../tests_2pbc_8cpp.xhtml', 1, '(Global Namespace)'],\n ['../pbc_8cpp.xhtml', 1, '(Global Namespace)']\n ]],\n ['pbc_5faiuc_2eh_35', ['pbc_aiuc.h', ['../pbc__aiuc_8h.xhtml', 1, '']]],\n ['pbc_5faiuc_5fsycl_2eh_36', ['pbc_aiuc_sycl.h', ['../pbc__aiuc__sycl_8h.xhtml', 1, '']]],\n ['pbc_5fsimd_2ecpp_37', ['pbc_simd.cpp', ['../pbc__simd_8cpp.xhtml', 1, '']]],\n ['pbc_5fsimd_2eh_38', ['pbc_simd.h', ['../pbc__simd_8h.xhtml', 1, 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['../plumedOptions_8h.xhtml', 1, '']]],\n ['plumedtestutils_2ecpp_61', ['plumedTestUtils.cpp', ['../plumedTestUtils_8cpp.xhtml', 1, '']]],\n ['plumedtestutils_2eh_62', ['plumedTestUtils.h', ['../plumedTestUtils_8h.xhtml', 1, '']]],\n ['pmalloc_2ecpp_63', ['pmalloc.cpp', ['../pmalloc_8cpp.xhtml', 1, '']]],\n ['pmalloc_2eh_64', ['pmalloc.h', ['../pmalloc_8h.xhtml', 1, '']]],\n ['pmalloc_5fhip_2ecpp_65', ['pmalloc_hip.cpp', ['../pmalloc__hip_8cpp.xhtml', 1, '']]],\n ['pmalloc_5fsycl_2ecpp_66', ['pmalloc_sycl.cpp', ['../pmalloc__sycl_8cpp.xhtml', 1, '']]],\n- ['pme_2ecpp_67', ['pme.cpp', ['../tests_2pme_8cpp.xhtml', 1, '(Global Namespace)'],\n- ['../pme_8cpp.xhtml', 1, '(Global Namespace)']\n+ ['pme_2ecpp_67', ['pme.cpp', ['../pme_8cpp.xhtml', 1, '(Global Namespace)'],\n+ ['../tests_2pme_8cpp.xhtml', 1, '(Global Namespace)']\n ]],\n ['pme_2eh_68', ['pme.h', ['../pme_8h.xhtml', 1, '']]],\n ['pme_5fcoordinate_5freceiver_5fgpu_2eh_69', ['pme_coordinate_receiver_gpu.h', 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['../propagator_8cpp.xhtml', 1, '']]],\n ['propagator_2eh_148', ['propagator.h', ['../propagator_8h.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_f.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/files_f.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -1,14 +1,14 @@\n var searchData = [\n ['qmmm_2ecpp_0', ['qmmm.cpp', ['../tests_2qmmm_8cpp.xhtml', 1, '(Global Namespace)'],\n ['../qmmm_8cpp.xhtml', 1, '(Global Namespace)']\n ]],\n ['qmmm_2eh_1', ['qmmm.h', ['../qmmm_8h.xhtml', 1, '']]],\n- ['qmmmforceprovider_2ecpp_2', ['qmmmforceprovider.cpp', ['../tests_2qmmmforceprovider_8cpp.xhtml', 1, '(Global Namespace)'],\n- ['../qmmmforceprovider_8cpp.xhtml', 1, '(Global Namespace)']\n+ ['qmmmforceprovider_2ecpp_2', ['qmmmforceprovider.cpp', ['../qmmmforceprovider_8cpp.xhtml', 1, '(Global Namespace)'],\n+ ['../tests_2qmmmforceprovider_8cpp.xhtml', 1, '(Global Namespace)']\n ]],\n ['qmmmforceprovider_2eh_3', ['qmmmforceprovider.h', ['../qmmmforceprovider_8h.xhtml', 1, '']]],\n ['qmmmforceprovider_5fstub_2ecpp_4', ['qmmmforceprovider_stub.cpp', ['../qmmmforceprovider__stub_8cpp.xhtml', 1, '']]],\n ['qmmminputgenerator_2ecpp_5', ['qmmminputgenerator.cpp', ['../qmmminputgenerator_8cpp.xhtml', 1, '(Global Namespace)'],\n ['../tests_2qmmminputgenerator_8cpp.xhtml', 1, '(Global Namespace)']\n ]],\n ['qmmminputgenerator_2eh_6', ['qmmminputgenerator.h', ['../qmmminputgenerator_8h.xhtml', 1, '']]],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/todo.xhtml", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/todo.xhtml", "unified_diff": "@@ -477,15 +477,15 @@\n <dd><p class=\"startdd\"><a class=\"anchor\" id=\"_todo000270\"></a>Eventually t_trxframe should be replaced by a class such as this. 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Find a way to improve this. </dd>\n <dt>Struct <a class=\"el\" href=\"structgmx__multisim__t.xhtml\">gmx_multisim_t</a> </dt>\n <dd><a class=\"anchor\" id=\"_todo000152\"></a>Change this to class </dd>\n-<dt>Member <a class=\"el\" href=\"pme_8cpp.xhtml#a39e800d9a258e0c8a553fa7b71e10dcf\">gmx_pme_init</a> (const t_commrec *cr, const <a class=\"el\" href=\"structNumPmeDomains.xhtml\" title=\"Struct for passing around the number of PME domains.\">NumPmeDomains</a> &numPmeDomains, const t_inputrec *ir, const matrix box, real haloExtentForAtomDisplacement, gmx_bool bFreeEnergy_q, gmx_bool bFreeEnergy_lj, gmx_bool bReproducible, real ewaldcoeff_q, real ewaldcoeff_lj, int nthread, PmeRunMode runMode, <a class=\"el\" href=\"structPmeGpu.xhtml\" title=\"The main PME GPU host structure, included in the PME CPU structure by pointer.\">PmeGpu</a> *pmeGpu, const DeviceContext *deviceContext, const <a class=\"el\" href=\"classDeviceStream.xhtml\" title=\"Declaration of platform-agnostic device stream/queue.\">DeviceStream</a> *deviceStream, const <a class=\"el\" href=\"classPmeGpuProgram.xhtml\" title=\"Stores PME data derived from the GPU context or devices.\">PmeGpuProgram</a> *pmeGpuProgram, const <a class=\"el\" href=\"classgmx_1_1MDLogger.xhtml\" title=\"Declares a logging interface.\">gmx::MDLogger</a> &mdlog, std::shared_ptr< PmeGridsStorage > pmeGridsStoragePtr)</dt>\n+<dt>Member <a class=\"el\" href=\"pme_8h.xhtml#a39e800d9a258e0c8a553fa7b71e10dcf\">gmx_pme_init</a> (const t_commrec *cr, const <a class=\"el\" href=\"structNumPmeDomains.xhtml\" title=\"Struct for passing around the number of PME domains.\">NumPmeDomains</a> &numPmeDomains, const t_inputrec *ir, const matrix box, real haloExtentForAtomDisplacement, gmx_bool bFreeEnergy_q, gmx_bool bFreeEnergy_lj, gmx_bool bReproducible, real ewaldcoeff_q, real ewaldcoeff_lj, int nthread, PmeRunMode runMode, <a class=\"el\" href=\"structPmeGpu.xhtml\" title=\"The main PME GPU host structure, included in the PME CPU structure by pointer.\">PmeGpu</a> *pmeGpu, const DeviceContext *deviceContext, const <a class=\"el\" href=\"classDeviceStream.xhtml\" title=\"Declaration of platform-agnostic device stream/queue.\">DeviceStream</a> *deviceStream, const <a class=\"el\" href=\"classPmeGpuProgram.xhtml\" title=\"Stores PME data derived from the GPU context or devices.\">PmeGpuProgram</a> *pmeGpuProgram, const <a class=\"el\" href=\"classgmx_1_1MDLogger.xhtml\" title=\"Declares a logging interface.\">gmx::MDLogger</a> &mdlog, std::shared_ptr< PmeGridsStorage > pmeGridsStoragePtr)</dt>\n <dd><a class=\"anchor\" id=\"_todo000024\"></a>We should evolve something like a <code>GpuManager</code> that holds <code>DeviceInformation*</code> and <code>PmeGpuProgram*</code> and perhaps other related things whose lifetime can/should exceed that of a task (or perhaps task manager). See Issue #2522. </dd>\n <dt>Member <a class=\"el\" href=\"group__module__utility.xhtml#ga33e34477bae2bbb86c4d9af1823e3fd0\">GMX_UNUSED_VALUE</a> (value)</dt>\n <dd><a class=\"anchor\" id=\"_todo000275\"></a>Deprecated - use gmx_unused </dd>\n <dt>File <a class=\"el\" href=\"programs_2mdrun_2tests_2grompp_8cpp.xhtml\">grompp.cpp</a> </dt>\n <dd><a class=\"anchor\" id=\"_todo000233\"></a>Refactor SimulationRunner to split off SimulationPreparer, so that integration tests of grompp can stand apart from tests of mdrun. </dd>\n <dt>File <a class=\"el\" href=\"haloexchange__mpi_8cpp.xhtml\">haloexchange_mpi.cpp</a> </dt>\n <dd><a class=\"anchor\" id=\"_todo000020\"></a>Add 3D case </dd>\n@@ -565,15 +565,15 @@\n <dd><a class=\"anchor\" id=\"_todo000032\"></a>Some renaming/refactoring, which does not impair the performance: – <a class=\"el\" href=\"structPmeGpuSettings.xhtml\" title=\"The PME GPU settings structure, included in the main PME GPU structure by value.\">PmeGpuSettings</a> -> PmeGpuTasks </dd>\n <dt>File <a class=\"el\" href=\"pme__gpu__staging_8h.xhtml\">pme_gpu_staging.h</a> </dt>\n <dd><a class=\"anchor\" id=\"_todo000033\"></a>Some renaming/refactoring, which does not impair the performance: – bringing the function names up to guidelines – <a class=\"el\" href=\"structPmeGpuSettings.xhtml\" title=\"The PME GPU settings structure, included in the main PME GPU structure by value.\">PmeGpuSettings</a> -> PmeGpuTasks – refining GPU notation application (#2053) – renaming coefficients to charges (?) </dd>\n <dt>Member <a class=\"el\" href=\"pme_8h.xhtml#a9faddde52f5a636410141f52cc95d3e1\">pme_gpu_task_enabled</a> (const gmx_pme_t *pme)</dt>\n <dd><a class=\"anchor\" id=\"_todo000026\"></a>This is a rather static data that should be managed by the hardware assignment manager. For now, it is synonymous with the active PME codepath (in the absence of dynamic switching). </dd>\n <dt>File <a class=\"el\" href=\"pme__gpu__types__host_8h.xhtml\">pme_gpu_types_host.h</a> </dt>\n <dd><a class=\"anchor\" id=\"_todo000034\"></a>Some renaming/refactoring, which does not impair the performance: – bringing the function names up to guidelines – <a class=\"el\" href=\"structPmeGpuSettings.xhtml\" title=\"The PME GPU settings structure, included in the main PME GPU structure by value.\">PmeGpuSettings</a> -> PmeGpuTasks – refining GPU notation application (#2053) – renaming coefficients to charges (?) </dd>\n-<dt>Member <a class=\"el\" href=\"pme_8cpp.xhtml#a9cfbe9fa691aabaf1a9e10fa06858c96\">pme_run_mode</a> (const gmx_pme_t *pme)</dt>\n+<dt>Member <a class=\"el\" href=\"pme_8h.xhtml#a9cfbe9fa691aabaf1a9e10fa06858c96\">pme_run_mode</a> (const gmx_pme_t *pme)</dt>\n <dd><a class=\"anchor\" id=\"_todo000025\"></a>This is a rather static data that should be managed by the 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<name>cmdlinehelpcontext.h</name>\n </compound>\n- <compound refid=\"cmdlinehelpmodule_8h\" kind=\"file\">\n- <name>cmdlinehelpmodule.h</name>\n+ <compound refid=\"cmdlinehelpmodule_8cpp\" kind=\"file\">\n+ <name>cmdlinehelpmodule.cpp</name>\n </compound>\n- <compound refid=\"cmdlinehelpwriter_8cpp\" kind=\"file\">\n- <name>cmdlinehelpwriter.cpp</name>\n+ <compound refid=\"tests_2cmdlinehelpmodule_8cpp\" kind=\"file\">\n+ <name>cmdlinehelpmodule.cpp</name>\n </compound>\n- <compound refid=\"tests_2cmdlinehelpwriter_8cpp\" kind=\"file\">\n- <name>cmdlinehelpwriter.cpp</name>\n+ <compound refid=\"cmdlinehelpmodule_8h\" kind=\"file\">\n+ <name>cmdlinehelpmodule.h</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@@ -76991,44 +76991,14 @@\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=\"pargs_8cpp\" kind=\"file\">\n- <name>pargs.cpp</name>\n- <member refid=\"group__module__commandline_1ga0a74f7c7945af63c38f88e41b4313d58\" kind=\"function\">\n- <name>nenum</name>\n- </member>\n- <member refid=\"group__module__commandline_1ga2ab323b1fe839d8675911091bcf7cf26\" kind=\"function\">\n- <name>opt2parg_int</name>\n- </member>\n- <member refid=\"group__module__commandline_1ga5da29413f972652c840665204254ee83\" kind=\"function\">\n- <name>opt2parg_bool</name>\n- </member>\n- <member refid=\"group__module__commandline_1gae89406e3a37c9f5ef580a3362fce2cd7\" kind=\"function\">\n- <name>opt2parg_real</name>\n- </member>\n- <member refid=\"group__module__commandline_1ga80e94dc67a2b2b515f6bce576875e7e9\" kind=\"function\">\n- <name>opt2parg_str</name>\n- </member>\n- <member refid=\"group__module__commandline_1ga6cbcd9cba5e71c36309265ee04b36b47\" kind=\"function\">\n- <name>opt2parg_bSet</name>\n- </member>\n- <member refid=\"group__module__commandline_1ga7b688f41b7b39c41b3f244e652ad7a9b\" kind=\"function\">\n- <name>opt2parg_enum</name>\n- </member>\n- <member refid=\"group__module__commandline_1ga406d3a2398e332c6a3d139f64316bfa6\" kind=\"function\">\n- <name>parse_common_args</name>\n- </member>\n- </compound>\n- <compound refid=\"tests_2pargs_8cpp\" kind=\"file\">\n- <name>pargs.cpp</name>\n- </compound>\n <compound refid=\"pargs_8h\" kind=\"file\">\n <name>pargs.h</name>\n <member refid=\"group__module__commandline_1gae9060ba6f947e6b9c20514ce595d290e\" kind=\"define\">\n <name>PCA_CAN_VIEW</name>\n </member>\n <member refid=\"group__module__commandline_1ga582411d89d717e593d90ea442a51cb29\" kind=\"define\">\n <name>PCA_CAN_BEGIN</name>\n@@ -77084,19 +77054,19 @@\n </compound>\n <compound refid=\"shellcompletions_8cpp\" kind=\"file\">\n <name>shellcompletions.cpp</name>\n </compound>\n <compound refid=\"shellcompletions_8h\" kind=\"file\">\n <name>shellcompletions.h</name>\n </compound>\n- <compound refid=\"cmdlinehelpmodule_8cpp\" kind=\"file\">\n- <name>cmdlinehelpmodule.cpp</name>\n+ <compound refid=\"cmdlinehelpwriter_8cpp\" kind=\"file\">\n+ <name>cmdlinehelpwriter.cpp</name>\n </compound>\n- <compound refid=\"tests_2cmdlinehelpmodule_8cpp\" kind=\"file\">\n- <name>cmdlinehelpmodule.cpp</name>\n+ <compound refid=\"tests_2cmdlinehelpwriter_8cpp\" kind=\"file\">\n+ <name>cmdlinehelpwriter.cpp</name>\n </compound>\n <compound refid=\"cmdlinemodulemanagertest_8cpp\" kind=\"file\">\n <name>cmdlinemodulemanagertest.cpp</name>\n </compound>\n <compound refid=\"cmdlinemodulemanagertest_8h\" kind=\"file\">\n <name>cmdlinemodulemanagertest.h</name>\n </compound>\n@@ -77159,14 +77129,44 @@\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=\"pargs_8cpp\" kind=\"file\">\n+ <name>pargs.cpp</name>\n+ <member refid=\"group__module__commandline_1ga0a74f7c7945af63c38f88e41b4313d58\" kind=\"function\">\n+ <name>nenum</name>\n+ </member>\n+ <member refid=\"group__module__commandline_1ga2ab323b1fe839d8675911091bcf7cf26\" kind=\"function\">\n+ <name>opt2parg_int</name>\n+ </member>\n+ <member refid=\"group__module__commandline_1ga5da29413f972652c840665204254ee83\" kind=\"function\">\n+ <name>opt2parg_bool</name>\n+ </member>\n+ <member refid=\"group__module__commandline_1gae89406e3a37c9f5ef580a3362fce2cd7\" kind=\"function\">\n+ <name>opt2parg_real</name>\n+ </member>\n+ <member refid=\"group__module__commandline_1ga80e94dc67a2b2b515f6bce576875e7e9\" kind=\"function\">\n+ <name>opt2parg_str</name>\n+ </member>\n+ <member refid=\"group__module__commandline_1ga6cbcd9cba5e71c36309265ee04b36b47\" kind=\"function\">\n+ <name>opt2parg_bSet</name>\n+ </member>\n+ <member refid=\"group__module__commandline_1ga7b688f41b7b39c41b3f244e652ad7a9b\" kind=\"function\">\n+ <name>opt2parg_enum</name>\n+ </member>\n+ <member refid=\"group__module__commandline_1ga406d3a2398e332c6a3d139f64316bfa6\" kind=\"function\">\n+ <name>parse_common_args</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2pargs_8cpp\" kind=\"file\">\n+ <name>pargs.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 <name>numberOfPossibleFiles</name>\n@@ -77216,14 +77216,20 @@\n </compound>\n <compound refid=\"coordinatefileenums_8h\" kind=\"file\">\n <name>coordinatefileenums.h</name>\n </compound>\n <compound refid=\"frameconverterenums_8h\" kind=\"file\">\n <name>frameconverterenums.h</name>\n </compound>\n+ <compound refid=\"frameconverters_2register_8cpp\" kind=\"file\">\n+ <name>register.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2register_8cpp\" kind=\"file\">\n+ <name>register.cpp</name>\n+ </compound>\n <compound refid=\"register_8h\" kind=\"file\">\n <name>register.h</name>\n </compound>\n <compound refid=\"iframeconverter_8h\" kind=\"file\">\n <name>iframeconverter.h</name>\n </compound>\n <compound refid=\"ioutputadapter_8h\" kind=\"file\">\n@@ -77234,14 +77240,20 @@\n </compound>\n <compound refid=\"outputselector_8cpp\" kind=\"file\">\n <name>outputselector.cpp</name>\n </compound>\n <compound refid=\"outputselector_8h\" kind=\"file\">\n <name>outputselector.h</name>\n </compound>\n+ <compound refid=\"outputadapters_2setatoms_8cpp\" kind=\"file\">\n+ <name>setatoms.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2setatoms_8cpp\" kind=\"file\">\n+ <name>setatoms.cpp</name>\n+ </compound>\n <compound refid=\"setatoms_8h\" kind=\"file\">\n <name>setatoms.h</name>\n </compound>\n <compound refid=\"setbox_8h\" kind=\"file\">\n <name>setbox.h</name>\n </compound>\n <compound refid=\"setforces_8cpp\" kind=\"file\">\n@@ -77252,17 +77264,29 @@\n </compound>\n <compound refid=\"setprecision_8cpp\" kind=\"file\">\n <name>setprecision.cpp</name>\n </compound>\n <compound refid=\"setprecision_8h\" kind=\"file\">\n <name>setprecision.h</name>\n </compound>\n+ <compound refid=\"outputadapters_2setstarttime_8cpp\" kind=\"file\">\n+ <name>setstarttime.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2setstarttime_8cpp\" kind=\"file\">\n+ <name>setstarttime.cpp</name>\n+ </compound>\n <compound refid=\"setstarttime_8h\" kind=\"file\">\n <name>setstarttime.h</name>\n </compound>\n+ <compound refid=\"outputadapters_2settimestep_8cpp\" kind=\"file\">\n+ <name>settimestep.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2settimestep_8cpp\" kind=\"file\">\n+ <name>settimestep.cpp</name>\n+ </compound>\n <compound refid=\"settimestep_8h\" kind=\"file\">\n <name>settimestep.h</name>\n </compound>\n <compound refid=\"setvelocities_8cpp\" kind=\"file\">\n <name>setvelocities.cpp</name>\n </compound>\n <compound refid=\"setvelocities_8h\" kind=\"file\">\n@@ -77288,125 +77312,35 @@\n </compound>\n <compound refid=\"outputadapters_8h\" kind=\"file\">\n <name>outputadapters.h</name>\n </compound>\n <compound refid=\"tests_2outputadapters_8h\" kind=\"file\">\n <name>outputadapters.h</name>\n </compound>\n- <compound refid=\"frameconverters_2register_8cpp\" kind=\"file\">\n- <name>register.cpp</name>\n- </compound>\n- <compound refid=\"tests_2register_8cpp\" kind=\"file\">\n- <name>register.cpp</name>\n- </compound>\n <compound refid=\"requirements_8cpp\" kind=\"file\">\n <name>requirements.cpp</name>\n </compound>\n <compound refid=\"tests_2requirements_8cpp\" kind=\"file\">\n <name>requirements.cpp</name>\n </compound>\n <compound refid=\"requirements_8h\" kind=\"file\">\n <name>requirements.h</name>\n </compound>\n <compound refid=\"tests_2requirements_8h\" kind=\"file\">\n <name>requirements.h</name>\n </compound>\n- <compound refid=\"outputadapters_2setatoms_8cpp\" kind=\"file\">\n- <name>setatoms.cpp</name>\n- </compound>\n- <compound refid=\"tests_2setatoms_8cpp\" kind=\"file\">\n- <name>setatoms.cpp</name>\n- </compound>\n <compound refid=\"setbothtime_8cpp\" kind=\"file\">\n <name>setbothtime.cpp</name>\n </compound>\n- <compound refid=\"outputadapters_2setstarttime_8cpp\" kind=\"file\">\n- <name>setstarttime.cpp</name>\n- </compound>\n- <compound refid=\"tests_2setstarttime_8cpp\" kind=\"file\">\n- <name>setstarttime.cpp</name>\n- </compound>\n- <compound refid=\"outputadapters_2settimestep_8cpp\" kind=\"file\">\n- <name>settimestep.cpp</name>\n- </compound>\n- <compound refid=\"tests_2settimestep_8cpp\" kind=\"file\">\n- <name>settimestep.cpp</name>\n- </compound>\n <compound refid=\"testmodule_8cpp\" kind=\"file\">\n <name>testmodule.cpp</name>\n </compound>\n <compound refid=\"testmodule_8h\" kind=\"file\">\n <name>testmodule.h</name>\n </compound>\n- <compound refid=\"autocorr_8cpp\" kind=\"file\">\n- <name>autocorr.cpp</name>\n- <member refid=\"autocorr_8cpp_1a605dbdf5c9c7c6edbb25ad8981e471d6\" kind=\"define\">\n- <name>MODE</name>\n- </member>\n- <member refid=\"autocorr_8cpp_1a99fb83031ce9923c84392b4e92f956b5\" kind=\"enum\">\n- <name/>\n- </member>\n- <member refid=\"autocorr_8cpp_1a99fb83031ce9923c84392b4e92f956b5a6b76e7c24363b381b6ce46760fa5d05e\" kind=\"enumvalue\">\n- <name>enNorm</name>\n- </member>\n- <member refid=\"autocorr_8cpp_1a99fb83031ce9923c84392b4e92f956b5a33afc5230a7ca178fd16be2e8d0c79e1\" kind=\"enumvalue\">\n- <name>enCos</name>\n- </member>\n- <member refid=\"autocorr_8cpp_1a99fb83031ce9923c84392b4e92f956b5ab47113ce25642de9b603d0b19ada90b0\" kind=\"enumvalue\">\n- <name>enSin</name>\n- </member>\n- <member refid=\"autocorr_8cpp_1aa37e36f81330624944fe74dbf2fae518\" kind=\"variable\">\n- <name>bACFinit</name>\n- </member>\n- <member refid=\"autocorr_8cpp_1a5b7826027fef61b286a2a6c6e7e02615\" kind=\"variable\">\n- <name>acf</name>\n- </member>\n- <member refid=\"autocorr_8cpp_1ae902094ccffe99ee5e65f18316a45c0b\" kind=\"variable\">\n- <name>Leg</name>\n- </member>\n- <member refid=\"autocorr_8cpp_1ac9aea735d8ca2f250d38416aecb6bbee\" kind=\"function\">\n- <name>low_do_four_core</name>\n- </member>\n- <member refid=\"autocorr_8cpp_1a31962f60a4cacc06d974905180d537f2\" kind=\"function\">\n- <name>do_ac_core</name>\n- </member>\n- <member refid=\"autocorr_8cpp_1a415d5aa1ec90e0366c9754df28f3e180\" kind=\"function\">\n- <name>normalize_acf</name>\n- </member>\n- <member refid=\"autocorr_8cpp_1ac53da98a385ba51e429626625bdd07f0\" kind=\"function\">\n- <name>average_acf</name>\n- </member>\n- <member refid=\"autocorr_8cpp_1ae225e0667d9a6856ba697f31ecc40ade\" kind=\"function\">\n- <name>norm_and_scale_vectors</name>\n- </member>\n- <member refid=\"autocorr_8cpp_1a4ae8fea2b75675da74a2c1962078d381\" kind=\"function\">\n- <name>dump_tmp</name>\n- </member>\n- <member refid=\"autocorr_8cpp_1a90153908d36e77fda644d11cfc95b5fd\" kind=\"function\">\n- <name>do_four_core</name>\n- </member>\n- <member refid=\"autocorr_8cpp_1a432989a3b51095ed4fb0264152633459\" kind=\"function\">\n- <name>low_do_autocorr</name>\n- </member>\n- <member refid=\"autocorr_8cpp_1afc2f3037d35ef085a7cbeb54f6f1f2ac\" kind=\"function\">\n- <name>add_acf_pargs</name>\n- </member>\n- <member refid=\"autocorr_8cpp_1ae559575d61ab253f6f81ffbcb318dcd1\" kind=\"function\">\n- <name>do_autocorr</name>\n- </member>\n- <member refid=\"autocorr_8cpp_1a6ffe718811a1de496d0d03c2110907ca\" kind=\"function\">\n- <name>get_acfnout</name>\n- </member>\n- <member refid=\"autocorr_8cpp_1ae8203eca8a282a6a6c3193eb7434e740\" kind=\"function\">\n- <name>get_acffitfn</name>\n- </member>\n- </compound>\n- <compound refid=\"tests_2autocorr_8cpp\" kind=\"file\">\n- <name>autocorr.cpp</name>\n- </compound>\n <compound refid=\"autocorr_8h\" kind=\"file\">\n <name>autocorr.h</name>\n <member refid=\"autocorr_8h_1ac286f7100cec1b937d55710988ae68ed\" kind=\"define\">\n <name>eacNormal</name>\n </member>\n <member refid=\"autocorr_8h_1a19575f12ab2de3575d91455dc15b3fce\" kind=\"define\">\n <name>eacCos</name>\n@@ -77657,14 +77591,23 @@\n <member refid=\"integrate_8h_1a6efd3fb6110b8a9030675e2190993233\" kind=\"function\">\n <name>print_and_integrate</name>\n </member>\n <member refid=\"integrate_8h_1a38e20dac9ec9e663be10d6c3668d1cbc\" kind=\"function\">\n <name>evaluate_integral</name>\n </member>\n </compound>\n+ <compound refid=\"manyautocorrelation_8cpp\" kind=\"file\">\n+ <name>manyautocorrelation.cpp</name>\n+ <member refid=\"manyautocorrelation_8cpp_1ad3b9966ff6279f6316c3c898e31f0dee\" kind=\"function\">\n+ <name>many_auto_correl</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2manyautocorrelation_8cpp\" kind=\"file\">\n+ <name>manyautocorrelation.cpp</name>\n+ </compound>\n <compound refid=\"manyautocorrelation_8h\" kind=\"file\">\n <name>manyautocorrelation.h</name>\n <member refid=\"manyautocorrelation_8h_1ad3b9966ff6279f6316c3c898e31f0dee\" kind=\"function\">\n <name>many_auto_correl</name>\n </member>\n </compound>\n <compound refid=\"polynomials_8cpp\" kind=\"file\">\n@@ -77675,29 +77618,86 @@\n </compound>\n <compound refid=\"polynomials_8h\" kind=\"file\">\n <name>polynomials.h</name>\n <member refid=\"polynomials_8h_1a24cac462becd0bc1b54ba58d119a9f79\" kind=\"function\">\n <name>LegendreP</name>\n </member>\n </compound>\n+ <compound refid=\"autocorr_8cpp\" kind=\"file\">\n+ <name>autocorr.cpp</name>\n+ <member refid=\"autocorr_8cpp_1a605dbdf5c9c7c6edbb25ad8981e471d6\" kind=\"define\">\n+ <name>MODE</name>\n+ </member>\n+ <member refid=\"autocorr_8cpp_1a99fb83031ce9923c84392b4e92f956b5\" kind=\"enum\">\n+ <name/>\n+ </member>\n+ <member refid=\"autocorr_8cpp_1a99fb83031ce9923c84392b4e92f956b5a6b76e7c24363b381b6ce46760fa5d05e\" kind=\"enumvalue\">\n+ <name>enNorm</name>\n+ </member>\n+ <member refid=\"autocorr_8cpp_1a99fb83031ce9923c84392b4e92f956b5a33afc5230a7ca178fd16be2e8d0c79e1\" kind=\"enumvalue\">\n+ <name>enCos</name>\n+ </member>\n+ <member refid=\"autocorr_8cpp_1a99fb83031ce9923c84392b4e92f956b5ab47113ce25642de9b603d0b19ada90b0\" kind=\"enumvalue\">\n+ <name>enSin</name>\n+ </member>\n+ <member refid=\"autocorr_8cpp_1aa37e36f81330624944fe74dbf2fae518\" kind=\"variable\">\n+ <name>bACFinit</name>\n+ </member>\n+ <member refid=\"autocorr_8cpp_1a5b7826027fef61b286a2a6c6e7e02615\" kind=\"variable\">\n+ <name>acf</name>\n+ </member>\n+ <member refid=\"autocorr_8cpp_1ae902094ccffe99ee5e65f18316a45c0b\" kind=\"variable\">\n+ <name>Leg</name>\n+ 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refid=\"autocorr_8cpp_1a432989a3b51095ed4fb0264152633459\" kind=\"function\">\n+ <name>low_do_autocorr</name>\n+ </member>\n+ <member refid=\"autocorr_8cpp_1afc2f3037d35ef085a7cbeb54f6f1f2ac\" kind=\"function\">\n+ <name>add_acf_pargs</name>\n+ </member>\n+ <member refid=\"autocorr_8cpp_1ae559575d61ab253f6f81ffbcb318dcd1\" kind=\"function\">\n+ <name>do_autocorr</name>\n+ </member>\n+ <member refid=\"autocorr_8cpp_1a6ffe718811a1de496d0d03c2110907ca\" kind=\"function\">\n+ <name>get_acfnout</name>\n+ </member>\n+ <member refid=\"autocorr_8cpp_1ae8203eca8a282a6a6c3193eb7434e740\" kind=\"function\">\n+ <name>get_acffitfn</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2autocorr_8cpp\" kind=\"file\">\n+ <name>autocorr.cpp</name>\n+ </compound>\n <compound refid=\"correlationdataset_8cpp\" kind=\"file\">\n <name>correlationdataset.cpp</name>\n </compound>\n <compound refid=\"correlationdataset_8h\" kind=\"file\">\n <name>correlationdataset.h</name>\n </compound>\n- <compound refid=\"manyautocorrelation_8cpp\" kind=\"file\">\n- <name>manyautocorrelation.cpp</name>\n- <member refid=\"manyautocorrelation_8cpp_1ad3b9966ff6279f6316c3c898e31f0dee\" kind=\"function\">\n- <name>many_auto_correl</name>\n- </member>\n- </compound>\n- <compound refid=\"tests_2manyautocorrelation_8cpp\" kind=\"file\">\n- <name>manyautocorrelation.cpp</name>\n- </compound>\n <compound refid=\"atomdistribution_8cpp\" kind=\"file\">\n <name>atomdistribution.cpp</name>\n <member refid=\"atomdistribution_8cpp_1ad3c839e015f56c142bcf28b44b51f8c8\" kind=\"function\">\n <name>numRanks</name>\n </member>\n <member refid=\"atomdistribution_8cpp_1a6324027a460a49578da9eb57c56eff39\" kind=\"function\">\n <name>get_commbuffer_counts</name>\n@@ -78725,14 +78725,20 @@\n </compound>\n <compound refid=\"localatomsetdata_8cpp\" kind=\"file\">\n <name>localatomsetdata.cpp</name>\n </compound>\n <compound refid=\"localatomsetdata_8h\" kind=\"file\">\n <name>localatomsetdata.h</name>\n </compound>\n+ <compound refid=\"localatomsetmanager_8cpp\" kind=\"file\">\n+ <name>localatomsetmanager.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2localatomsetmanager_8cpp\" kind=\"file\">\n+ <name>localatomsetmanager.cpp</name>\n+ </compound>\n <compound refid=\"localatomsetmanager_8h\" kind=\"file\">\n <name>localatomsetmanager.h</name>\n </compound>\n <compound refid=\"localtopology_8cpp\" kind=\"file\">\n <name>localtopology.cpp</name>\n <member refid=\"localtopology_8cpp_1a1f902c679cbc7b7d2a72c24b0ad5c6c8\" kind=\"function\">\n <name>atomInMolblockFromGlobalAtomnr</name>\n@@ -79088,20 +79094,14 @@\n </compound>\n <compound refid=\"haloexchange__mpi_8cpp\" kind=\"file\">\n <name>haloexchange_mpi.cpp</name>\n </compound>\n <compound refid=\"hashedmap_8cpp\" kind=\"file\">\n <name>hashedmap.cpp</name>\n </compound>\n- <compound refid=\"localatomsetmanager_8cpp\" kind=\"file\">\n- <name>localatomsetmanager.cpp</name>\n- </compound>\n- <compound refid=\"tests_2localatomsetmanager_8cpp\" 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<name>gmx_pme_reinit_atoms</name>\n- </member>\n- <member refid=\"pme_8cpp_1a90e8466d51fc7f91409cce40287f1d14\" kind=\"function\">\n- <name>gmx_pme_grid_matches</name>\n- </member>\n- </compound>\n- <compound refid=\"tests_2pme_8cpp\" kind=\"file\">\n- <name>pme.cpp</name>\n- </compound>\n <compound refid=\"pmebsplinetest_8cpp\" kind=\"file\">\n <name>pmebsplinetest.cpp</name>\n </compound>\n <compound refid=\"pmegathertest_8cpp\" kind=\"file\">\n <name>pmegathertest.cpp</name>\n </compound>\n <compound refid=\"pmesolvetest_8cpp\" kind=\"file\">\n@@ -81137,14 +81101,41 @@\n </compound>\n <compound refid=\"calcgrid_8h\" kind=\"file\">\n <name>calcgrid.h</name>\n <member refid=\"calcgrid_8h_1a93c2f59abd0fbe468c5e51d8c3c9b9a8\" kind=\"function\">\n <name>calcFftGrid</name>\n </member>\n </compound>\n+ <compound refid=\"fft_8cpp\" kind=\"file\">\n+ <name>fft.cpp</name>\n+ <member refid=\"fft_8cpp_1a0480bd54f6694c0d4b6621c33cf67b89\" kind=\"typedef\">\n+ <name>gmx_many_fft_t</name>\n+ </member>\n+ <member refid=\"fft_8cpp_1adce6d0b24710ceec9dad481b5210ebd8\" kind=\"function\">\n+ <name>gmx_fft_init_many_1d</name>\n+ </member>\n+ <member refid=\"fft_8cpp_1adfd5fc4c5d44560a6fd3c07ce78bce6e\" kind=\"function\">\n+ <name>gmx_fft_init_many_1d_real</name>\n+ </member>\n+ <member refid=\"fft_8cpp_1af722773aa9ec88a4984aed9d4c1820f5\" kind=\"function\">\n+ <name>gmx_fft_many_1d</name>\n+ </member>\n+ <member refid=\"fft_8cpp_1ae96f00b2f99bc877a359185332216d8c\" kind=\"function\">\n+ <name>gmx_fft_many_1d_real</name>\n+ </member>\n+ <member refid=\"fft_8cpp_1ade0d0b112bcb9ba359e5fc35944b5693\" kind=\"function\">\n+ <name>gmx_many_fft_destroy</name>\n+ </member>\n+ <member refid=\"fft_8cpp_1a05cf1a5a8427f30bbbc35ccbf89128d7\" kind=\"function\">\n+ <name>gmx_fft_transpose_2d</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2fft_8cpp\" kind=\"file\">\n+ <name>fft.cpp</name>\n+ </compound>\n <compound refid=\"fft_8h\" kind=\"file\">\n <name>fft.h</name>\n <member refid=\"fft_8h_1af2aa0b3a5f3a4339ecb2bd67cb8f8302\" kind=\"enum\">\n <name>gmx_fft_direction</name>\n </member>\n <member refid=\"fft_8h_1af2aa0b3a5f3a4339ecb2bd67cb8f8302a27ed3f7728bda473c6ebe5cb4cd56a3b\" kind=\"enumvalue\">\n <name>GMX_FFT_FORWARD</name>\n@@ -81578,41 +81569,14 @@\n </compound>\n <compound refid=\"rocfft__common__utils_8cpp\" kind=\"file\">\n <name>rocfft_common_utils.cpp</name>\n </compound>\n <compound refid=\"rocfft__common__utils_8h\" kind=\"file\">\n <name>rocfft_common_utils.h</name>\n </compound>\n- <compound refid=\"fft_8cpp\" kind=\"file\">\n- <name>fft.cpp</name>\n- <member refid=\"fft_8cpp_1a0480bd54f6694c0d4b6621c33cf67b89\" kind=\"typedef\">\n- <name>gmx_many_fft_t</name>\n- </member>\n- <member refid=\"fft_8cpp_1adce6d0b24710ceec9dad481b5210ebd8\" kind=\"function\">\n- <name>gmx_fft_init_many_1d</name>\n- </member>\n- <member refid=\"fft_8cpp_1adfd5fc4c5d44560a6fd3c07ce78bce6e\" kind=\"function\">\n- <name>gmx_fft_init_many_1d_real</name>\n- </member>\n- <member refid=\"fft_8cpp_1af722773aa9ec88a4984aed9d4c1820f5\" kind=\"function\">\n- <name>gmx_fft_many_1d</name>\n- </member>\n- <member refid=\"fft_8cpp_1ae96f00b2f99bc877a359185332216d8c\" kind=\"function\">\n- <name>gmx_fft_many_1d_real</name>\n- </member>\n- <member refid=\"fft_8cpp_1ade0d0b112bcb9ba359e5fc35944b5693\" kind=\"function\">\n- <name>gmx_many_fft_destroy</name>\n- </member>\n- <member refid=\"fft_8cpp_1a05cf1a5a8427f30bbbc35ccbf89128d7\" kind=\"function\">\n- <name>gmx_fft_transpose_2d</name>\n- </member>\n- </compound>\n- <compound refid=\"tests_2fft_8cpp\" kind=\"file\">\n- <name>fft.cpp</name>\n- </compound>\n <compound refid=\"fft__mpi_8cpp\" kind=\"file\">\n <name>fft_mpi.cpp</name>\n </compound>\n <compound refid=\"checkpoint_8h\" kind=\"file\">\n <name>checkpoint.h</name>\n <member refid=\"checkpoint_8h_1a825dd15142a6e46b9dec5e2710bf3572\" kind=\"define\">\n <name>GMX_IGNORE_FSYNC_FAILURE_ENV</name>\n@@ -81716,14 +81680,53 @@\n <member refid=\"checkpoint_8h_1aab48cf6bc13c7b1b57c5792d39ce78d2\" kind=\"function\">\n <name>read_checkpoint_part_and_step</name>\n </member>\n <member refid=\"checkpoint_8h_1a06c41f89c137b533bf730a92a01ed125\" kind=\"function\">\n <name>read_checkpoint_simulation_part_and_filenames</name>\n </member>\n </compound>\n+ <compound refid=\"confio_8cpp\" kind=\"file\">\n+ <name>confio.cpp</name>\n+ <member refid=\"confio_8cpp_1aac476a3de50b9646f7fe62c6cf7ed96d\" kind=\"function\">\n+ <name>write_sto_conf_indexed</name>\n+ </member>\n+ <member refid=\"confio_8cpp_1a7af5536c7d5fc8a831b919afc2d064e7\" kind=\"function\">\n+ <name>write_sto_conf</name>\n+ </member>\n+ <member refid=\"confio_8cpp_1a920a16d74835775b1800e2c2a9458b57\" kind=\"function\">\n+ <name>write_sto_conf_mtop</name>\n+ </member>\n+ <member refid=\"confio_8cpp_1a062e8b9f2f49593f9a84547636b473ce\" kind=\"function\">\n+ <name>get_stx_coordnum</name>\n+ </member>\n+ <member refid=\"confio_8cpp_1ac3885c367eaa210c468927343b83a659\" kind=\"function\">\n+ <name>makeChainIdentifiersAfterTprReading</name>\n+ </member>\n+ <member refid=\"confio_8cpp_1a522d75de1dd7057b02cdaf9f32901d8e\" kind=\"function\">\n+ <name>tpx_make_chain_identifiers</name>\n+ </member>\n+ <member refid=\"confio_8cpp_1a19c9a7ae4915e93fc391349ba718ac8d\" kind=\"function\">\n+ <name>read_stx_conf</name>\n+ </member>\n+ <member refid=\"confio_8cpp_1aa2155fe95dbdab17fa12fbcb3c89112b\" kind=\"function\">\n+ <name>readConfAndAtoms</name>\n+ </member>\n+ <member refid=\"confio_8cpp_1a12484b0af15d7473585bd8da8bb0ebe6\" kind=\"function\">\n+ <name>readConfAndTopology</name>\n+ </member>\n+ <member refid=\"confio_8cpp_1a2d41e7216b997216fd5f763e6a340f53\" kind=\"function\">\n+ <name>read_tps_conf</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2confio_8cpp\" kind=\"file\">\n+ <name>confio.cpp</name>\n+ <member refid=\"tests_2confio_8cpp_1ae9ec9498ed69d6298c4cec343dbf6eea\" kind=\"function\">\n+ <name>PrintTo</name>\n+ </member>\n+ </compound>\n <compound refid=\"enxio_8cpp\" kind=\"file\">\n <name>enxio.cpp</name>\n <member refid=\"enxio_8cpp_1a953aab07c9b7099add0ae48e9dfbd146\" kind=\"variable\">\n <name>enx_version</name>\n </member>\n <member refid=\"enxio_8cpp_1ae1b62d388e3fae49802ef738c38ddfb8\" kind=\"variable\">\n <name>enx_block_id_name</name>\n@@ -81956,14 +81959,119 @@\n <member refid=\"espio_8h_1aabc6904f46d247fb258a1f3d4c83ed99\" kind=\"function\">\n <name>get_espresso_coordnum</name>\n </member>\n <member refid=\"espio_8h_1a2fc75f4a89a934233547bff8ca61e8f6\" kind=\"function\">\n <name>write_espresso_conf_indexed</name>\n </member>\n </compound>\n+ <compound refid=\"filetypes_8cpp\" kind=\"file\">\n+ <name>filetypes.cpp</name>\n+ <member refid=\"filetypes_8cpp_1afbb414d166f3653d7620ec910d2958f7\" kind=\"define\">\n+ <name>NTRXS</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1a6c57542a0625815800bd3dec773feb02\" kind=\"define\">\n+ <name>NTRCOMPRESSED</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1aba629da339c3d249bddada196008b7c2\" kind=\"define\">\n+ <name>NTROS</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1ad32c39affa8874eeee37354ac661db24\" kind=\"define\">\n+ <name>NTRNS</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1a2ff1fb016472ba4e4b6aa039f2c36ef4\" kind=\"define\">\n+ <name>NSTOS</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1ab4638e49e7e4beeda34180aa97cf6548\" kind=\"define\">\n+ <name>NSTXS</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1a9508c95605e576555eb565a42e52a3e8\" kind=\"define\">\n+ <name>NTPSS</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1ac36f475ca5b446f4fde4c9b90bec77c8\" kind=\"enum\">\n+ <name/>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1ac36f475ca5b446f4fde4c9b90bec77c8ab63c68b05dae41e3c49ce12334b65066\" kind=\"enumvalue\">\n+ <name>eftASC</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1ac36f475ca5b446f4fde4c9b90bec77c8af20355c6709bbaea25b7b37d2c2b8ca5\" kind=\"enumvalue\">\n+ <name>eftXDR</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1ac36f475ca5b446f4fde4c9b90bec77c8ab5d3472c748f6320e48e549ed589b571\" kind=\"enumvalue\">\n+ <name>eftTNG</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1ac36f475ca5b446f4fde4c9b90bec77c8a2550d4448e922db35680cd1f476874ae\" kind=\"enumvalue\">\n+ <name>eftGEN</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1ac36f475ca5b446f4fde4c9b90bec77c8ab97957f0462d3a5fe856439f57f2c571\" kind=\"enumvalue\">\n+ <name>eftNR</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1a2a52f2af40ecdf7b8648de6c4740f04f\" kind=\"variable\">\n+ <name>trxs</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1a7b382e57fe6b359fe45cb2d5b7761250\" kind=\"variable\">\n+ <name>trcompressed</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1a791531454b36a7f3efe6abc99b715011\" kind=\"variable\">\n+ <name>tros</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1a564fe263c23d7680cfee6c3f8e9e74ca\" kind=\"variable\">\n+ <name>trns</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1aca647e15b93af2746160bd77bb079596\" kind=\"variable\">\n+ <name>stos</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1a364c96e941eaddcffd2308599dd37b97\" kind=\"variable\">\n+ <name>stxs</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1a2b0b5db20dba96210c91881378d3c194\" kind=\"variable\">\n+ <name>tpss</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1ac0d0bba808fe0b773bad5fa2bdb8b9b9\" kind=\"variable\">\n+ <name>deffile</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1a7c65ef70aea2a8ea3b16ee7ab2ffaadf\" kind=\"function\">\n+ <name>ftp2ext</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1aa76abe17454b3dc3cf405d97c62842a1\" kind=\"function\">\n+ <name>ftp2ext_generic</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1ae280866a8aaa7877e259d28b9ab65a62\" kind=\"function\">\n+ <name>ftp2ext_with_dot</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1a51e04671b2683666a2cde7cab96ecb98\" kind=\"function\">\n+ <name>ftp2generic_count</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1a7de4c622c7b653b2cb36ef695fb8596d\" kind=\"function\">\n+ <name>ftp2generic_list</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1afc1df62e08bb441b41d75666862237d5\" kind=\"function\">\n+ <name>ftp2desc</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1ab0c2fd894a2c121fe5e811d570a6cdb6\" kind=\"function\">\n+ <name>ftp_is_text</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1ae2c7dfd387ec8ce92ef847b38d7ca68b\" kind=\"function\">\n+ <name>ftp_is_xdr</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1a262f28a4ea343467e42aef7d0d0d7614\" kind=\"function\">\n+ <name>ftp2defnm</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1ae166c5c5872853b726ee1eb8e1f7511d\" kind=\"function\">\n+ <name>ftp2defopt</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1ac102b21b9606aa82b2a0fd78f6a79aa4\" kind=\"function\">\n+ <name>fn2ftp</name>\n+ </member>\n+ <member refid=\"filetypes_8cpp_1adb20ab3cec07ad77d55f036eb451af0c\" kind=\"function\">\n+ <name>fn2ftp</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2filetypes_8cpp\" kind=\"file\">\n+ <name>filetypes.cpp</name>\n+ </compound>\n <compound refid=\"g96io_8cpp\" kind=\"file\">\n <name>g96io.cpp</name>\n <member refid=\"g96io_8cpp_1a46b0c9f79d0d7e018c29f0efa7b51f03\" kind=\"define\">\n <name>CHAR_SHIFT</name>\n </member>\n <member refid=\"g96io_8cpp_1a2b2a00fbb66a4156d51e53f97bb0155e\" kind=\"function\">\n <name>read_g96_pos</name>\n@@ -82565,14 +82673,20 @@\n <member refid=\"groio_8h_1a72b07505336347737019c8d3f3bf41ed\" kind=\"function\">\n <name>write_hconf_p</name>\n </member>\n <member refid=\"groio_8h_1a83e84cdf0782bb0556456579b49a2795\" kind=\"function\">\n <name>write_conf_p</name>\n </member>\n </compound>\n+ <compound refid=\"h5md_8cpp\" kind=\"file\">\n+ <name>h5md.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2h5md_8cpp\" kind=\"file\">\n+ <name>h5md.cpp</name>\n+ </compound>\n <compound refid=\"h5md_8h\" kind=\"file\">\n <name>h5md.h</name>\n </compound>\n <compound refid=\"h5md__guard_8cpp\" kind=\"file\">\n <name>h5md_guard.cpp</name>\n </compound>\n <compound refid=\"h5md__guard_8h\" kind=\"file\">\n@@ -82661,14 +82775,122 @@\n <member refid=\"libxdrf_8cpp_1a03f66c42bf5da5b05abf6c042f9296cf\" kind=\"function\">\n <name>xdr_xtc_get_last_frame_time</name>\n </member>\n <member refid=\"libxdrf_8cpp_1af7efed4286f1cafc2b34f24368072dc5\" kind=\"function\">\n <name>xdr_xtc_get_last_frame_number</name>\n </member>\n </compound>\n+ <compound refid=\"matio_8cpp\" kind=\"file\">\n+ <name>matio.cpp</name>\n+ <member refid=\"matio_8cpp_1a0308482d69a4ee8eb07c20880792a361\" kind=\"define\">\n+ <name>NMAP</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1a1e605e8e63f4d3c63bca9dcced15e1d5\" kind=\"variable\">\n+ <name>mapper</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1af441287d67d39ef515faf2daa7642389\" kind=\"function\">\n+ <name>mk_matrix</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1a2145005d94ed36098cdaa0beddd7766c\" kind=\"function\">\n+ <name>done_matrix</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1a1e0dfea2f27cd79207235d925e82dfde\" kind=\"function\">\n+ <name>searchcmap</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1ad89ef9cb4e7dd0288bcb5b8e519e5fe2\" kind=\"function\">\n+ <name>getcmap</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1a09ed82e441a57615c0c9cf0e0324d8f2\" kind=\"function\">\n+ <name>readcmap</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1aee438e4253adcb4cafa2be0237600195\" kind=\"function\">\n+ <name>printcmap</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1a60cb07b2145a9c971a9cb9edd5672855\" kind=\"function\">\n+ <name>writecmap</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1a3baadbb25ce7efbb67f7a536988ec7d2\" kind=\"function\">\n+ <name>fgetline</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1a0a9db3e1ae390a48cc49217b8b568bfe\" kind=\"function\">\n+ <name>skipstr</name>\n+ 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kind=\"function\">\n+ <name>write_xpm_map3</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1a64c6e1b8341da28e072463a2495b092d\" kind=\"function\">\n+ <name>pr_simple_cmap</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1a712f2d2c6daac29180d7657a14d82233\" kind=\"function\">\n+ <name>pr_discrete_cmap</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1a1504735a6f15365c5dc9357af9b05a90\" kind=\"function\">\n+ <name>write_xpm_map_split</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1a5db5737111586ff5cd5511c1c92aecc5\" kind=\"function\">\n+ <name>write_xpm_map</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1a09c335879e3ab4ffcc34d88f285748a9\" kind=\"function\">\n+ <name>writeXpmAxis</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1a8ccf4c946436f39f3fab15766e681f42\" kind=\"function\">\n+ <name>write_xpm_data</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1a44be6116e4b0b857fc433adbe8ebe03e\" kind=\"function\">\n+ <name>write_xpm_data3</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1ae23514a15ae0cffd9780b96541cb5b04\" kind=\"function\">\n+ <name>write_xpm_data_split</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1a1091d9715c36182a853ca034eb34c801\" kind=\"function\">\n+ <name>write_xpm_m</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1ab1cc4b70bfef6bf4f38b24f9c20666a2\" kind=\"function\">\n+ <name>write_xpm3</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1ae5ce3e56169e8ee128e5cc11fe2d8a89\" kind=\"function\">\n+ <name>write_xpm3</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1ae5f41f49a9c105dfe0bc1967916f9691\" kind=\"function\">\n+ <name>write_xpm_split</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1a17397278d7afc85fc875aeb6b45c285c\" kind=\"function\">\n+ <name>write_xpm_split</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1a412b104ebc6167f489ce1939a7393934\" kind=\"function\">\n+ <name>write_xpm</name>\n+ </member>\n+ <member refid=\"matio_8cpp_1a05bdb8be8ed36d46f1cb82722490da71\" kind=\"function\">\n+ <name>write_xpm</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2matio_8cpp\" kind=\"file\">\n+ <name>matio.cpp</name>\n+ </compound>\n <compound refid=\"matio_8h\" kind=\"file\">\n <name>matio.h</name>\n <member refid=\"matio_8h_1a24594a24b23a8ea2742ccb1e693dddf3\" kind=\"define\">\n <name>MAT_SPATIAL_X</name>\n </member>\n <member refid=\"matio_8h_1af4c5cfad61fbd418d7d4516b032c9232\" kind=\"define\">\n <name>MAT_SPATIAL_Y</name>\n@@ -82988,38 +83210,26 @@\n <member refid=\"md5_8h_1aef110c087a4e55838af70fb379d3f7c1\" kind=\"function\">\n <name>gmx_md5_append</name>\n </member>\n <member refid=\"md5_8h_1a21c99362bb92e38fe3703724a1581ff3\" kind=\"function\">\n <name>gmx_md5_finish</name>\n </member>\n </compound>\n- <compound refid=\"mrcdensitymap_8cpp\" kind=\"file\">\n- <name>mrcdensitymap.cpp</name>\n- </compound>\n- <compound refid=\"tests_2mrcdensitymap_8cpp\" kind=\"file\">\n- <name>mrcdensitymap.cpp</name>\n- </compound>\n <compound refid=\"mrcdensitymap_8h\" kind=\"file\">\n <name>mrcdensitymap.h</name>\n </compound>\n <compound refid=\"mrcdensitymapheader_8cpp\" kind=\"file\">\n <name>mrcdensitymapheader.cpp</name>\n </compound>\n <compound refid=\"tests_2mrcdensitymapheader_8cpp\" kind=\"file\">\n <name>mrcdensitymapheader.cpp</name>\n </compound>\n <compound refid=\"mrcdensitymapheader_8h\" kind=\"file\">\n <name>mrcdensitymapheader.h</name>\n </compound>\n- <compound refid=\"mrcserializer_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@@ -83180,89 +83390,14 @@\n <member 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<name>tng_trajectory_t</name>\n@@ -84152,44 +83678,14 @@\n <member refid=\"tngio_8cpp_1ae0c553af8b51563895d31e96fcba20ae\" kind=\"function\">\n <name>gmx_tng_get_box_output_interval</name>\n </member>\n <member refid=\"tngio_8cpp_1a17b4e68ebc8aef0d0a773ba09f3cc433\" kind=\"function\">\n <name>gmx_tng_get_lambda_output_interval</name>\n </member>\n </compound>\n- <compound refid=\"xvgio_8cpp\" kind=\"file\">\n- <name>xvgio.cpp</name>\n- </compound>\n- <compound refid=\"timecontrol_8h\" kind=\"file\">\n- <name>timecontrol.h</name>\n- <member refid=\"timecontrol_8h_1ace22dca5f1716b5f2ff36e64ed58c2b2\" kind=\"enum\">\n- <name>TimeControl</name>\n- </member>\n- <member refid=\"timecontrol_8h_1ace22dca5f1716b5f2ff36e64ed58c2b2a1a06729125544cab7cee73195fc044f0\" kind=\"enumvalue\">\n- <name>Begin</name>\n- </member>\n- <member refid=\"timecontrol_8h_1ace22dca5f1716b5f2ff36e64ed58c2b2a87557f11575c0ad78e4e28abedc13b6e\" kind=\"enumvalue\">\n- <name>End</name>\n- </member>\n- <member refid=\"timecontrol_8h_1ace22dca5f1716b5f2ff36e64ed58c2b2adb1f4ab5845def61a83d5df13e0c2397\" kind=\"enumvalue\">\n- <name>Delta</name>\n- </member>\n- <member refid=\"timecontrol_8h_1ace22dca5f1716b5f2ff36e64ed58c2b2ae93f994f01c537c4e2f7d8528c3eb5e9\" kind=\"enumvalue\">\n- <name>Count</name>\n- </member>\n- <member refid=\"timecontrol_8h_1a367f6ebee9e057f5f1ed5c5a14597b3a\" kind=\"function\">\n- <name>timeValue</name>\n- </member>\n- <member refid=\"timecontrol_8h_1a0cb8ede6b554538731124f8a1113b6b0\" kind=\"function\">\n- <name>setTimeValue</name>\n- </member>\n- <member refid=\"timecontrol_8h_1a568ef2f06c5d9a73cbcc965c29cb32ab\" kind=\"function\">\n- <name>unsetTimeValue</name>\n- </member>\n- </compound>\n <compound refid=\"tngio_8h\" kind=\"file\">\n <name>tngio.h</name>\n <member refid=\"tngio_8h_1aa8040284047b241227c9b700618bd9a7\" kind=\"typedef\">\n <name>gmx_tng_trajectory_t</name>\n </member>\n <member refid=\"tngio_8h_1ac77421ecbf005561a688b3a693dc26cc\" kind=\"function\">\n <name>gmx_tng_open</name>\n@@ -87569,47 +87065,14 @@\n <member refid=\"gmx__mdmat_8cpp_1aa58ab56e900d80063580282dd2acb397\" kind=\"function\">\n <name>tot_nmat</name>\n </member>\n <member refid=\"gmx__mdmat_8cpp_1a277b7f873129192b1f336a03676a3003\" kind=\"function\">\n <name>gmx_mdmat</name>\n </member>\n </compound>\n- <compound refid=\"gmx__mindist_8cpp\" kind=\"file\">\n- <name>gmx_mindist.cpp</name>\n- <member refid=\"gmx__mindist_8cpp_1a5b67f7ed161ffa5ebb100aab07a34f38\" kind=\"define\">\n- <name>NSHIFT_MAX</name>\n- </member>\n- <member refid=\"gmx__mindist_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n- <name>NFILE</name>\n- </member>\n- <member refid=\"gmx__mindist_8cpp_1ad93d0dc70833e4cf04688539b43cae52\" kind=\"function\">\n- <name>periodic_dist</name>\n- </member>\n- <member refid=\"gmx__mindist_8cpp_1a80c8dc6e92df54173554e94df51b53ce\" kind=\"function\">\n- <name>periodic_mindist_plot</name>\n- </member>\n- <member refid=\"gmx__mindist_8cpp_1a1945c8b789d019f62e778f55cededccf\" kind=\"function\">\n- <name>calc_dist</name>\n- </member>\n- <member refid=\"gmx__mindist_8cpp_1a3d6c0a6b1127bd0db2ec73634767d4c4\" kind=\"function\">\n- <name>dist_plot</name>\n- </member>\n- <member refid=\"gmx__mindist_8cpp_1a1f7a5c0800d211566b73b300e144034a\" kind=\"function\">\n- <name>find_residues</name>\n- </member>\n- <member refid=\"gmx__mindist_8cpp_1aa995b842a3a4e7136f84f8e5718cd747\" kind=\"function\">\n- <name>dump_res</name>\n- </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@@ -89171,14 +88634,47 @@\n <member refid=\"gmx__chi_8cpp_1ad7fe7319f03eb4bb0dcbc068ed192ba3\" kind=\"function\">\n <name>gmx_chi</name>\n </member>\n </compound>\n <compound refid=\"tests_2gmx__chi_8cpp\" kind=\"file\">\n <name>gmx_chi.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\" kind=\"define\">\n+ <name>NSHIFT_MAX</name>\n+ </member>\n+ <member refid=\"gmx__mindist_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n+ <name>NFILE</name>\n+ </member>\n+ <member refid=\"gmx__mindist_8cpp_1ad93d0dc70833e4cf04688539b43cae52\" kind=\"function\">\n+ <name>periodic_dist</name>\n+ </member>\n+ <member refid=\"gmx__mindist_8cpp_1a80c8dc6e92df54173554e94df51b53ce\" kind=\"function\">\n+ <name>periodic_mindist_plot</name>\n+ </member>\n+ <member refid=\"gmx__mindist_8cpp_1a1945c8b789d019f62e778f55cededccf\" kind=\"function\">\n+ <name>calc_dist</name>\n+ </member>\n+ <member refid=\"gmx__mindist_8cpp_1a3d6c0a6b1127bd0db2ec73634767d4c4\" kind=\"function\">\n+ <name>dist_plot</name>\n+ </member>\n+ <member refid=\"gmx__mindist_8cpp_1a1f7a5c0800d211566b73b300e144034a\" kind=\"function\">\n+ <name>find_residues</name>\n+ </member>\n+ <member refid=\"gmx__mindist_8cpp_1aa995b842a3a4e7136f84f8e5718cd747\" kind=\"function\">\n+ <name>dump_res</name>\n+ </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=\"thermochemistry_8cpp\" kind=\"file\">\n <name>thermochemistry.cpp</name>\n <member refid=\"thermochemistry_8cpp_1afc7d98bd66f32ce4d86bd4036f675ae3\" kind=\"function\">\n <name>eigenvalueToFrequency</name>\n </member>\n <member refid=\"thermochemistry_8cpp_1a094b8991b247289b362ebac6cedd4d95\" kind=\"function\">\n <name>calcZeroPointEnergy</name>\n@@ -89312,53 +88808,14 @@\n <member refid=\"network_8h_1a56f020290f96e39362aed68b62efa7c4\" kind=\"function\">\n <name>opt2fn_main</name>\n </member>\n <member refid=\"network_8h_1a5cb9535957d30ddd7afe311db43e30e2\" kind=\"function\">\n <name>gmx_fatal_collective</name>\n </member>\n </compound>\n- <compound refid=\"nb__free__energy_8h\" kind=\"file\">\n- <name>nb_free_energy.h</name>\n- <member refid=\"nb__free__energy_8h_1a5fb4808bddfe38d0c4c63e9ec0f3721b\" kind=\"function\">\n- <name>gmx_nb_free_energy_kernel</name>\n- </member>\n- </compound>\n- <compound refid=\"nb__softcore_8h\" kind=\"file\">\n- <name>nb_softcore.h</name>\n- <member refid=\"nb__softcore_8h_1aba1769ae446f1957210198f55a406ace\" kind=\"function\">\n- <name>quadraticApproximationCoulomb</name>\n- </member>\n- <member 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refid=\"nonbonded_8h_1aac85209a6ce4f04df1cf4b7f5f839ee7\" kind=\"define\">\n- <name>GMX_NONBONDED_DO_POTENTIAL</name>\n- </member>\n- <member refid=\"nonbonded_8h_1a2efab91d615a95f82d5fa646f52c8a7a\" kind=\"define\">\n- <name>GMX_NONBONDED_DO_SR</name>\n- </member>\n- </compound>\n <compound refid=\"nb__free__energy_8cpp\" kind=\"file\">\n <name>nb_free_energy.cpp</name>\n <member refid=\"nb__free__energy_8cpp_1a6e61a5812c9a549418a1710251f467b7\" kind=\"define\">\n <name>STATE_A</name>\n </member>\n <member refid=\"nb__free__energy_8cpp_1a43e0f8bc290fc15f4e8e92709bf1a411\" kind=\"define\">\n <name>STATE_B</name>\n@@ -89468,14 +88925,53 @@\n <member refid=\"nb__free__energy_8cpp_1afbe2bbaa540cae0fa5cd5a8a11f5d581\" kind=\"function\">\n <name>gmx_nb_free_energy_kernel</name>\n </member>\n </compound>\n <compound refid=\"tests_2nb__free__energy_8cpp\" kind=\"file\">\n <name>nb_free_energy.cpp</name>\n </compound>\n+ <compound refid=\"nb__free__energy_8h\" kind=\"file\">\n+ <name>nb_free_energy.h</name>\n+ <member refid=\"nb__free__energy_8h_1a5fb4808bddfe38d0c4c63e9ec0f3721b\" kind=\"function\">\n+ <name>gmx_nb_free_energy_kernel</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"nb__softcore_8h\" kind=\"file\">\n+ <name>nb_softcore.h</name>\n+ <member refid=\"nb__softcore_8h_1aba1769ae446f1957210198f55a406ace\" kind=\"function\">\n+ <name>quadraticApproximationCoulomb</name>\n+ </member>\n+ <member refid=\"nb__softcore_8h_1a6a8eefecccf2a4323b80520490649b7c\" kind=\"function\">\n+ <name>reactionFieldQuadraticPotential</name>\n+ </member>\n+ <member refid=\"nb__softcore_8h_1a519184367f6cab91f5449ff38f7ca1d0\" kind=\"function\">\n+ <name>ewaldQuadraticPotential</name>\n+ </member>\n+ <member refid=\"nb__softcore_8h_1a9b3ad2679a873035b1c5cb3dd96a93f2\" kind=\"function\">\n+ <name>lennardJonesQuadraticPotential</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"nonbonded_8h\" kind=\"file\">\n+ <name>nonbonded.h</name>\n+ <member refid=\"nonbonded_8h_1a379121a934185071f7b2fa972a37ad56\" kind=\"define\">\n+ <name>GMX_NONBONDED_DO_FORCE</name>\n+ </member>\n+ <member refid=\"nonbonded_8h_1a5e1835bca70136c081754020626b1c10\" kind=\"define\">\n+ <name>GMX_NONBONDED_DO_SHIFTFORCE</name>\n+ </member>\n+ <member refid=\"nonbonded_8h_1af539f5e81142a5b0413e29b77a648e3b\" kind=\"define\">\n+ <name>GMX_NONBONDED_DO_FOREIGNLAMBDA</name>\n+ </member>\n+ <member refid=\"nonbonded_8h_1aac85209a6ce4f04df1cf4b7f5f839ee7\" kind=\"define\">\n+ <name>GMX_NONBONDED_DO_POTENTIAL</name>\n+ </member>\n+ <member refid=\"nonbonded_8h_1a2efab91d615a95f82d5fa646f52c8a7a\" kind=\"define\">\n+ <name>GMX_NONBONDED_DO_SR</name>\n+ </member>\n+ </compound>\n <compound refid=\"nrnb_8cpp\" kind=\"file\">\n <name>nrnb.cpp</name>\n <member refid=\"nrnb_8cpp_1af3f4635201e0ac9a9d035a9b7b7ecdcd\" kind=\"variable\">\n <name>nbdata</name>\n </member>\n <member refid=\"nrnb_8cpp_1aa07e25d4288e5c93712c65b183a4645a\" kind=\"function\">\n <name>pr_two</name>\n@@ -90017,71 +89513,53 @@\n </compound>\n <compound refid=\"calch_8h\" kind=\"file\">\n <name>calch.h</name>\n <member refid=\"calch_8h_1af7da6aba1d3f97934ed464fbfa85cca0\" kind=\"function\">\n <name>calc_h_pos</name>\n </member>\n </compound>\n- <compound refid=\"convparm_8h\" kind=\"file\">\n- <name>convparm.h</name>\n- <member refid=\"convparm_8h_1a62d8f954c2371f347079206d96cacb71\" kind=\"function\">\n- <name>shouldConvertInteractionType</name>\n- </member>\n- <member refid=\"convparm_8h_1a1a90011de74cbb27d06ad8843b6a2c39\" kind=\"function\">\n- <name>convertInteractionsOfType</name>\n- </member>\n- </compound>\n- <compound refid=\"editconf_8cpp\" kind=\"file\">\n- <name>editconf.cpp</name>\n- <member refid=\"editconf_8cpp_1ab70d4725699c0935e4847676027e7820\" kind=\"define\">\n- <name>NPA</name>\n- </member>\n- <member refid=\"editconf_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n- <name>NFILE</name>\n- </member>\n- <member 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refid=\"convparm_8cpp_1a8eba9d3de3d2622ea37512003116365e\" kind=\"function\">\n+ <name>assign_param</name>\n </member>\n- <member refid=\"editconf_8cpp_1aa5b16e34fd7692a4644510a0e008071e\" kind=\"function\">\n- <name>set_pdb_conf_bfac</name>\n+ <member refid=\"convparm_8cpp_1ab7ae27970184042a7b31d25cd5533521\" kind=\"function\">\n+ <name>enter_params</name>\n </member>\n- <member refid=\"editconf_8cpp_1afdba71eabcffba604feeaac044086614\" kind=\"function\">\n- <name>pdb_legend</name>\n+ <member refid=\"convparm_8cpp_1acbdf676dff3ade5d6a6fcb257faa662e\" kind=\"function\">\n+ <name>append_interaction</name>\n </member>\n- <member refid=\"editconf_8cpp_1a7bde7a0e244468e79890c2dea9699105\" kind=\"function\">\n- <name>visualize_images</name>\n+ <member refid=\"convparm_8cpp_1afbb0b58da4942bed21769448e560a441\" kind=\"function\">\n+ <name>enter_function</name>\n </member>\n- <member refid=\"editconf_8cpp_1ad7de6e9d8031e7a850de33e06750f993\" kind=\"function\">\n- <name>visualize_box</name>\n+ <member refid=\"convparm_8cpp_1a62d8f954c2371f347079206d96cacb71\" kind=\"function\">\n+ <name>shouldConvertInteractionType</name>\n </member>\n- <member refid=\"editconf_8cpp_1ae75d224efa73d7c06756d4e258b907f0\" kind=\"function\">\n- <name>calc_rotmatrix</name>\n+ <member refid=\"convparm_8cpp_1a1a90011de74cbb27d06ad8843b6a2c39\" kind=\"function\">\n+ <name>convertInteractionsOfType</name>\n </member>\n- <member refid=\"editconf_8cpp_1a0574a5727dc7f2a0c7f905c4281aa283\" kind=\"function\">\n- <name>renum_resnr</name>\n+ </compound>\n+ <compound refid=\"tests_2convparm_8cpp\" kind=\"file\">\n+ <name>convparm.cpp</name>\n+ </compound>\n+ <compound refid=\"convparm_8h\" kind=\"file\">\n+ <name>convparm.h</name>\n+ <member refid=\"convparm_8h_1a62d8f954c2371f347079206d96cacb71\" kind=\"function\">\n+ <name>shouldConvertInteractionType</name>\n </member>\n- <member refid=\"editconf_8cpp_1aac7d76da29a5aa9d25ad34662c59bcea\" kind=\"function\">\n- <name>gmx_editconf</name>\n+ <member refid=\"convparm_8h_1a1a90011de74cbb27d06ad8843b6a2c39\" kind=\"function\">\n+ <name>convertInteractionsOfType</name>\n </member>\n </compound>\n- <compound refid=\"tests_2editconf_8cpp\" kind=\"file\">\n- <name>editconf.cpp</name>\n- </compound>\n <compound refid=\"editconf_8h\" kind=\"file\">\n <name>editconf.h</name>\n <member refid=\"editconf_8h_1aac7d76da29a5aa9d25ad34662c59bcea\" kind=\"function\">\n <name>gmx_editconf</name>\n </member>\n </compound>\n <compound refid=\"fflibutil_8cpp\" kind=\"file\">\n@@ -90386,14 +89864,29 @@\n <member refid=\"gen__vsite_8h_1afeb485013b0b6c3d72ac81206619b3e6\" kind=\"function\">\n <name>do_vsites</name>\n </member>\n <member refid=\"gen__vsite_8h_1a3d5c9031fc9e1803f6459cbd57d52245\" kind=\"function\">\n <name>do_h_mass</name>\n </member>\n </compound>\n+ <compound refid=\"genconf_8cpp\" kind=\"file\">\n+ <name>genconf.cpp</name>\n+ <member refid=\"genconf_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n+ <name>NFILE</name>\n+ </member>\n+ <member refid=\"genconf_8cpp_1a22f27a20d6a7f343aa7298a4883864ab\" kind=\"function\">\n+ <name>rand_rot</name>\n+ </member>\n+ <member refid=\"genconf_8cpp_1a1871b9d701e329734f0bb8b82b16ab09\" kind=\"function\">\n+ <name>gmx_genconf</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2genconf_8cpp\" kind=\"file\">\n+ <name>genconf.cpp</name>\n+ </compound>\n <compound refid=\"genconf_8h\" kind=\"file\">\n <name>genconf.h</name>\n <member refid=\"genconf_8h_1a1871b9d701e329734f0bb8b82b16ab09\" kind=\"function\">\n <name>gmx_genconf</name>\n </member>\n </compound>\n <compound refid=\"genhydro_8cpp\" kind=\"file\">\n@@ -90434,68 +89927,20 @@\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 refid=\"genion_8cpp_1ad0e4fca72d0601f69f79b1950ce02008\" kind=\"function\">\n- <name>insert_ion</name>\n- </member>\n- <member refid=\"genion_8cpp_1a592b661f8e6a4fc3120cc7b459226a8f\" kind=\"function\">\n- <name>aname</name>\n- </member>\n- <member refid=\"genion_8cpp_1a9ebc45f9635d35efc7b1d2fb36642330\" kind=\"function\">\n- <name>sort_ions</name>\n- </member>\n- <member refid=\"genion_8cpp_1a0c1156ade60e4ab57ba686e75364f09f\" kind=\"function\">\n- <name>update_topol</name>\n- </member>\n- <member refid=\"genion_8cpp_1a712596338c1cb9bbb5d950530125ed57\" kind=\"function\">\n- <name>invertIndexGroup</name>\n- </member>\n- <member refid=\"genion_8cpp_1a0029a4995091766f1b6f8bc43a9545ae\" kind=\"function\">\n- <name>gmx_genion</name>\n- </member>\n- </compound>\n- <compound refid=\"tests_2genion_8cpp\" kind=\"file\">\n- <name>genion.cpp</name>\n- </compound>\n <compound refid=\"genion_8h\" kind=\"file\">\n <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 </member>\n </compound>\n <compound refid=\"gmxcpp_8cpp\" kind=\"file\">\n@@ -90629,14 +90074,23 @@\n <member refid=\"gmxcpp_8h_1a9927ed498f6afa10dbb75b5dac721487\" kind=\"function\">\n <name>cpp_error</name>\n </member>\n <member refid=\"gmxcpp_8h_1aeae6c0574352a05649a344de5a38c911\" kind=\"function\">\n <name>checkAndWarnForUnusedDefines</name>\n </member>\n </compound>\n+ <compound refid=\"gpp__atomtype_8cpp\" kind=\"file\">\n+ <name>gpp_atomtype.cpp</name>\n+ <member refid=\"gpp__atomtype_8cpp_1a2ab48fac86e5c852d32e3b9703002843\" kind=\"function\">\n+ <name>search_atomtypes</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2gpp__atomtype_8cpp\" kind=\"file\">\n+ <name>gpp_atomtype.cpp</name>\n+ </compound>\n <compound refid=\"gpp__atomtype_8h\" kind=\"file\">\n <name>gpp_atomtype.h</name>\n </compound>\n <compound refid=\"gpp__bond__atomtype_8h\" kind=\"file\">\n <name>gpp_bond_atomtype.h</name>\n </compound>\n <compound refid=\"gpp__nextnb_8cpp\" kind=\"file\">\n@@ -90695,125 +90149,14 @@\n <member refid=\"gpp__nextnb_8h_1a59923f387f5c4e96700e16d99970e880\" kind=\"function\">\n <name>gen_nnb</name>\n </member>\n <member refid=\"gpp__nextnb_8h_1ae7288809b694e9ab5c66abf7f763c6a7\" kind=\"function\">\n <name>generate_excl</name>\n </member>\n </compound>\n- <compound refid=\"gromacs_2gmxpreprocess_2grompp_8cpp\" kind=\"file\">\n- <name>grompp.cpp</name>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n- <name>NFILE</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1a1ca1b9971259e9f0a237f99a729f4d5d\" kind=\"function\">\n- <name>rm_interactions</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1ae0f1bf97a6303fd0aafc9c10b1104df8\" kind=\"function\">\n- <name>check_atom_names</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1a2c5099360e8fbb0a775275547561bc69\" kind=\"function\">\n- <name>check_bonds_timestep</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1a050457c3f9eaba7eedd3b3ba19b47a13\" kind=\"function\">\n- <name>check_vel</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1aec1d6c90634d05952147ad60d9256175\" kind=\"function\">\n- <name>check_shells_inputrec</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1aed99bf9ac99c9e02fd8c42b874ed5d34\" kind=\"function\">\n- <name>nint_ftype</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1a946ae01868d285668342d8f134e0fa76\" kind=\"function\">\n- <name>renumber_moltypes</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1a53b21f813783d023c27a44c839cc769e\" kind=\"function\">\n- <name>molinfo2mtop</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1a355393ed5bb887a47433a1fcfc69509b\" kind=\"function\">\n- <name>new_status</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1aa7045608fe2f4d2f9d9ad2ff84c25227\" kind=\"function\">\n- <name>copy_state</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1a99312d383145bd1c6d75caabbb8f9f94\" kind=\"function\">\n- <name>cont_status</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1a3c1cf0d75bda4eed0ba9bb2540c4d0d9\" kind=\"function\">\n- <name>read_posres</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1a9a9806993744503bc135c00b9fbd521f\" kind=\"function\">\n- <name>sumComForRestraints</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1ae66d2f8763a78c88042978549bd9e71c\" kind=\"function\">\n- <name>subComFromRestraints</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1a5c36532d217b920c9dda8882fc88db54\" kind=\"function\">\n- <name>calcPosresCom</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1ad820f716a1368c44b746f5df166cc0e6\" kind=\"function\">\n- <name>gen_posres</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1aad0e0b8e9fc901badd9ea61dafe17e18\" kind=\"function\">\n- <name>set_wall_atomtype</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1aa922beb52bb34db67523b10eb4faf4d0\" kind=\"function\">\n- <name>nrdf_internal</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1ad3e87bf56d6883739179b6690f6c9b2f\" kind=\"function\">\n- <name>spline1d</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1a9055fb2f0b68bd1a2e59b40f2edc9105\" kind=\"function\">\n- <name>interpolate1d</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1a01bcaa069bd2a1939113ad5e92c5febb\" kind=\"function\">\n- <name>setup_cmap</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1ab8dd5df9b8aebce6b0ea524a4e8f5e89\" kind=\"function\">\n- <name>init_cmap_grid</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1a4f626cdb64c5163da9222e05226f015a\" kind=\"function\">\n- <name>count_constraints</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1ad8e4f118d0542c956688e9ef1a7eea74\" kind=\"function\">\n- <name>calc_temp</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1aa948a402d761047dbf5e0592cf901065\" kind=\"function\">\n- <name>get_max_reference_temp</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1a2d42c7f59fefb6d7cb2691c144f57bad\" kind=\"function\">\n- <name>checkForUnboundAtoms</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1adbe38c1869135d5423a016c7a2ac67ae\" kind=\"function\">\n- <name>checkForUnboundAtoms</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1a8f8d3af8edc4ad4508628893c50dfce5\" kind=\"function\">\n- <name>haveDecoupledModeInMol</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1a52d61a0a67e07074b5c830638fbc2e13\" kind=\"function\">\n- <name>checkDecoupledModeAccuracy</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1a40f2014be1a2b7b12f99c9448a6671ab\" kind=\"function\">\n- <name>set_verlet_buffer</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1a27363c75e0ce0e1c4e795b28eb99b5c7\" kind=\"function\">\n- <name>maxNonPerturbedExclusionDistance</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1a36b0288bcf1723e56fcd12b3e102d93f\" kind=\"function\">\n- <name>checkExclusionDistances</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1a474ee183069523899019f7f451505d4a\" kind=\"function\">\n- <name>deformInitFlow</name>\n- </member>\n- <member refid=\"gromacs_2gmxpreprocess_2grompp_8cpp_1abf49f1a613ed3f5e0300fcf21e570f58\" kind=\"function\">\n- <name>gmx_grompp</name>\n- </member>\n- </compound>\n- <compound refid=\"programs_2mdrun_2tests_2grompp_8cpp\" kind=\"file\">\n- <name>grompp.cpp</name>\n- </compound>\n <compound refid=\"grompp_8h\" kind=\"file\">\n <name>grompp.h</name>\n <member refid=\"grompp_8h_1abf49f1a613ed3f5e0300fcf21e570f58\" kind=\"function\">\n <name>gmx_grompp</name>\n </member>\n </compound>\n <compound refid=\"grompp__impl_8h\" kind=\"file\">\n@@ -90986,14 +90329,50 @@\n </compound>\n <compound refid=\"hizzie_8h\" kind=\"file\">\n <name>hizzie.h</name>\n <member refid=\"hizzie_8h_1ad6b814c4d960705e883d310a16052162\" kind=\"function\">\n <name>set_histp</name>\n </member>\n </compound>\n+ <compound refid=\"insert__molecules_8cpp\" kind=\"file\">\n+ <name>insert_molecules.cpp</name>\n+ <member refid=\"insert__molecules_8cpp_1a2c7700557eccb4d31ef2c21fc354e31d\" kind=\"enum\">\n+ <name>RotationType</name>\n+ </member>\n+ <member refid=\"insert__molecules_8cpp_1a2c7700557eccb4d31ef2c21fc354e31dae65075d550f9b5bf9992fa1d71a131be\" kind=\"enumvalue\">\n+ <name>XYZ</name>\n+ </member>\n+ <member refid=\"insert__molecules_8cpp_1a2c7700557eccb4d31ef2c21fc354e31da21c2e59531c8710156d34a3c30ac81d5\" kind=\"enumvalue\">\n+ <name>Z</name>\n+ </member>\n+ <member refid=\"insert__molecules_8cpp_1a2c7700557eccb4d31ef2c21fc354e31da6adf97f83acf6453d4a6a4b1070f3754\" kind=\"enumvalue\">\n+ <name>None</name>\n+ </member>\n+ <member refid=\"insert__molecules_8cpp_1a2c7700557eccb4d31ef2c21fc354e31dae93f994f01c537c4e2f7d8528c3eb5e9\" kind=\"enumvalue\">\n+ <name>Count</name>\n+ </member>\n+ <member refid=\"insert__molecules_8cpp_1afb167a33d6f304f452de0183f0dc19e3\" kind=\"variable\">\n+ <name>c_rotationTypeNames</name>\n+ </member>\n+ <member refid=\"insert__molecules_8cpp_1a84bff43823fda0e3866a54c3c5f7cf7f\" kind=\"function\">\n+ <name>center_molecule</name>\n+ </member>\n+ <member refid=\"insert__molecules_8cpp_1a68d664a59971a52d7f958e6c936bc1ad\" kind=\"function\">\n+ <name>generate_trial_conf</name>\n+ </member>\n+ <member refid=\"insert__molecules_8cpp_1a77e7cdb7f79eb11a941af7630e7394a1\" kind=\"function\">\n+ <name>isInsertionAllowed</name>\n+ </member>\n+ <member refid=\"insert__molecules_8cpp_1a6cfda6d1753fa4b4713242bfee5b9d72\" kind=\"function\">\n+ <name>insert_mols</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2insert__molecules_8cpp\" kind=\"file\">\n+ <name>insert_molecules.cpp</name>\n+ </compound>\n <compound refid=\"insert__molecules_8h\" kind=\"file\">\n <name>insert_molecules.h</name>\n </compound>\n <compound refid=\"makeexclusiondistances_8cpp\" kind=\"file\">\n <name>makeexclusiondistances.cpp</name>\n <member refid=\"makeexclusiondistances_8cpp_1ac6c1fd7ee9bb7cb224b1d7513b20c8d0\" kind=\"function\">\n <name>makeExclusionDistances</name>\n@@ -91607,14 +90986,53 @@\n <member refid=\"resall_8h_1a50a12a882cf1a437fca36c47ce6d23d1\" kind=\"function\">\n <name>readResidueDatabase</name>\n </member>\n <member refid=\"resall_8h_1afbd28b7c0e308005c53b31f428715e5e\" kind=\"function\">\n <name>print_resall</name>\n </member>\n </compound>\n+ <compound refid=\"solvate_8cpp\" kind=\"file\">\n+ <name>solvate.cpp</name>\n+ <member refid=\"solvate_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n+ <name>NFILE</name>\n+ </member>\n+ <member refid=\"solvate_8cpp_1a796ba2efb645a93a7eec5fe232fd6d23\" kind=\"function\">\n+ <name>sort_molecule</name>\n+ </member>\n+ <member refid=\"solvate_8cpp_1aa6b5d5c072fdb10c595058cb5391945f\" kind=\"function\">\n+ <name>rm_res_pbc</name>\n+ </member>\n+ <member refid=\"solvate_8cpp_1a7d26b6109ee27ace95e17c74708785aa\" kind=\"function\">\n+ <name>replicateSolventBox</name>\n+ </member>\n+ <member refid=\"solvate_8cpp_1a044979f032705894fdcd99296c7728c3\" kind=\"function\">\n+ <name>removeSolventBoxOverlap</name>\n+ </member>\n+ <member refid=\"solvate_8cpp_1af65b3ad1749f4e133c73f169fd077e5d\" kind=\"function\">\n+ <name>removeSolventOutsideShell</name>\n+ </member>\n+ <member refid=\"solvate_8cpp_1ad4104480307f22a6f0c1374c9a7e7870\" kind=\"function\">\n+ <name>removeSolventOverlappingWithSolute</name>\n+ </member>\n+ <member refid=\"solvate_8cpp_1aa09a33d876ff90e57e6f5f80462749f9\" kind=\"function\">\n+ <name>removeExtraSolventMolecules</name>\n+ </member>\n+ <member refid=\"solvate_8cpp_1a136dcaa996fc7900a54a1c6a20db392e\" kind=\"function\">\n+ <name>add_solv</name>\n+ </member>\n+ <member refid=\"solvate_8cpp_1aa203e60ce9cba1b23a3c2477abf906b9\" kind=\"function\">\n+ <name>update_top</name>\n+ </member>\n+ <member refid=\"solvate_8cpp_1a455eb9d4dd00278b9c05c9aaacc81ad6\" kind=\"function\">\n+ <name>gmx_solvate</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2solvate_8cpp\" kind=\"file\">\n+ <name>solvate.cpp</name>\n+ </compound>\n <compound refid=\"solvate_8h\" kind=\"file\">\n <name>solvate.h</name>\n <member refid=\"solvate_8h_1a455eb9d4dd00278b9c05c9aaacc81ad6\" kind=\"function\">\n <name>gmx_solvate</name>\n </member>\n </compound>\n <compound refid=\"specbond_8cpp\" kind=\"file\">\n@@ -91703,152 +91121,140 @@\n <member refid=\"ter__db_8h_1af169aeff76251c88472edfbd83e9a4fe\" kind=\"function\">\n <name>filter_ter</name>\n </member>\n <member refid=\"ter__db_8h_1a55ce9712e17d4916742f198a941739ba\" kind=\"function\">\n <name>choose_ter</name>\n </member>\n </compound>\n- <compound refid=\"convparm_8cpp\" kind=\"file\">\n- <name>convparm.cpp</name>\n- <member refid=\"convparm_8cpp_1afcbb621f42dd404d755889586608e0cb\" kind=\"function\">\n- <name>round_check</name>\n+ <compound refid=\"editconf_8cpp\" kind=\"file\">\n+ <name>editconf.cpp</name>\n+ <member refid=\"editconf_8cpp_1ab70d4725699c0935e4847676027e7820\" kind=\"define\">\n+ <name>NPA</name>\n </member>\n- <member refid=\"convparm_8cpp_1a8ff8fcbe6ff15a6dfa1565a2cff5c07c\" kind=\"function\">\n- <name>set_ljparams</name>\n+ <member refid=\"editconf_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n+ <name>NFILE</name>\n </member>\n- <member refid=\"convparm_8cpp_1a8eba9d3de3d2622ea37512003116365e\" kind=\"function\">\n- <name>assign_param</name>\n+ <member refid=\"editconf_8cpp_1a38ee046e27d6491e61b2012c65581607\" kind=\"function\">\n+ <name>calc_mass</name>\n </member>\n- <member refid=\"convparm_8cpp_1ab7ae27970184042a7b31d25cd5533521\" kind=\"function\">\n- <name>enter_params</name>\n+ <member refid=\"editconf_8cpp_1a8a975d712753737b20f3afa3f7d61747\" kind=\"function\">\n+ <name>calc_geom</name>\n </member>\n- <member refid=\"convparm_8cpp_1acbdf676dff3ade5d6a6fcb257faa662e\" kind=\"function\">\n- <name>append_interaction</name>\n+ <member refid=\"editconf_8cpp_1a75290ce07158cdb972a3bc8ec967d478\" kind=\"function\">\n+ <name>center_conf</name>\n </member>\n- <member refid=\"convparm_8cpp_1afbb0b58da4942bed21769448e560a441\" kind=\"function\">\n- <name>enter_function</name>\n+ <member refid=\"editconf_8cpp_1a96713aa6a22d50cfede74a3666e16db8\" kind=\"function\">\n+ <name>scale_conf</name>\n </member>\n- <member refid=\"convparm_8cpp_1a62d8f954c2371f347079206d96cacb71\" kind=\"function\">\n- <name>shouldConvertInteractionType</name>\n+ <member refid=\"editconf_8cpp_1ac44b90372c8de55bc6ecc61dce5ea0f0\" kind=\"function\">\n+ <name>read_bfac</name>\n </member>\n- <member refid=\"convparm_8cpp_1a1a90011de74cbb27d06ad8843b6a2c39\" kind=\"function\">\n- <name>convertInteractionsOfType</name>\n+ <member refid=\"editconf_8cpp_1aa5b16e34fd7692a4644510a0e008071e\" kind=\"function\">\n+ <name>set_pdb_conf_bfac</name>\n+ </member>\n+ <member refid=\"editconf_8cpp_1afdba71eabcffba604feeaac044086614\" kind=\"function\">\n+ <name>pdb_legend</name>\n+ </member>\n+ <member refid=\"editconf_8cpp_1a7bde7a0e244468e79890c2dea9699105\" kind=\"function\">\n+ <name>visualize_images</name>\n+ </member>\n+ <member refid=\"editconf_8cpp_1ad7de6e9d8031e7a850de33e06750f993\" kind=\"function\">\n+ <name>visualize_box</name>\n+ </member>\n+ <member refid=\"editconf_8cpp_1ae75d224efa73d7c06756d4e258b907f0\" kind=\"function\">\n+ <name>calc_rotmatrix</name>\n+ </member>\n+ <member refid=\"editconf_8cpp_1a0574a5727dc7f2a0c7f905c4281aa283\" kind=\"function\">\n+ <name>renum_resnr</name>\n+ </member>\n+ <member refid=\"editconf_8cpp_1aac7d76da29a5aa9d25ad34662c59bcea\" kind=\"function\">\n+ <name>gmx_editconf</name>\n </member>\n </compound>\n- <compound refid=\"tests_2convparm_8cpp\" kind=\"file\">\n- <name>convparm.cpp</name>\n+ <compound refid=\"tests_2editconf_8cpp\" kind=\"file\">\n+ <name>editconf.cpp</name>\n </compound>\n- <compound refid=\"genconf_8cpp\" kind=\"file\">\n- <name>genconf.cpp</name>\n- <member refid=\"genconf_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n+ <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=\"genconf_8cpp_1a22f27a20d6a7f343aa7298a4883864ab\" kind=\"function\">\n- <name>rand_rot</name>\n+ <member refid=\"genion_8cpp_1a34d5f00766619bdb7693dc6903c10a76\" kind=\"function\">\n+ <name>groupsCloserThanCutoffWithPbc</name>\n </member>\n- <member refid=\"genconf_8cpp_1a1871b9d701e329734f0bb8b82b16ab09\" kind=\"function\">\n- <name>gmx_genconf</name>\n+ <member refid=\"genion_8cpp_1a9620908c96f01a54de6801be59e81960\" kind=\"function\">\n+ <name>solventMoleculeIndices</name>\n+ </member>\n+ <member refid=\"genion_8cpp_1ad0e4fca72d0601f69f79b1950ce02008\" kind=\"function\">\n+ <name>insert_ion</name>\n+ </member>\n+ <member refid=\"genion_8cpp_1a592b661f8e6a4fc3120cc7b459226a8f\" kind=\"function\">\n+ <name>aname</name>\n+ </member>\n+ <member refid=\"genion_8cpp_1a9ebc45f9635d35efc7b1d2fb36642330\" kind=\"function\">\n+ <name>sort_ions</name>\n+ </member>\n+ <member refid=\"genion_8cpp_1a0c1156ade60e4ab57ba686e75364f09f\" kind=\"function\">\n+ <name>update_topol</name>\n+ </member>\n+ <member refid=\"genion_8cpp_1a712596338c1cb9bbb5d950530125ed57\" kind=\"function\">\n+ <name>invertIndexGroup</name>\n+ </member>\n+ <member refid=\"genion_8cpp_1a0029a4995091766f1b6f8bc43a9545ae\" kind=\"function\">\n+ <name>gmx_genion</name>\n </member>\n </compound>\n- <compound refid=\"tests_2genconf_8cpp\" kind=\"file\">\n- <name>genconf.cpp</name>\n+ <compound refid=\"tests_2genion_8cpp\" kind=\"file\">\n+ <name>genion.cpp</name>\n </compound>\n- <compound refid=\"gpp__atomtype_8cpp\" kind=\"file\">\n- <name>gpp_atomtype.cpp</name>\n- <member refid=\"gpp__atomtype_8cpp_1a2ab48fac86e5c852d32e3b9703002843\" kind=\"function\">\n- <name>search_atomtypes</name>\n+ <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_2gpp__atomtype_8cpp\" kind=\"file\">\n- <name>gpp_atomtype.cpp</name>\n+ <compound refid=\"tests_2genrestr_8cpp\" kind=\"file\">\n+ <name>genrestr.cpp</name>\n </compound>\n <compound refid=\"gpp__bond__atomtype_8cpp\" kind=\"file\">\n <name>gpp_bond_atomtype.cpp</name>\n </compound>\n <compound refid=\"tests_2gpp__bond__atomtype_8cpp\" kind=\"file\">\n <name>gpp_bond_atomtype.cpp</name>\n </compound>\n <compound refid=\"grompp__directives_8cpp\" kind=\"file\">\n <name>grompp_directives.cpp</name>\n </compound>\n- <compound refid=\"insert__molecules_8cpp\" kind=\"file\">\n- <name>insert_molecules.cpp</name>\n- <member refid=\"insert__molecules_8cpp_1a2c7700557eccb4d31ef2c21fc354e31d\" kind=\"enum\">\n- <name>RotationType</name>\n- </member>\n- <member refid=\"insert__molecules_8cpp_1a2c7700557eccb4d31ef2c21fc354e31dae65075d550f9b5bf9992fa1d71a131be\" kind=\"enumvalue\">\n- <name>XYZ</name>\n- </member>\n- <member refid=\"insert__molecules_8cpp_1a2c7700557eccb4d31ef2c21fc354e31da21c2e59531c8710156d34a3c30ac81d5\" kind=\"enumvalue\">\n- <name>Z</name>\n- </member>\n- <member refid=\"insert__molecules_8cpp_1a2c7700557eccb4d31ef2c21fc354e31da6adf97f83acf6453d4a6a4b1070f3754\" kind=\"enumvalue\">\n- <name>None</name>\n- </member>\n- <member refid=\"insert__molecules_8cpp_1a2c7700557eccb4d31ef2c21fc354e31dae93f994f01c537c4e2f7d8528c3eb5e9\" kind=\"enumvalue\">\n- <name>Count</name>\n- </member>\n- <member refid=\"insert__molecules_8cpp_1afb167a33d6f304f452de0183f0dc19e3\" kind=\"variable\">\n- <name>c_rotationTypeNames</name>\n- </member>\n- <member refid=\"insert__molecules_8cpp_1a84bff43823fda0e3866a54c3c5f7cf7f\" kind=\"function\">\n- <name>center_molecule</name>\n+ <compound refid=\"tomorse_8cpp\" kind=\"file\">\n+ <name>tomorse.cpp</name>\n+ <member refid=\"tomorse_8cpp_1a49f9ac0e0b195dafac44f351d83be82c\" kind=\"function\">\n+ <name>read_dissociation_energies</name>\n </member>\n- <member refid=\"insert__molecules_8cpp_1a68d664a59971a52d7f958e6c936bc1ad\" kind=\"function\">\n- <name>generate_trial_conf</name>\n+ <member refid=\"tomorse_8cpp_1a91e540f22f3a8a313122518d3f3b7410\" kind=\"function\">\n+ <name>nequal</name>\n </member>\n- <member refid=\"insert__molecules_8cpp_1a77e7cdb7f79eb11a941af7630e7394a1\" kind=\"function\">\n- <name>isInsertionAllowed</name>\n+ <member refid=\"tomorse_8cpp_1aaa0ec48841102f0ed7c10d8f4cdf2d06\" kind=\"function\">\n+ <name>search_e_diss</name>\n </member>\n- <member refid=\"insert__molecules_8cpp_1a6cfda6d1753fa4b4713242bfee5b9d72\" kind=\"function\">\n- <name>insert_mols</name>\n+ <member refid=\"tomorse_8cpp_1a2ce5bfd86cd943ae5baa72962c79585a\" kind=\"function\">\n+ <name>convert_harmonics</name>\n </member>\n </compound>\n- <compound refid=\"tests_2insert__molecules_8cpp\" kind=\"file\">\n- <name>insert_molecules.cpp</name>\n- </compound>\n- <compound refid=\"solvate_8cpp\" kind=\"file\">\n- <name>solvate.cpp</name>\n- <member refid=\"solvate_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n- <name>NFILE</name>\n- </member>\n- <member refid=\"solvate_8cpp_1a796ba2efb645a93a7eec5fe232fd6d23\" kind=\"function\">\n- <name>sort_molecule</name>\n- </member>\n- <member refid=\"solvate_8cpp_1aa6b5d5c072fdb10c595058cb5391945f\" kind=\"function\">\n- <name>rm_res_pbc</name>\n- </member>\n- <member refid=\"solvate_8cpp_1a7d26b6109ee27ace95e17c74708785aa\" kind=\"function\">\n- <name>replicateSolventBox</name>\n- </member>\n- <member refid=\"solvate_8cpp_1a044979f032705894fdcd99296c7728c3\" kind=\"function\">\n- <name>removeSolventBoxOverlap</name>\n- </member>\n- <member refid=\"solvate_8cpp_1af65b3ad1749f4e133c73f169fd077e5d\" kind=\"function\">\n- <name>removeSolventOutsideShell</name>\n- </member>\n- <member refid=\"solvate_8cpp_1ad4104480307f22a6f0c1374c9a7e7870\" kind=\"function\">\n- <name>removeSolventOverlappingWithSolute</name>\n- </member>\n- <member refid=\"solvate_8cpp_1aa09a33d876ff90e57e6f5f80462749f9\" kind=\"function\">\n- <name>removeExtraSolventMolecules</name>\n- </member>\n- <member refid=\"solvate_8cpp_1a136dcaa996fc7900a54a1c6a20db392e\" kind=\"function\">\n- <name>add_solv</name>\n- </member>\n- <member refid=\"solvate_8cpp_1aa203e60ce9cba1b23a3c2477abf906b9\" kind=\"function\">\n- <name>update_top</name>\n- </member>\n- <member refid=\"solvate_8cpp_1a455eb9d4dd00278b9c05c9aaacc81ad6\" kind=\"function\">\n- <name>gmx_solvate</name>\n+ <compound refid=\"tomorse_8h\" kind=\"file\">\n+ <name>tomorse.h</name>\n+ <member refid=\"tomorse_8h_1a2ce5bfd86cd943ae5baa72962c79585a\" kind=\"function\">\n+ <name>convert_harmonics</name>\n </member>\n </compound>\n- <compound refid=\"tests_2solvate_8cpp\" kind=\"file\">\n- <name>solvate.cpp</name>\n- </compound>\n <compound refid=\"tests_2topdirs_8cpp\" kind=\"file\">\n <name>topdirs.cpp</name>\n </compound>\n <compound refid=\"topdirs_8cpp\" kind=\"file\">\n <name>topdirs.cpp</name>\n <member refid=\"topdirs_8cpp_1a71dd50e50b9b14886d041f466048841f\" kind=\"enum\">\n <name>DeprecatedDirectives</name>\n@@ -91901,35 +91307,14 @@\n <member refid=\"topdirs_8cpp_1ac7319c2107ed153afacfc2c707aa9a1b\" kind=\"function\">\n <name>DS_Search</name>\n </member>\n <member refid=\"topdirs_8cpp_1ad4c8fd4cc14cd62151bb6b149038cfb2\" kind=\"function\">\n <name>DS_Check_Order</name>\n </member>\n </compound>\n- <compound refid=\"tomorse_8cpp\" kind=\"file\">\n- <name>tomorse.cpp</name>\n- <member refid=\"tomorse_8cpp_1a49f9ac0e0b195dafac44f351d83be82c\" kind=\"function\">\n- <name>read_dissociation_energies</name>\n- </member>\n- <member refid=\"tomorse_8cpp_1a91e540f22f3a8a313122518d3f3b7410\" kind=\"function\">\n- <name>nequal</name>\n- </member>\n- <member refid=\"tomorse_8cpp_1aaa0ec48841102f0ed7c10d8f4cdf2d06\" kind=\"function\">\n- <name>search_e_diss</name>\n- </member>\n- <member refid=\"tomorse_8cpp_1a2ce5bfd86cd943ae5baa72962c79585a\" kind=\"function\">\n- <name>convert_harmonics</name>\n- </member>\n- </compound>\n- <compound refid=\"tomorse_8h\" kind=\"file\">\n- <name>tomorse.h</name>\n- <member refid=\"tomorse_8h_1a2ce5bfd86cd943ae5baa72962c79585a\" kind=\"function\">\n- <name>convert_harmonics</name>\n- </member>\n- </compound>\n <compound refid=\"topdirs_8h\" kind=\"file\">\n <name>topdirs.h</name>\n <member refid=\"topdirs_8h_1a742010a2348e265ddaa0b9ee879abd94\" kind=\"enum\">\n <name>Directive</name>\n </member>\n <member refid=\"topdirs_8h_1a742010a2348e265ddaa0b9ee879abd94a207894b5945342926a356d70c263bfe1\" kind=\"enumvalue\">\n <name>d_defaults</name>\n@@ -92558,20 +91943,14 @@\n </compound>\n <compound refid=\"device__stream__hip_8cpp\" kind=\"file\">\n <name>device_stream_hip.cpp</name>\n <member refid=\"device__stream__hip_8cpp_1a58108380208933afeae64749e1aec3ea\" kind=\"function\">\n <name>issueClFlushInStream</name>\n </member>\n </compound>\n- <compound refid=\"device__stream__manager_8cpp\" kind=\"file\">\n- <name>device_stream_manager.cpp</name>\n- </compound>\n- <compound refid=\"tests_2device__stream__manager_8cpp\" kind=\"file\">\n- <name>device_stream_manager.cpp</name>\n- </compound>\n <compound refid=\"device__stream__manager_8h\" kind=\"file\">\n <name>device_stream_manager.h</name>\n </compound>\n <compound refid=\"device__stream__ocl_8cpp\" kind=\"file\">\n <name>device_stream_ocl.cpp</name>\n <member refid=\"device__stream__ocl_8cpp_1ab205e2ed9bd8ee2182dd6ec5ab106eb4\" kind=\"function\">\n <name>issueClFlushInStream</name>\n@@ -93251,14 +92630,20 @@\n </compound>\n <compound refid=\"device__availability_8cpp\" kind=\"file\">\n <name>device_availability.cpp</name>\n </compound>\n <compound refid=\"device__buffer_8cpp\" kind=\"file\">\n <name>device_buffer.cpp</name>\n </compound>\n+ <compound refid=\"device__stream__manager_8cpp\" kind=\"file\">\n+ <name>device_stream_manager.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2device__stream__manager_8cpp\" kind=\"file\">\n+ <name>device_stream_manager.cpp</name>\n+ </compound>\n <compound refid=\"devicetransfers_8cpp\" kind=\"file\">\n <name>devicetransfers.cpp</name>\n </compound>\n <compound refid=\"devicetransfers_8h\" kind=\"file\">\n <name>devicetransfers.h</name>\n </compound>\n <compound refid=\"devicetransfers__hip_8cpp\" kind=\"file\">\n@@ -94124,14 +93509,32 @@\n <member refid=\"sparsematrix_8cpp_1ac3c58041a48f0f821ef71da0d6fbe0fd\" kind=\"function\">\n <name>gmx_sparsematrix_compress</name>\n </member>\n <member refid=\"sparsematrix_8cpp_1ab40559ebd7a3776e2eee14084687b406\" kind=\"function\">\n <name>gmx_sparsematrix_vector_multiply</name>\n </member>\n </compound>\n+ <compound refid=\"bonded_8cpp\" kind=\"file\">\n+ <name>bonded.cpp</name>\n+ <member refid=\"bonded_8cpp_1a59c50b0351a0f40c27aa54bfc04e67b9\" kind=\"variable\">\n+ <name>c_bondedKernelFlavorStrings</name>\n+ </member>\n+ <member refid=\"bonded_8cpp_1aa5ccd16bc6fca5281ec8404a2fb64037\" kind=\"function\">\n+ <name>cmap_dihs</name>\n+ </member>\n+ <member refid=\"bonded_8cpp_1a9dd5d165287b999df56836834132ab9b\" kind=\"function\">\n+ <name>calculateSimpleBond</name>\n+ </member>\n+ <member refid=\"bonded_8cpp_1abd8025bf61c1e8168c1b7c1505431cb9\" kind=\"function\">\n+ <name>nrnbIndex</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2bonded_8cpp\" kind=\"file\">\n+ <name>bonded.cpp</name>\n+ </compound>\n <compound refid=\"bonded_8h\" kind=\"file\">\n <name>bonded.h</name>\n <member refid=\"bonded_8h_1aacdbef16553b9b562a9a05e7b8c135f1\" kind=\"enum\">\n <name>BondedKernelFlavor</name>\n </member>\n <member refid=\"bonded_8h_1aacdbef16553b9b562a9a05e7b8c135f1a5fc0f529c3ea0688814b93b143afe101\" kind=\"enumvalue\">\n <name>ForcesSimdWhenAvailable</name>\n@@ -94340,35 +93743,14 @@\n </compound>\n <compound refid=\"manage__threading_8h\" kind=\"file\">\n <name>manage_threading.h</name>\n <member refid=\"manage__threading_8h_1a53cbbeac7f25beebc5e0d330faf9b99a\" kind=\"function\">\n <name>setup_bonded_threading</name>\n </member>\n </compound>\n- <compound refid=\"gromacs_2listed__forces_2orires_8cpp\" kind=\"file\">\n- <name>orires.cpp</name>\n- <member refid=\"gromacs_2listed__forces_2orires_8cpp_1abe609db700113be61cf5c7c953d16e08\" kind=\"function\">\n- <name>extendStateWithOriresHistory</name>\n- </member>\n- <member refid=\"gromacs_2listed__forces_2orires_8cpp_1abc65ee6ebe3564f33fe99c2fdad0e2e8\" kind=\"function\">\n- <name>diagonalize_orires_tensors</name>\n- </member>\n- <member refid=\"gromacs_2listed__forces_2orires_8cpp_1a558c2a0b81d1976025f8f0efd51af375\" kind=\"function\">\n- <name>print_orires_log</name>\n- </member>\n- <member refid=\"gromacs_2listed__forces_2orires_8cpp_1af640ad43880fdfefd15ff0973179ce02\" kind=\"function\">\n- <name>calc_orires_dev</name>\n- </member>\n- <member refid=\"gromacs_2listed__forces_2orires_8cpp_1a6e8d37098da73dc1656c7d9a9584772d\" kind=\"function\">\n- <name>orires</name>\n- </member>\n- </compound>\n- <compound refid=\"programs_2mdrun_2tests_2orires_8cpp\" kind=\"file\">\n- <name>orires.cpp</name>\n- </compound>\n <compound refid=\"orires_8h\" kind=\"file\">\n <name>orires.h</name>\n <member refid=\"orires_8h_1abe609db700113be61cf5c7c953d16e08\" kind=\"function\">\n <name>extendStateWithOriresHistory</name>\n </member>\n <member refid=\"orires_8h_1a2b16a53b629c7226f966c3c75791e8c9\" kind=\"function\">\n <name>calc_orires_dev</name>\n@@ -94448,32 +93830,14 @@\n <member refid=\"restcbt_8h_1ae1ede5f31d34b57fc752545a08939c37\" kind=\"function\">\n <name>compute_factors_restrdihs</name>\n </member>\n <member refid=\"restcbt_8h_1a96465d7ce23b11c49d9ae466eb68b179\" kind=\"function\">\n <name>compute_factors_cbtdihs</name>\n </member>\n </compound>\n- <compound refid=\"bonded_8cpp\" kind=\"file\">\n- <name>bonded.cpp</name>\n- <member refid=\"bonded_8cpp_1a59c50b0351a0f40c27aa54bfc04e67b9\" kind=\"variable\">\n- <name>c_bondedKernelFlavorStrings</name>\n- </member>\n- <member refid=\"bonded_8cpp_1aa5ccd16bc6fca5281ec8404a2fb64037\" kind=\"function\">\n- <name>cmap_dihs</name>\n- </member>\n- <member refid=\"bonded_8cpp_1a9dd5d165287b999df56836834132ab9b\" kind=\"function\">\n- <name>calculateSimpleBond</name>\n- </member>\n- <member refid=\"bonded_8cpp_1abd8025bf61c1e8168c1b7c1505431cb9\" kind=\"function\">\n- <name>nrnbIndex</name>\n- </member>\n- </compound>\n- <compound refid=\"tests_2bonded_8cpp\" kind=\"file\">\n- <name>bonded.cpp</name>\n- </compound>\n <compound refid=\"position__restraints_8cpp\" kind=\"file\">\n <name>position_restraints.cpp</name>\n <member refid=\"position__restraints_8cpp_1a1c4990a93b04b1744b635492a3be9c22\" kind=\"function\">\n <name>posres_wrapper</name>\n </member>\n <member refid=\"position__restraints_8cpp_1a4e01c646def2d038cc374a83bf721751\" kind=\"function\">\n <name>posres_wrapper_lambda</name>\n@@ -94481,14 +93845,59 @@\n <member refid=\"position__restraints_8cpp_1a49ca1c053c4bd609b84cc739e9df0bfa\" kind=\"function\">\n <name>fbposres_wrapper</name>\n </member>\n </compound>\n <compound refid=\"tests_2position__restraints_8cpp\" kind=\"file\">\n <name>position_restraints.cpp</name>\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=\"3dtransforms_8cpp\" kind=\"file\">\n <name>3dtransforms.cpp</name>\n <member refid=\"3dtransforms_8cpp_1a0240ac851181b84ac374872dc5434ee4\" kind=\"define\">\n <name>N</name>\n </member>\n <member refid=\"3dtransforms_8cpp_1aba548083baf78d5645b0f083def8658c\" kind=\"function\">\n <name>gmx_mat4_copy</name>\n@@ -94511,20 +93920,14 @@\n <member refid=\"3dtransforms_8cpp_1a5644ccc2ea40e66febf9c9d9a080f835\" kind=\"function\">\n <name>gmx_mat4_print</name>\n </member>\n <member refid=\"3dtransforms_8cpp_1a756743e383efb2ae716f895fe3ea1e3d\" kind=\"function\">\n <name>gmx_vec4_print</name>\n </member>\n </compound>\n- <compound refid=\"densityfit_8cpp\" kind=\"file\">\n- <name>densityfit.cpp</name>\n- </compound>\n- <compound refid=\"tests_2densityfit_8cpp\" kind=\"file\">\n- <name>densityfit.cpp</name>\n- </compound>\n <compound refid=\"densityfittingforce_8cpp\" kind=\"file\">\n <name>densityfittingforce.cpp</name>\n </compound>\n <compound refid=\"tests_2densityfittingforce_8cpp\" kind=\"file\">\n <name>densityfittingforce.cpp</name>\n </compound>\n <compound refid=\"do__fit_8cpp\" kind=\"file\">\n@@ -94556,14 +93959,26 @@\n <member refid=\"do__fit_8cpp_1a8b81550df594bffb9e3e65cf604c9267\" kind=\"function\">\n <name>reset_x_ndim</name>\n </member>\n <member refid=\"do__fit_8cpp_1a93bccc9720b471d0a9cd62ed72a970ac\" kind=\"function\">\n <name>reset_x</name>\n </member>\n </compound>\n+ <compound refid=\"exponentialmovingaverage_8cpp\" kind=\"file\">\n+ <name>exponentialmovingaverage.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2exponentialmovingaverage_8cpp\" kind=\"file\">\n+ <name>exponentialmovingaverage.cpp</name>\n+ </compound>\n+ <compound refid=\"functions_8cpp\" kind=\"file\">\n+ <name>functions.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2functions_8cpp\" kind=\"file\">\n+ <name>functions.cpp</name>\n+ </compound>\n <compound refid=\"3dtransforms_8h\" kind=\"file\">\n <name>3dtransforms.h</name>\n <member refid=\"3dtransforms_8h_1a7cd92fc1ac4aeb2dc1d8e50bf61e661e\" kind=\"define\">\n <name>WW</name>\n </member>\n <member refid=\"3dtransforms_8h_1a6a41fa5ed8bfdf8468a9554d6b1f450c\" kind=\"typedef\">\n <name>vec4</name>\n@@ -94736,19 +94151,19 @@\n <member refid=\"vecdump_8h_1a6d924c37256aba65e5067df0647d6a65\" kind=\"function\">\n <name>pr_rvecs</name>\n </member>\n <member refid=\"vecdump_8h_1a59dda941f52b146e8fd6aee4a7560d25\" kind=\"function\">\n <name>prRVecs</name>\n </member>\n </compound>\n- <compound refid=\"invertmatrix_8cpp\" kind=\"file\">\n- <name>invertmatrix.cpp</name>\n+ <compound refid=\"neldermead_8cpp\" kind=\"file\">\n+ <name>neldermead.cpp</name>\n </compound>\n- <compound refid=\"tests_2invertmatrix_8cpp\" kind=\"file\">\n- <name>invertmatrix.cpp</name>\n+ <compound refid=\"tests_2neldermead_8cpp\" kind=\"file\">\n+ <name>neldermead.cpp</name>\n </compound>\n <compound refid=\"nrjac_8cpp\" kind=\"file\">\n <name>nrjac.cpp</name>\n <member refid=\"nrjac_8cpp_1a6d6cb647c2567a5697787f3220473eb1\" kind=\"function\">\n <name>do_rotate</name>\n </member>\n <member refid=\"nrjac_8cpp_1ae0b8142935e3a21104a6a44011de071b\" kind=\"function\">\n@@ -94781,35 +94196,35 @@\n </compound>\n <compound refid=\"coordinatetransformation_8cpp\" kind=\"file\">\n <name>coordinatetransformation.cpp</name>\n </compound>\n <compound refid=\"tests_2coordinatetransformation_8cpp\" kind=\"file\">\n <name>coordinatetransformation.cpp</name>\n </compound>\n- <compound refid=\"dofit_8cpp\" kind=\"file\">\n- <name>dofit.cpp</name>\n- </compound>\n- <compound refid=\"exponentialmovingaverage_8cpp\" kind=\"file\">\n- <name>exponentialmovingaverage.cpp</name>\n- </compound>\n- <compound refid=\"tests_2exponentialmovingaverage_8cpp\" kind=\"file\">\n- <name>exponentialmovingaverage.cpp</name>\n+ <compound refid=\"densityfit_8cpp\" kind=\"file\">\n+ <name>densityfit.cpp</name>\n </compound>\n- <compound refid=\"functions_8cpp\" kind=\"file\">\n- <name>functions.cpp</name>\n+ <compound refid=\"tests_2densityfit_8cpp\" kind=\"file\">\n+ <name>densityfit.cpp</name>\n </compound>\n- <compound refid=\"tests_2functions_8cpp\" kind=\"file\">\n- <name>functions.cpp</name>\n+ <compound refid=\"dofit_8cpp\" kind=\"file\">\n+ <name>dofit.cpp</name>\n </compound>\n <compound refid=\"gausstransform_8cpp\" kind=\"file\">\n <name>gausstransform.cpp</name>\n </compound>\n <compound refid=\"tests_2gausstransform_8cpp\" kind=\"file\">\n <name>gausstransform.cpp</name>\n </compound>\n+ <compound refid=\"invertmatrix_8cpp\" kind=\"file\">\n+ <name>invertmatrix.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2invertmatrix_8cpp\" kind=\"file\">\n+ <name>invertmatrix.cpp</name>\n+ </compound>\n <compound refid=\"linearalgebra_2matrix_8cpp\" kind=\"file\">\n <name>matrix.cpp</name>\n <member refid=\"linearalgebra_2matrix_8cpp_1acf3c0b0cb652c237d43ce39b2d3815a4\" kind=\"define\">\n <name>DEBUG_MATRIX</name>\n </member>\n <member refid=\"linearalgebra_2matrix_8cpp_1ac5f4dfe020d9a79c3306a3aab9ad95c2\" kind=\"function\">\n <name>alloc_matrix</name>\n@@ -94835,29 +94250,50 @@\n </compound>\n <compound refid=\"math_2tests_2matrix_8cpp\" kind=\"file\">\n <name>matrix.cpp</name>\n </compound>\n <compound refid=\"multidimarray_8cpp\" kind=\"file\">\n <name>multidimarray.cpp</name>\n </compound>\n- <compound refid=\"neldermead_8cpp\" kind=\"file\">\n- <name>neldermead.cpp</name>\n- </compound>\n- <compound refid=\"tests_2neldermead_8cpp\" kind=\"file\">\n- <name>neldermead.cpp</name>\n- </compound>\n <compound refid=\"paddedvector_8cpp\" kind=\"file\">\n <name>paddedvector.cpp</name>\n </compound>\n <compound refid=\"testarrayrefs_8h\" kind=\"file\">\n <name>testarrayrefs.h</name>\n </compound>\n <compound refid=\"vectypes_8cpp\" kind=\"file\">\n <name>vectypes.cpp</name>\n </compound>\n+ <compound refid=\"math_2utilities_8cpp\" kind=\"file\">\n+ <name>utilities.cpp</name>\n+ <member refid=\"math_2utilities_8cpp_1a7afe8845680ffc6114c5c9e2ad8b2b2f\" kind=\"function\">\n+ <name>gmx_within_tol</name>\n+ </member>\n+ <member refid=\"math_2utilities_8cpp_1a9273cc4767e2ed010fa467146b4dae1b\" kind=\"function\">\n+ <name>gmx_numzero</name>\n+ </member>\n+ <member refid=\"math_2utilities_8cpp_1a9725aef965535877de71f30fb100ebb1\" kind=\"function\">\n+ <name>check_int_multiply_for_overflow</name>\n+ </member>\n+ <member refid=\"math_2utilities_8cpp_1af6675d24ca9e67e919812680ee2d0ea9\" kind=\"function\">\n+ <name>gmx_feenableexcept</name>\n+ </member>\n+ <member refid=\"math_2utilities_8cpp_1a193723fbd35bf265e210c8bff4228412\" kind=\"function\">\n+ <name>gmx_fedisableexcept</name>\n+ </member>\n+ <member refid=\"math_2utilities_8cpp_1aedcd399b089c89c5859f3f1aaadfd8cd\" kind=\"function\">\n+ <name>gmxShouldEnableFPExceptions</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"mimic_2utilities_8cpp\" kind=\"file\">\n+ <name>utilities.cpp</name>\n+ <member refid=\"mimic_2utilities_8cpp_1ac8c92f4d2b6d6276c25ae95682de13aa\" kind=\"function\">\n+ <name>genQmmmIndices</name>\n+ </member>\n+ </compound>\n <compound refid=\"veccompare_8cpp\" kind=\"file\">\n <name>veccompare.cpp</name>\n <member refid=\"veccompare_8cpp_1ae27124dcd6fe8e6cc479ae0ab2644aa5\" kind=\"function\">\n <name>cmp_rvec</name>\n </member>\n <member refid=\"veccompare_8cpp_1a71e1fe8691ac0a2699056945920ad5c8\" kind=\"function\">\n <name>cmp_ivec</name>\n@@ -94898,20 +94334,14 @@\n <member refid=\"vecdump_8cpp_1a6d924c37256aba65e5067df0647d6a65\" kind=\"function\">\n <name>pr_rvecs</name>\n </member>\n <member refid=\"vecdump_8cpp_1a59dda941f52b146e8fd6aee4a7560d25\" kind=\"function\">\n <name>prRVecs</name>\n </member>\n </compound>\n- <compound refid=\"gromacs_2mdlib_2boxdeformation_8cpp\" kind=\"file\">\n- <name>boxdeformation.cpp</name>\n- </compound>\n- <compound refid=\"programs_2mdrun_2tests_2boxdeformation_8cpp\" kind=\"file\">\n- <name>boxdeformation.cpp</name>\n- </compound>\n <compound refid=\"boxdeformation_8h\" kind=\"file\">\n <name>boxdeformation.h</name>\n </compound>\n <compound refid=\"broadcaststructs_8cpp\" kind=\"file\">\n <name>broadcaststructs.cpp</name>\n <member refid=\"broadcaststructs_8cpp_1a8597eb6cb24c99f3bbe12d54e515bb59\" kind=\"function\">\n <name>bcastPaddedRVecVector</name>\n@@ -94952,14 +94382,107 @@\n <member refid=\"broadcaststructs_8h_1aefd2d9c9c9ad1cce4592e32e1f72b996\" kind=\"function\">\n <name>broadcastStateWithoutDynamics</name>\n </member>\n <member refid=\"broadcaststructs_8h_1a6beb7499688c2aa6ac815f444d38cb21\" kind=\"function\">\n <name>init_parallel</name>\n </member>\n </compound>\n+ <compound refid=\"calc__verletbuf_8cpp\" kind=\"file\">\n+ 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<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=\"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@@ -95351,44 +94874,14 @@\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- <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>\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@@ -95465,14 +94958,20 @@\n <member refid=\"enerdata__utils_8h_1ad0e7876c7fe21f32738a4d4b0674428f\" kind=\"function\">\n <name>accumulatePotentialEnergies</name>\n </member>\n <member refid=\"enerdata__utils_8h_1a0ef9689c928727407b033c5ae1a1eea1\" kind=\"function\">\n <name>accumulateKineticLambdaComponents</name>\n </member>\n </compound>\n+ <compound refid=\"energydrifttracker_8cpp\" kind=\"file\">\n+ <name>energydrifttracker.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2energydrifttracker_8cpp\" kind=\"file\">\n+ <name>energydrifttracker.cpp</name>\n+ </compound>\n <compound refid=\"energydrifttracker_8h\" kind=\"file\">\n <name>energydrifttracker.h</name>\n </compound>\n <compound refid=\"energyoutput_8h\" kind=\"file\">\n <name>energyoutput.h</name>\n <member refid=\"energyoutput_8h_1a394b3903fbf00ba2b6243f60689a5a5f\" kind=\"enum\">\n <name/>\n@@ -96410,14 +95909,20 @@\n </compound>\n <compound refid=\"settle__gpu__internal_8h\" kind=\"file\">\n <name>settle_gpu_internal.h</name>\n </compound>\n <compound refid=\"settle__gpu__internal__sycl_8cpp\" kind=\"file\">\n <name>settle_gpu_internal_sycl.cpp</name>\n </compound>\n+ <compound refid=\"shake_8cpp\" kind=\"file\">\n+ <name>shake.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2shake_8cpp\" kind=\"file\">\n+ <name>shake.cpp</name>\n+ </compound>\n <compound refid=\"shake_8h\" kind=\"file\">\n <name>shake.h</name>\n </compound>\n <compound refid=\"sighandler_8cpp\" kind=\"file\">\n <name>sighandler.cpp</name>\n <member refid=\"sighandler_8cpp_1a11a90fd0ad6e342e86f11d0facdf04fd\" kind=\"variable\">\n <name>gmx_signal_name</name>\n@@ -96500,14 +96005,20 @@\n <member refid=\"sighandler_8h_1a77714e984d3331ceb727f5f223e167c7\" kind=\"function\">\n <name>gmx_got_usr_signal</name>\n </member>\n </compound>\n <compound refid=\"sim__util_8cpp\" kind=\"file\">\n <name>sim_util.cpp</name>\n </compound>\n+ <compound refid=\"simulationsignal_8cpp\" kind=\"file\">\n+ <name>simulationsignal.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2simulationsignal_8cpp\" kind=\"file\">\n+ <name>simulationsignal.cpp</name>\n+ </compound>\n <compound refid=\"simulationsignal_8h\" kind=\"file\">\n <name>simulationsignal.h</name>\n <member refid=\"simulationsignal_8h_1ac205be2172292384dd687b5471a87edd\" kind=\"enum\">\n <name/>\n </member>\n <member refid=\"simulationsignal_8h_1ac205be2172292384dd687b5471a87edda2b560dbe482d7ef602dcd47af059aae0\" kind=\"enumvalue\">\n <name>eglsCHKPT</name>\n@@ -96587,107 +96098,14 @@\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@@ -96716,19 +96134,43 @@\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=\"energydrifttracker_8cpp\" kind=\"file\">\n- <name>energydrifttracker.cpp</name>\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>\n- <compound refid=\"tests_2energydrifttracker_8cpp\" kind=\"file\">\n- <name>energydrifttracker.cpp</name>\n+ <compound refid=\"tests_2ebin_8cpp\" kind=\"file\">\n+ <name>ebin.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@@ -96878,62 +96320,35 @@\n <member refid=\"settletestrunners_8h_1a1c3e3e64bd28ea88fa2ca78148f17e38\" kind=\"define\">\n <name>GPU_SETTLE_SUPPORTED</name>\n </member>\n </compound>\n <compound refid=\"settletestrunners__gpu_8cpp\" kind=\"file\">\n <name>settletestrunners_gpu.cpp</name>\n </compound>\n- <compound refid=\"shake_8cpp\" kind=\"file\">\n- <name>shake.cpp</name>\n- </compound>\n- <compound refid=\"tests_2shake_8cpp\" kind=\"file\">\n- <name>shake.cpp</name>\n- </compound>\n- <compound refid=\"simulationsignal_8cpp\" kind=\"file\">\n- <name>simulationsignal.cpp</name>\n- </compound>\n- <compound refid=\"tests_2simulationsignal_8cpp\" kind=\"file\">\n- <name>simulationsignal.cpp</name>\n- </compound>\n- <compound refid=\"tests_2updategroupscog_8cpp\" kind=\"file\">\n- <name>updategroupscog.cpp</name>\n+ <compound refid=\"tests_2updategroups_8cpp\" kind=\"file\">\n+ <name>updategroups.cpp</name>\n </compound>\n- <compound refid=\"updategroupscog_8cpp\" kind=\"file\">\n- <name>updategroupscog.cpp</name>\n+ <compound refid=\"updategroups_8cpp\" kind=\"file\">\n+ <name>updategroups.cpp</name>\n </compound>\n <compound refid=\"watersystem_8h\" kind=\"file\">\n <name>watersystem.h</name>\n </compound>\n- <compound refid=\"tests_2wholemoleculetransform_8cpp\" kind=\"file\">\n- <name>wholemoleculetransform.cpp</name>\n- </compound>\n- <compound refid=\"wholemoleculetransform_8cpp\" kind=\"file\">\n- <name>wholemoleculetransform.cpp</name>\n- </compound>\n <compound refid=\"tgroup_8cpp\" kind=\"file\">\n <name>tgroup.cpp</name>\n <member refid=\"tgroup_8cpp_1a929fa811913497707b0e6c26a9e5f90f\" kind=\"function\">\n <name>sum_ekin</name>\n </member>\n </compound>\n <compound refid=\"tgroup_8h\" kind=\"file\">\n <name>tgroup.h</name>\n <member refid=\"tgroup_8h_1a1bbff5a4b7ef479ab93618f4185ea77a\" kind=\"function\">\n <name>sum_ekin</name>\n </member>\n </compound>\n- <compound refid=\"gromacs_2mdlib_2trajectory__writing_8cpp\" kind=\"file\">\n- <name>trajectory_writing.cpp</name>\n- <member refid=\"gromacs_2mdlib_2trajectory__writing_8cpp_1a4bea5f5cea08742a8c5fdeec55f76663\" kind=\"function\">\n- <name>do_md_trajectory_writing</name>\n- </member>\n- </compound>\n- <compound refid=\"programs_2mdrun_2tests_2trajectory__writing_8cpp\" kind=\"file\">\n- <name>trajectory_writing.cpp</name>\n- </compound>\n <compound refid=\"trajectory__writing_8h\" kind=\"file\">\n <name>trajectory_writing.h</name>\n <member refid=\"trajectory__writing_8h_1ac5103b82c853ff2f28708cd501568649\" kind=\"enum\">\n <name>EkindataState</name>\n </member>\n <member refid=\"trajectory__writing_8h_1ac5103b82c853ff2f28708cd501568649ac61bd16b5a4b0116254f503c2a93947d\" kind=\"enumvalue\">\n <name>NotUsed</name>\n@@ -97130,23 +96545,23 @@\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=\"tests_2updategroupscog_8cpp\" kind=\"file\">\n+ <name>updategroupscog.cpp</name>\n+ </compound>\n+ <compound refid=\"updategroupscog_8cpp\" kind=\"file\">\n+ <name>updategroupscog.cpp</name>\n+ </compound>\n <compound refid=\"updategroupscog_8h\" kind=\"file\">\n <name>updategroupscog.h</name>\n </compound>\n <compound refid=\"vcm_8cpp\" kind=\"file\">\n <name>vcm.cpp</name>\n <member refid=\"vcm_8cpp_1ae28a47942148c5a7d3960cc7b88ce36d\" kind=\"function\">\n <name>enumValueToString</name>\n@@ -97217,14 +96632,20 @@\n <member refid=\"wall_8h_1a1115ad539d487137add026c12f41ec0d\" kind=\"function\">\n <name>make_wall_tables</name>\n </member>\n <member refid=\"wall_8h_1af022aa180f9fc027e9a76597dc6364b6\" kind=\"function\">\n <name>do_walls</name>\n </member>\n </compound>\n+ <compound refid=\"tests_2wholemoleculetransform_8cpp\" kind=\"file\">\n+ <name>wholemoleculetransform.cpp</name>\n+ </compound>\n+ <compound refid=\"wholemoleculetransform_8cpp\" kind=\"file\">\n+ <name>wholemoleculetransform.cpp</name>\n+ </compound>\n <compound refid=\"wholemoleculetransform_8h\" kind=\"file\">\n <name>wholemoleculetransform.h</name>\n </compound>\n <compound refid=\"isimulator_8h\" kind=\"file\">\n <name>isimulator.h</name>\n </compound>\n <compound refid=\"legacymdrunoptions_8cpp\" kind=\"file\">\n@@ -97250,110 +96671,17 @@\n </compound>\n <compound refid=\"membedholder_8cpp\" kind=\"file\">\n <name>membedholder.cpp</name>\n </compound>\n <compound refid=\"membedholder_8h\" kind=\"file\">\n <name>membedholder.h</name>\n </compound>\n- <compound refid=\"gromacs_2mdrun_2mimic_8cpp\" kind=\"file\">\n- <name>mimic.cpp</name>\n- </compound>\n- <compound refid=\"programs_2mdrun_2tests_2mimic_8cpp\" kind=\"file\">\n- <name>mimic.cpp</name>\n- </compound>\n- <compound refid=\"gromacs_2mdrun_2minimize_8cpp\" kind=\"file\">\n- <name>minimize.cpp</name>\n- <member refid=\"gromacs_2mdrun_2minimize_8cpp_1a582991203d60046972a17f6c13e75834\" kind=\"typedef\">\n- <name>em_state_t</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2minimize_8cpp_1af261d4a38f0f3fb248d2b19c32e285de\" kind=\"function\">\n- <name>print_em_start</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2minimize_8cpp_1a86531642cc5248fd492d0ea16ebb9e38\" kind=\"function\">\n- <name>em_time_end</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2minimize_8cpp_1a5e140c107e83745273ceaf34723462b6\" kind=\"function\">\n- <name>sp_header</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2minimize_8cpp_1a361b6af6297e6bf489fe1e2190b9fa1a\" kind=\"function\">\n- <name>warn_step</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2minimize_8cpp_1a8dce037127e94eb4996d877e88049778\" kind=\"function\">\n- <name>print_converged</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2minimize_8cpp_1a3b0d6970428583789ac2d3866db0d311\" kind=\"function\">\n- <name>get_f_norm_max</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2minimize_8cpp_1a23699473bd2831abaa740414edb895df\" kind=\"function\">\n- <name>get_state_f_norm_max</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2minimize_8cpp_1a728851a65abcc1210e4201c9ed73c92c\" kind=\"function\">\n- <name>init_em</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2minimize_8cpp_1a0c209570efe43a0eea4ea64e560a44f1\" kind=\"function\">\n- <name>finish_em</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2minimize_8cpp_1a6078fd3d5fc0591a5a214ce7ef69bc93\" kind=\"function\">\n- <name>swap_em_state</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2minimize_8cpp_1a5e0bc03996fcf464597dabc54a7ac81b\" kind=\"function\">\n- <name>write_em_traj</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2minimize_8cpp_1a110140afe658d2ca234147ae62c8e567\" kind=\"function\">\n- <name>do_em_step</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2minimize_8cpp_1a83013d1499621e7f55cb0996adcf1dde\" kind=\"function\">\n- <name>em_dd_partition_system</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2minimize_8cpp_1a806f015fd8c673d224fdbd5f4ed0c612\" kind=\"function\">\n- <name>reorder_partsum</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2minimize_8cpp_1a11905527ebdf5178023ac299ade77c44\" kind=\"function\">\n- <name>pr_beta</name>\n- </member>\n- </compound>\n- <compound refid=\"programs_2mdrun_2tests_2minimize_8cpp\" kind=\"file\">\n- <name>minimize.cpp</name>\n- </compound>\n <compound refid=\"minimize_8h\" kind=\"file\">\n <name>minimize.h</name>\n </compound>\n- <compound refid=\"gromacs_2mdrun_2replicaexchange_8cpp\" kind=\"file\">\n- <name>replicaexchange.cpp</name>\n- <member refid=\"gromacs_2mdrun_2replicaexchange_8cpp_1a4a056331eb6b07b989dba65973c4ebc9\" kind=\"define\">\n- <name>MSRANK</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2replicaexchange_8cpp_1a4496671c16420f61b0fa515e22721327\" kind=\"enum\">\n- <name>ReplicaExchangeType</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2replicaexchange_8cpp_1a4496671c16420f61b0fa515e22721327aee7a8e262285ed49ea1b4e4ae11525bd\" kind=\"enumvalue\">\n- <name>Temperature</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2replicaexchange_8cpp_1a4496671c16420f61b0fa515e22721327a04a7da3c5b04cad85da1eebb92315b8b\" kind=\"enumvalue\">\n- <name>Lambda</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2replicaexchange_8cpp_1a4496671c16420f61b0fa515e22721327a02f089ffaca3e8efe9b989c4f95312cf\" kind=\"enumvalue\">\n- <name>EndSingle</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2replicaexchange_8cpp_1a4496671c16420f61b0fa515e22721327adb7ad77ed23f51a4458d9ecfbd66c394\" kind=\"enumvalue\">\n- <name>TemperatureLambda</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2replicaexchange_8cpp_1a4496671c16420f61b0fa515e22721327ae93f994f01c537c4e2f7d8528c3eb5e9\" kind=\"enumvalue\">\n- <name>Count</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2replicaexchange_8cpp_1a2d93a4cbce2ecbf52299220907da5024\" kind=\"variable\">\n- <name>c_probabilityCutoff</name>\n- </member>\n- <member refid=\"gromacs_2mdrun_2replicaexchange_8cpp_1a2d5665d7bd8c72d4786f0accbf3f4c6e\" kind=\"function\">\n- <name>enumValueToString</name>\n- </member>\n- </compound>\n- <compound refid=\"programs_2mdrun_2tests_2replicaexchange_8cpp\" kind=\"file\">\n- <name>replicaexchange.cpp</name>\n- </compound>\n <compound refid=\"replicaexchange_8h\" kind=\"file\">\n <name>replicaexchange.h</name>\n <member refid=\"replicaexchange_8h_1a12f6746a7f3217bb03e136d3699dd9a6\" kind=\"typedef\">\n <name>gmx_repl_ex_t</name>\n </member>\n <member refid=\"replicaexchange_8h_1a75236ca035801bc93b886e9903b97352\" kind=\"function\">\n <name>init_replica_exchange</name>\n@@ -97361,23 +96689,14 @@\n <member refid=\"replicaexchange_8h_1ac41f0901405f89de07aacb0a9ffa4833\" kind=\"function\">\n <name>replica_exchange</name>\n </member>\n <member refid=\"replicaexchange_8h_1ac242f2189cc51aa6ffb4a1b5768eab7d\" kind=\"function\">\n <name>print_replica_exchange_statistics</name>\n </member>\n </compound>\n- <compound refid=\"gromacs_2mdrun_2rerun_8cpp\" kind=\"file\">\n- <name>rerun.cpp</name>\n- <member refid=\"gromacs_2mdrun_2rerun_8cpp_1a3a61805a1314c7094d6985f312b796d3\" kind=\"function\">\n- <name>prepareRerunState</name>\n- </member>\n- </compound>\n- <compound refid=\"programs_2mdrun_2tests_2rerun_8cpp\" kind=\"file\">\n- <name>rerun.cpp</name>\n- </compound>\n <compound refid=\"runner_8cpp\" kind=\"file\">\n <name>runner.cpp</name>\n <member refid=\"runner_8cpp_1aa4b15c064f765093c1c3b0e45a18aa98\" kind=\"function\">\n <name>prepare_verlet_scheme</name>\n </member>\n <member refid=\"runner_8cpp_1ae0621a7f7cf0f5acb28130cd789fa94d\" kind=\"function\">\n <name>override_nsteps_cmdline</name>\n@@ -97472,20 +96791,14 @@\n </compound>\n <compound refid=\"simulatorbuilder_8h\" kind=\"file\">\n <name>simulatorbuilder.h</name>\n </compound>\n <compound refid=\"tpi_8cpp\" kind=\"file\">\n <name>tpi.cpp</name>\n </compound>\n- <compound refid=\"gromacs_2mdrunutility_2freeenergy_8cpp\" kind=\"file\">\n- <name>freeenergy.cpp</name>\n- </compound>\n- <compound refid=\"programs_2mdrun_2tests_2freeenergy_8cpp\" kind=\"file\">\n- <name>freeenergy.cpp</name>\n- </compound>\n <compound refid=\"freeenergy_8h\" kind=\"file\">\n <name>freeenergy.h</name>\n </compound>\n <compound refid=\"handlerestart_8cpp\" kind=\"file\">\n <name>handlerestart.cpp</name>\n </compound>\n <compound refid=\"handlerestart_8h\" kind=\"file\">\n@@ -97502,59 +96815,14 @@\n </compound>\n <compound refid=\"mdmodulesnotifiers_8cpp\" kind=\"file\">\n <name>mdmodulesnotifiers.cpp</name>\n </compound>\n <compound refid=\"mdmodulesnotifiers_8h\" kind=\"file\">\n <name>mdmodulesnotifiers.h</name>\n </compound>\n- <compound refid=\"gromacs_2mdrunutility_2multisim_8cpp\" kind=\"file\">\n- <name>multisim.cpp</name>\n- <member refid=\"gromacs_2mdrunutility_2multisim_8cpp_1a9bc33f1bfdd6a67539c03c386675ec55\" kind=\"function\">\n- <name>buildMultiSimulation</name>\n- </member>\n- <member refid=\"gromacs_2mdrunutility_2multisim_8cpp_1a85fa9415f00538cfd7755beed8f1a539\" kind=\"function\">\n- <name>gmx_sumd_sim</name>\n- </member>\n- <member refid=\"gromacs_2mdrunutility_2multisim_8cpp_1ae31427d3c05b4907656dcbd7f742634a\" kind=\"function\">\n- <name>gmx_sumf_sim</name>\n- </member>\n- <member refid=\"gromacs_2mdrunutility_2multisim_8cpp_1a989960dd828329d0839bf94ec013a9bb\" kind=\"function\">\n- <name>gmx_sumi_sim</name>\n- </member>\n- <member refid=\"gromacs_2mdrunutility_2multisim_8cpp_1a199f31c429eb1dc6cc601dbd74488eb7\" kind=\"function\">\n- <name>gmx_sumli_sim</name>\n- </member>\n- <member refid=\"gromacs_2mdrunutility_2multisim_8cpp_1ae0afb120203682679347d7b3718605b0\" kind=\"function\">\n- <name>gatherIntFromMultiSimulation</name>\n- </member>\n- <member refid=\"gromacs_2mdrunutility_2multisim_8cpp_1a16d445ea4c55a9b5cd3b9cd953e017a9\" kind=\"function\">\n- <name>check_multi_int</name>\n- </member>\n- <member refid=\"gromacs_2mdrunutility_2multisim_8cpp_1a0f69e7bcf56e37831126641007ce4362\" kind=\"function\">\n- <name>check_multi_int64</name>\n- </member>\n- <member refid=\"gromacs_2mdrunutility_2multisim_8cpp_1ac27fe007c9b401fca922e89fb11dc96c\" kind=\"function\">\n- <name>findIsSimulationMainRank</name>\n- </member>\n- <member refid=\"gromacs_2mdrunutility_2multisim_8cpp_1aff9d4943e78a0086438526368b2133dc\" kind=\"function\">\n- <name>isMainSim</name>\n- </member>\n- <member refid=\"gromacs_2mdrunutility_2multisim_8cpp_1ac8f3867edac2993d979225d201e5a996\" kind=\"function\">\n- <name>isMainSimMainRank</name>\n- </member>\n- <member refid=\"gromacs_2mdrunutility_2multisim_8cpp_1ab2261dce5a5aa7d89a13393efffd893f\" kind=\"function\">\n- <name>multisim_int_all_are_equal</name>\n- </member>\n- <member refid=\"gromacs_2mdrunutility_2multisim_8cpp_1ae2cdce7997dc624cd74e1f998d89a1ee\" kind=\"function\">\n- <name>logInitialMultisimStatus</name>\n- </member>\n- </compound>\n- <compound refid=\"programs_2mdrun_2tests_2multisim_8cpp\" kind=\"file\">\n- <name>multisim.cpp</name>\n- </compound>\n <compound refid=\"multisim_8h\" kind=\"file\">\n <name>multisim.h</name>\n <member refid=\"multisim_8h_1a74cdc389c10c53d3b24f8efc945c61a9\" kind=\"define\">\n <name>gmx_sum_sim</name>\n </member>\n <member refid=\"multisim_8h_1a9bc33f1bfdd6a67539c03c386675ec55\" kind=\"function\">\n <name>buildMultiSimulation</name>\n@@ -97847,20 +97115,14 @@\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@@ -98288,38 +97550,26 @@\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 <name>observableshistory.cpp</name>\n </compound>\n <compound refid=\"observableshistory_8h\" kind=\"file\">\n <name>observableshistory.h</name>\n </compound>\n- <compound refid=\"observablesreducer_8cpp\" kind=\"file\">\n- <name>observablesreducer.cpp</name>\n- </compound>\n- <compound refid=\"tests_2observablesreducer_8cpp\" kind=\"file\">\n- <name>observablesreducer.cpp</name>\n- </compound>\n <compound refid=\"observablesreducer_8h\" kind=\"file\">\n <name>observablesreducer.h</name>\n </compound>\n <compound refid=\"pull__params_8h\" kind=\"file\">\n <name>pull_params.h</name>\n </compound>\n <compound refid=\"pullhistory_8h\" kind=\"file\">\n@@ -98504,14 +97754,32 @@\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=\"observablesreducer_8cpp\" kind=\"file\">\n+ <name>observablesreducer.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2observablesreducer_8cpp\" kind=\"file\">\n+ <name>observablesreducer.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@@ -98519,86 +97787,14 @@\n </compound>\n <compound refid=\"communicator_8h\" kind=\"file\">\n <name>communicator.h</name>\n </compound>\n <compound refid=\"communicator__stub_8cpp\" kind=\"file\">\n <name>communicator_stub.cpp</name>\n </compound>\n- <compound refid=\"math_2utilities_8cpp\" kind=\"file\">\n- <name>utilities.cpp</name>\n- <member refid=\"math_2utilities_8cpp_1a7afe8845680ffc6114c5c9e2ad8b2b2f\" kind=\"function\">\n- <name>gmx_within_tol</name>\n- </member>\n- <member refid=\"math_2utilities_8cpp_1a9273cc4767e2ed010fa467146b4dae1b\" kind=\"function\">\n- <name>gmx_numzero</name>\n- </member>\n- <member refid=\"math_2utilities_8cpp_1a9725aef965535877de71f30fb100ebb1\" kind=\"function\">\n- <name>check_int_multiply_for_overflow</name>\n- </member>\n- <member refid=\"math_2utilities_8cpp_1af6675d24ca9e67e919812680ee2d0ea9\" kind=\"function\">\n- <name>gmx_feenableexcept</name>\n- </member>\n- <member refid=\"math_2utilities_8cpp_1a193723fbd35bf265e210c8bff4228412\" kind=\"function\">\n- <name>gmx_fedisableexcept</name>\n- </member>\n- <member refid=\"math_2utilities_8cpp_1aedcd399b089c89c5859f3f1aaadfd8cd\" kind=\"function\">\n- <name>gmxShouldEnableFPExceptions</name>\n- </member>\n- </compound>\n- <compound refid=\"mimic_2utilities_8cpp\" kind=\"file\">\n- <name>utilities.cpp</name>\n- <member refid=\"mimic_2utilities_8cpp_1ac8c92f4d2b6d6276c25ae95682de13aa\" kind=\"function\">\n- <name>genQmmmIndices</name>\n- </member>\n- </compound>\n- <compound refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h\" kind=\"file\">\n- <name>utilities.h</name>\n- <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a1ec29a11264be6ff399bb9409b7e6e69\" kind=\"enum\">\n- <name>MathOptimization</name>\n- </member>\n- <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a1ec29a11264be6ff399bb9409b7e6e69ac6eea0560cd6f377e78dff2c85cc9122\" kind=\"enumvalue\">\n- <name>Safe</name>\n- </member>\n- <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a1ec29a11264be6ff399bb9409b7e6e69ad3d57868b6ff9839eff631d2cc8acbce\" kind=\"enumvalue\">\n- <name>Unsafe</name>\n- </member>\n- <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a7afe8845680ffc6114c5c9e2ad8b2b2f\" kind=\"function\">\n- <name>gmx_within_tol</name>\n- </member>\n- <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a9273cc4767e2ed010fa467146b4dae1b\" kind=\"function\">\n- <name>gmx_numzero</name>\n- </member>\n- <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a9725aef965535877de71f30fb100ebb1\" kind=\"function\">\n- <name>check_int_multiply_for_overflow</name>\n- </member>\n- <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1af6675d24ca9e67e919812680ee2d0ea9\" kind=\"function\">\n- <name>gmx_feenableexcept</name>\n- </member>\n- <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a193723fbd35bf265e210c8bff4228412\" kind=\"function\">\n- <name>gmx_fedisableexcept</name>\n- </member>\n- <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1aedcd399b089c89c5859f3f1aaadfd8cd\" kind=\"function\">\n- <name>gmxShouldEnableFPExceptions</name>\n- </member>\n- </compound>\n- <compound refid=\"src_2gromacs_2listed__forces_2utilities_8h\" kind=\"file\">\n- <name>utilities.h</name>\n- <member refid=\"src_2gromacs_2listed__forces_2utilities_8h_1aba08e75fc4e249fb9ee806cf08781ff5\" kind=\"function\">\n- <name>ftypeIsListedPotential</name>\n- </member>\n- <member refid=\"src_2gromacs_2listed__forces_2utilities_8h_1a02435a07d79c82f6d260d8a2dcc82b90\" kind=\"function\">\n- <name>ftype_is_bonded_potential</name>\n- </member>\n- </compound>\n- <compound refid=\"src_2gromacs_2mimic_2utilities_8h\" kind=\"file\">\n- <name>utilities.h</name>\n- <member refid=\"src_2gromacs_2mimic_2utilities_8h_1ac8c92f4d2b6d6276c25ae95682de13aa\" kind=\"function\">\n- <name>genQmmmIndices</name>\n- </member>\n- </compound>\n <compound refid=\"andersentemperaturecoupling_8cpp\" kind=\"file\">\n <name>andersentemperaturecoupling.cpp</name>\n </compound>\n <compound refid=\"andersentemperaturecoupling_8h\" kind=\"file\">\n <name>andersentemperaturecoupling.h</name>\n </compound>\n <compound refid=\"checkpointhelper_8cpp\" kind=\"file\">\n@@ -99836,29 +99032,14 @@\n <member refid=\"nbnxm__ocl__types_8h_1ac25d3305b20adbcba038d1b0c71c9787a2cae5392fcd51a798cd5acf13c7aaa04\" kind=\"enumvalue\">\n <name>epruneRolling</name>\n </member>\n <member refid=\"nbnxm__ocl__types_8h_1ac25d3305b20adbcba038d1b0c71c9787af63fe644ad195c8f8b61837b6426c701\" kind=\"enumvalue\">\n <name>ePruneNR</name>\n </member>\n </compound>\n- <compound refid=\"pairlist_8cpp\" kind=\"file\">\n- <name>pairlist.cpp</name>\n- <member refid=\"pairlist_8cpp_1ad2c916f0430c8d399b770b199b7f627d\" kind=\"define\">\n- <name>PRUNE_LIST_CPU_ONE</name>\n- </member>\n- <member refid=\"pairlist_8cpp_1af0cdf2cec51c5eb2f62d3ce6cf515d14\" kind=\"define\">\n- <name>PRUNE_LIST_CPU_ALL</name>\n- </member>\n- <member refid=\"pairlist_8cpp_1a41d2a4c723e728aa374bff96917a2a69\" kind=\"define\">\n- <name>NBNXN_REFCODE</name>\n- </member>\n- </compound>\n- <compound refid=\"tests_2pairlist_8cpp\" kind=\"file\">\n- <name>pairlist.cpp</name>\n- </compound>\n <compound refid=\"pairlist_8h\" kind=\"file\">\n <name>pairlist.h</name>\n <member refid=\"pairlist_8h_1a5c5eb76c6c6759e6484311bad1f61cf4\" kind=\"define\">\n <name>NBNXN_CI_SHIFT</name>\n </member>\n <member refid=\"pairlist_8h_1a06e75dfd0236de1c43c4d40a52ddf7b5\" kind=\"define\">\n <name>NBNXN_CI_DO_LJ</name>\n@@ -100013,14 +99194,29 @@\n </compound>\n <compound refid=\"kernel__test_8cpp\" kind=\"file\">\n <name>kernel_test.cpp</name>\n </compound>\n <compound refid=\"kernelsetup_8cpp\" kind=\"file\">\n <name>kernelsetup.cpp</name>\n </compound>\n+ <compound refid=\"pairlist_8cpp\" kind=\"file\">\n+ <name>pairlist.cpp</name>\n+ <member refid=\"pairlist_8cpp_1ad2c916f0430c8d399b770b199b7f627d\" kind=\"define\">\n+ <name>PRUNE_LIST_CPU_ONE</name>\n+ </member>\n+ <member refid=\"pairlist_8cpp_1af0cdf2cec51c5eb2f62d3ce6cf515d14\" kind=\"define\">\n+ <name>PRUNE_LIST_CPU_ALL</name>\n+ </member>\n+ <member refid=\"pairlist_8cpp_1a41d2a4c723e728aa374bff96917a2a69\" kind=\"define\">\n+ <name>NBNXN_REFCODE</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2pairlist_8cpp\" kind=\"file\">\n+ <name>pairlist.cpp</name>\n+ </compound>\n <compound refid=\"simd__energy__accumulator_8cpp\" kind=\"file\">\n <name>simd_energy_accumulator.cpp</name>\n </compound>\n <compound refid=\"tests_2simd__energy__accumulator_8cpp\" kind=\"file\">\n <name>simd_energy_accumulator.cpp</name>\n </compound>\n <compound refid=\"spc81__coords_8h\" kind=\"file\">\n@@ -100109,19 +99305,19 @@\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=\"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=\"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@@ -100160,19 +99356,19 @@\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=\"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=\"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@@ -100358,14 +99554,92 @@\n <member refid=\"rmpbc_8h_1a38aa31db2a91c22f5c7cbc48dfa4e50e\" kind=\"function\">\n <name>gmx_rmpbc_trxfr</name>\n </member>\n <member refid=\"rmpbc_8h_1a4e2e91b8082ca3ff1f0e855c1117fd03\" kind=\"function\">\n <name>rm_gropbc</name>\n </member>\n </compound>\n+ <compound refid=\"mshift_8cpp\" kind=\"file\">\n+ <name>mshift.cpp</name>\n+ <member refid=\"mshift_8cpp_1ad964a3f8c753d6ff74ed62496c8d3193\" kind=\"define\">\n+ <name>GCHECK</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1aa6dd05891d05cc30dee1096497a73109\" kind=\"function\">\n+ <name>mk_igraph</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1ac0060106b6f75c7491d76a73e33f5e43\" kind=\"function\">\n+ <name>g_error</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1ab9a64654fca362ee70c889e286117a64\" kind=\"function\">\n+ <name>p_graph</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1a40ea4497406b5c8665a23631625504ad\" kind=\"function\">\n+ <name>convertGraph</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1ab7da45577478c69d6b58ecd7c8d88fc1\" kind=\"function\">\n+ <name>determine_graph_parts</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1ab046cdae63528be599af4b4de843d0a9\" kind=\"function\">\n+ <name>mk_graph_ilist</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1abb80ca2d810b8e4c81002752308ebf64\" kind=\"function\">\n+ <name>mk_graph_moltype</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1a25151935ed0dd8dd8469fd82f1ea8af8\" kind=\"function\">\n+ <name>mk_graph</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1a8e9817c5a5f2ac5c3b69089de459f0b1\" kind=\"function\">\n+ <name>mk_graph</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1ac00868208221cc735eb05897cb4e149e\" kind=\"function\">\n+ <name>mk_graph</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1a473491dbf5a7b57bc73d0feea44ab4f0\" kind=\"function\">\n+ <name>done_graph</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1a9b3d35280e19c42f064e9f0bbe1958ec\" kind=\"function\">\n+ <name>mk_1shift_tric</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1a26ae1414bab0c82044576dfdae92aef4\" kind=\"function\">\n+ <name>mk_1shift</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1a918629bdfa845adc6d1fbb74e54c3412\" kind=\"function\">\n+ <name>mk_1shift_screw</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1aaba27c056b7938c6a0775ea443953003\" kind=\"function\">\n+ <name>mk_grey</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1adb4c03ba0a1185f53f0a2c4973b61521\" kind=\"function\">\n+ <name>first_colour</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1a14216b10e25bebb0179445c71a580545\" kind=\"function\">\n+ <name>maxEdgeLength</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1aeeff54c7e8a3ac8029b0429cf57efbd4\" kind=\"function\">\n+ <name>mk_mshift</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1a4ca6305b4617993be02ff5f4fe0c47da\" kind=\"function\">\n+ <name>shift_x</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1a7b982ff0c9ad701a13a5b02c485ed644\" kind=\"function\">\n+ <name>shift_self</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1a263491f8215ebfb3f4bdf24c220198be\" kind=\"function\">\n+ <name>shift_self</name>\n+ </member>\n+ <member refid=\"mshift_8cpp_1a792546657709ffd253406ee59767e7f6\" kind=\"function\">\n+ <name>unshift_x</name>\n+ </member>\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=\"pbc_8cpp\" kind=\"file\">\n <name>pbc.cpp</name>\n <member refid=\"pbc_8cpp_1afb730582952b7ceec73d7dc9bf7bef39\" kind=\"enum\">\n <name/>\n </member>\n <member refid=\"pbc_8cpp_1afb730582952b7ceec73d7dc9bf7bef39af2b844981d774b134182c86882d3e913\" kind=\"enumvalue\">\n <name>epbcdxRECTANGULAR</name>\n@@ -100499,20 +99773,14 @@\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@@ -100556,91 +99824,19 @@\n </compound>\n <compound refid=\"com_8cpp\" kind=\"file\">\n <name>com.cpp</name>\n </compound>\n <compound refid=\"tests_2com_8cpp\" kind=\"file\">\n <name>com.cpp</name>\n </compound>\n- <compound refid=\"mshift_8cpp\" kind=\"file\">\n- <name>mshift.cpp</name>\n- <member refid=\"mshift_8cpp_1ad964a3f8c753d6ff74ed62496c8d3193\" kind=\"define\">\n- <name>GCHECK</name>\n- </member>\n- <member refid=\"mshift_8cpp_1aa6dd05891d05cc30dee1096497a73109\" kind=\"function\">\n- <name>mk_igraph</name>\n- </member>\n- <member refid=\"mshift_8cpp_1ac0060106b6f75c7491d76a73e33f5e43\" kind=\"function\">\n- <name>g_error</name>\n- </member>\n- <member refid=\"mshift_8cpp_1ab9a64654fca362ee70c889e286117a64\" kind=\"function\">\n- <name>p_graph</name>\n- </member>\n- <member refid=\"mshift_8cpp_1a40ea4497406b5c8665a23631625504ad\" kind=\"function\">\n- <name>convertGraph</name>\n- </member>\n- <member refid=\"mshift_8cpp_1ab7da45577478c69d6b58ecd7c8d88fc1\" kind=\"function\">\n- <name>determine_graph_parts</name>\n- </member>\n- <member refid=\"mshift_8cpp_1ab046cdae63528be599af4b4de843d0a9\" kind=\"function\">\n- <name>mk_graph_ilist</name>\n- </member>\n- <member refid=\"mshift_8cpp_1abb80ca2d810b8e4c81002752308ebf64\" kind=\"function\">\n- <name>mk_graph_moltype</name>\n- </member>\n- <member refid=\"mshift_8cpp_1a25151935ed0dd8dd8469fd82f1ea8af8\" kind=\"function\">\n- <name>mk_graph</name>\n- </member>\n- <member refid=\"mshift_8cpp_1a8e9817c5a5f2ac5c3b69089de459f0b1\" kind=\"function\">\n- <name>mk_graph</name>\n- </member>\n- <member refid=\"mshift_8cpp_1ac00868208221cc735eb05897cb4e149e\" kind=\"function\">\n- <name>mk_graph</name>\n- </member>\n- <member refid=\"mshift_8cpp_1a473491dbf5a7b57bc73d0feea44ab4f0\" kind=\"function\">\n- <name>done_graph</name>\n- </member>\n- <member refid=\"mshift_8cpp_1a9b3d35280e19c42f064e9f0bbe1958ec\" kind=\"function\">\n- <name>mk_1shift_tric</name>\n- </member>\n- <member refid=\"mshift_8cpp_1a26ae1414bab0c82044576dfdae92aef4\" kind=\"function\">\n- <name>mk_1shift</name>\n- </member>\n- <member refid=\"mshift_8cpp_1a918629bdfa845adc6d1fbb74e54c3412\" kind=\"function\">\n- <name>mk_1shift_screw</name>\n- </member>\n- <member refid=\"mshift_8cpp_1aaba27c056b7938c6a0775ea443953003\" kind=\"function\">\n- <name>mk_grey</name>\n- </member>\n- <member refid=\"mshift_8cpp_1adb4c03ba0a1185f53f0a2c4973b61521\" kind=\"function\">\n- <name>first_colour</name>\n- </member>\n- <member refid=\"mshift_8cpp_1a14216b10e25bebb0179445c71a580545\" kind=\"function\">\n- <name>maxEdgeLength</name>\n- </member>\n- <member refid=\"mshift_8cpp_1aeeff54c7e8a3ac8029b0429cf57efbd4\" kind=\"function\">\n- <name>mk_mshift</name>\n- </member>\n- <member refid=\"mshift_8cpp_1a4ca6305b4617993be02ff5f4fe0c47da\" kind=\"function\">\n- <name>shift_x</name>\n- </member>\n- <member refid=\"mshift_8cpp_1a7b982ff0c9ad701a13a5b02c485ed644\" kind=\"function\">\n- <name>shift_self</name>\n- </member>\n- <member refid=\"mshift_8cpp_1a263491f8215ebfb3f4bdf24c220198be\" kind=\"function\">\n- <name>shift_self</name>\n- </member>\n- <member refid=\"mshift_8cpp_1a792546657709ffd253406ee59767e7f6\" kind=\"function\">\n- <name>unshift_x</name>\n- </member>\n- <member refid=\"mshift_8cpp_1a90e20cd98356ad19d61bdd21eae2e53b\" kind=\"function\">\n- <name>unshift_self</name>\n- </member>\n+ <compound refid=\"pbcenums_8cpp\" kind=\"file\">\n+ <name>pbcenums.cpp</name>\n </compound>\n- <compound refid=\"tests_2mshift_8cpp\" kind=\"file\">\n- <name>mshift.cpp</name>\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@@ -100823,236 +100019,14 @@\n <member refid=\"pull__internal_8h_1ac60670d3d3d71942793df19f788f11f2\" kind=\"function\">\n <name>setPrevStepPullComFromState</name>\n </member>\n <member refid=\"pull__internal_8h_1a528c09b9706d79a41c12c489832df13a\" kind=\"function\">\n <name>allocStatePrevStepPullCom</name>\n </member>\n </compound>\n- <compound refid=\"gromacs_2pulling_2pull__rotation_8cpp\" kind=\"file\">\n- <name>pull_rotation.cpp</name>\n- <member refid=\"gromacs_2pulling_2pull__rotation_8cpp_1a93e7c8a1443894a56eaeaff166d88f1e\" kind=\"define\">\n- <name>WEIGHT_MIN</name>\n- </member>\n- <member refid=\"gromacs_2pulling_2pull__rotation_8cpp_1ae82fdb8d6d03c6fb9bf86a4095b2cd7f\" kind=\"define\">\n- <name>PRINT_FORCE_J</name>\n- </member>\n- <member 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kind=\"function\">\n- <name>gmx_ana_indexmap_copy</name>\n- </member>\n- <member refid=\"indexutil_8cpp_1a70ece65ec7e83272fca80a96ef3d2847\" kind=\"function\">\n- <name>set_atoms</name>\n- </member>\n- <member refid=\"indexutil_8cpp_1aa100f0522b7c9ad3090ee32fe7ced7ad\" kind=\"function\">\n- <name>gmx_ana_indexmap_update</name>\n- </member>\n- <member refid=\"indexutil_8cpp_1a03b58612d9db3c295423c4ad9fb73160\" kind=\"function\">\n- <name>gmx_ana_indexmap_deinit</name>\n- </member>\n- </compound>\n- <compound refid=\"tests_2indexutil_8cpp\" kind=\"file\">\n- <name>indexutil.cpp</name>\n- </compound>\n <compound refid=\"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@@ -103643,20 +102473,14 @@\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@@ -103817,50 +102641,14 @@\n </compound>\n <compound refid=\"scalar__math_8h\" kind=\"file\">\n <name>scalar_math.h</name>\n </compound>\n <compound refid=\"scalar__util_8h\" kind=\"file\">\n <name>scalar_util.h</name>\n </compound>\n- <compound refid=\"simd__math_8h\" kind=\"file\">\n- 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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@@ -104024,164 +102848,14 @@\n <member refid=\"statistics_8h_1a68100806393d728889e7a423f5e03c3f\" kind=\"function\">\n <name>lsq_y_ax_b_xdouble</name>\n </member>\n <member refid=\"statistics_8h_1ac601b9dfe1d72b7d37f7996ebe0757e6\" kind=\"function\">\n <name>lsq_y_ax_b_error</name>\n </member>\n </compound>\n- <compound refid=\"gromacs_2swap_2swapcoords_8cpp\" kind=\"file\">\n- <name>swapcoords.cpp</name>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1ae01f464ab62b2ac1e58970652af170ae\" kind=\"enum\">\n- <name>ChannelHistory</name>\n- </member>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1ae01f464ab62b2ac1e58970652af170aea6adf97f83acf6453d4a6a4b1070f3754\" kind=\"enumvalue\">\n- <name>None</name>\n- </member>\n- <member 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refid=\"gromacs_2swap_2swapcoords_8cpp_1ae181920c52dccba979a4a541f6fa09b7\" kind=\"function\">\n- <name>sortMoleculesIntoCompartments</name>\n- </member>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1a2ba5c82e0b901b0d2bc8190f9fb1d1bb\" kind=\"function\">\n- <name>get_initial_ioncounts</name>\n- </member>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1a63688a2d96a14be60358babedf842922\" kind=\"function\">\n- <name>get_initial_ioncounts_from_cpt</name>\n- </member>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1a967c28c3b3457b867cf760e04ba9a5ea\" kind=\"function\">\n- <name>bc_initial_concentrations</name>\n- </member>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1a32007e69dbe1fc1ea4a019806ffef227\" kind=\"function\">\n- <name>check_swap_groups</name>\n- </member>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1af369e4b1d0fb8724e25cf35d0156f289\" kind=\"function\">\n- <name>get_group_apm_check</name>\n- </member>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1a4f17032d149901385aec5183808e06dd\" kind=\"function\">\n- <name>print_ionlist_legend</name>\n- </member>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1a9e04e622bec9416e9b5b6cd593401ec8\" kind=\"function\">\n- <name>detect_flux_per_channel_init</name>\n- </member>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1ae93792afe330e7d0b2d1114e97457986\" kind=\"function\">\n- <name>outputStartStructureIfWanted</name>\n- </member>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1a369395d19da57bd943a0927db86f228e\" kind=\"function\">\n- <name>init_swapstate</name>\n- </member>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1a68037d4379c6380d861698bf7532d4a7\" kind=\"function\">\n- <name>getRequestedChargeImbalance</name>\n- </member>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1adcd57560b49e78e2dc2f401c4e6d84df\" kind=\"function\">\n- <name>copyIndicesToGroup</name>\n- </member>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1a2403a53b125b6939029cab9e2bfa79b1\" kind=\"function\">\n- <name>convertOldToNewGroupFormat</name>\n- </member>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1aac49b9b79589120e5f86736f19b5fb40\" kind=\"function\">\n- <name>bConvertFromOldTpr</name>\n- </member>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1a303ae27c677039d081ec123cb7bb1193\" kind=\"function\">\n- <name>init_swapcoords</name>\n- </member>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1a5a6ba54e3bb30f694792a72fe983d415\" kind=\"function\">\n- <name>finish_swapcoords</name>\n- </member>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1a1fa7ca9014ca6b09094e24146e4f7139\" kind=\"function\">\n- <name>need_swap</name>\n- </member>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1aee789cd0e8c00d7ea9bbc4ca285cb993\" kind=\"function\">\n- <name>get_index_of_distant_atom</name>\n- </member>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1af85436adf396ea680ef5b6707a65a6f5\" kind=\"function\">\n- <name>translate_positions</name>\n- </member>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1af426484af74eda2d806a103064d8c11b\" kind=\"function\">\n- <name>apply_modified_positions</name>\n- </member>\n- <member refid=\"gromacs_2swap_2swapcoords_8cpp_1ac6ec8dd8a6224b7af40e455a3f7c148b\" kind=\"function\">\n- <name>do_swapcoords</name>\n- </member>\n- </compound>\n- <compound refid=\"programs_2mdrun_2tests_2swapcoords_8cpp\" kind=\"file\">\n- <name>swapcoords.cpp</name>\n- </compound>\n <compound refid=\"swapcoords_8h\" kind=\"file\">\n <name>swapcoords.h</name>\n <member refid=\"swapcoords_8h_1aec2c7bf817aaf8d24aeb2a1c9ebd238c\" kind=\"function\">\n <name>init_swapcoords</name>\n </member>\n <member refid=\"swapcoords_8h_1a5a6ba54e3bb30f694792a72fe983d415\" kind=\"function\">\n <name>finish_swapcoords</name>\n@@ -105254,14 +103928,29 @@\n <member refid=\"convert__tpr_8cpp_1a6a1dfd27250c05439e72e91d1dc621d9\" kind=\"function\">\n <name>print_runtime_info</name>\n </member>\n </compound>\n <compound refid=\"convert__tpr_8h\" kind=\"file\">\n <name>convert_tpr.h</name>\n </compound>\n+ <compound refid=\"domdec_2dump_8cpp\" kind=\"file\">\n+ <name>dump.cpp</name>\n+ <member refid=\"domdec_2dump_8cpp_1a24ad4a51109a28e8e9c62508b9e42647\" kind=\"function\">\n+ <name>write_dd_grid_pdb</name>\n+ </member>\n+ <member refid=\"domdec_2dump_8cpp_1a1bd82c86c0d8c32a9ee429e70eaaa803\" kind=\"function\">\n+ <name>write_dd_pdb</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tools_2dump_8cpp\" kind=\"file\">\n+ <name>dump.cpp</name>\n+ </compound>\n+ <compound refid=\"tools_2tests_2dump_8cpp\" kind=\"file\">\n+ <name>dump.cpp</name>\n+ </compound>\n <compound refid=\"domdec_2dump_8h\" kind=\"file\">\n <name>dump.h</name>\n <member refid=\"domdec_2dump_8h_1a24ad4a51109a28e8e9c62508b9e42647\" kind=\"function\">\n <name>write_dd_grid_pdb</name>\n </member>\n <member refid=\"domdec_2dump_8h_1a1bd82c86c0d8c32a9ee429e70eaaa803\" kind=\"function\">\n <name>write_dd_pdb</name>\n@@ -105437,35 +104126,14 @@\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 <name>make_ndx.cpp</name>\n <member refid=\"make__ndx_8cpp_1aa647bd959b8a3f6d4254e1e2c2295d44\" kind=\"define\">\n <name>MAXNAMES</name>\n </member>\n <member refid=\"make__ndx_8cpp_1a4853f6c25c8394fd57c4d99f61d5cd89\" kind=\"define\">\n <name>NAME_LEN</name>\n@@ -105569,47 +104237,14 @@\n </compound>\n <compound refid=\"report__methods_8cpp\" kind=\"file\">\n <name>report_methods.cpp</name>\n </compound>\n <compound refid=\"tests_2report__methods_8cpp\" kind=\"file\">\n <name>report_methods.cpp</name>\n </compound>\n- <compound refid=\"tests_2trjconv_8cpp\" kind=\"file\">\n- <name>trjconv.cpp</name>\n- </compound>\n- <compound refid=\"trjconv_8cpp\" kind=\"file\">\n- 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kind=\"function\">\n- <name>swapFrames</name>\n- </member>\n- <member refid=\"trjconv_8cpp_1a038540cdbed36105ee2e83581665b579\" kind=\"function\">\n- <name>gmx_trjconv</name>\n- </member>\n- </compound>\n <compound refid=\"trjcat_8cpp\" kind=\"file\">\n <name>trjcat.cpp</name>\n <member refid=\"trjcat_8cpp_1a7f53bfa6bc1bc9e1f0669290d03dc823\" kind=\"define\">\n <name>TIME_EXPLICIT</name>\n </member>\n <member refid=\"trjcat_8cpp_1af23ab04b746a0b7cf50a63d4306f956f\" kind=\"define\">\n <name>TIME_CONTINUE</name>\n@@ -105647,14 +104282,47 @@\n </compound>\n <compound refid=\"trjcat_8h\" kind=\"file\">\n <name>trjcat.h</name>\n <member refid=\"trjcat_8h_1a64bb43abd6cc8a53fc401edecc7ef3cf\" kind=\"function\">\n <name>gmx_trjcat</name>\n </member>\n </compound>\n+ <compound refid=\"tests_2trjconv_8cpp\" kind=\"file\">\n+ <name>trjconv.cpp</name>\n+ </compound>\n+ <compound refid=\"trjconv_8cpp\" kind=\"file\">\n+ <name>trjconv.cpp</name>\n+ <member refid=\"trjconv_8cpp_1ab70d4725699c0935e4847676027e7820\" kind=\"define\">\n+ <name>NPA</name>\n+ </member>\n+ <member refid=\"trjconv_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n+ <name>NFILE</name>\n+ </member>\n+ <member refid=\"trjconv_8cpp_1a629269f9c37c238d6eeac864c6b95457\" kind=\"function\">\n+ <name>mk_filenm</name>\n+ </member>\n+ <member refid=\"trjconv_8cpp_1a604e80a6138465ebed83fc0fa2c28426\" kind=\"function\">\n+ <name>check_trr</name>\n+ </member>\n+ <member refid=\"trjconv_8cpp_1a188a4a4c725191dbdff64a6cf6f86319\" kind=\"function\">\n+ <name>do_trunc</name>\n+ </member>\n+ <member refid=\"trjconv_8cpp_1a7deffd22a7085884343e6e3c81be8c0a\" kind=\"function\">\n+ <name>read_mtop_for_tng</name>\n+ </member>\n+ <member refid=\"trjconv_8cpp_1aede11562e4aafe998dcb33e023c3a0b7\" kind=\"function\">\n+ <name>copyTrxframeDeeply</name>\n+ </member>\n+ <member refid=\"trjconv_8cpp_1ac91dc616983ac214a56e67853755d456\" kind=\"function\">\n+ <name>swapFrames</name>\n+ </member>\n+ <member refid=\"trjconv_8cpp_1a038540cdbed36105ee2e83581665b579\" kind=\"function\">\n+ <name>gmx_trjconv</name>\n+ </member>\n+ </compound>\n <compound refid=\"trjconv_8h\" kind=\"file\">\n <name>trjconv.h</name>\n <member refid=\"trjconv_8h_1a038540cdbed36105ee2e83581665b579\" kind=\"function\">\n <name>gmx_trjconv</name>\n </member>\n </compound>\n <compound refid=\"tune__pme_8cpp\" kind=\"file\">\n@@ -105872,14 +104540,104 @@\n <member refid=\"atomprop_8cpp_1a98adebc1f31dc5c54e960bb506a67960\" kind=\"function\">\n <name>printWarning</name>\n </member>\n <member refid=\"atomprop_8cpp_1a8dc03f52fe7faa07eb762bb30fc1f7ab\" kind=\"function\">\n <name>printvdwWarning</name>\n </member>\n </compound>\n+ <compound refid=\"atoms_8cpp\" kind=\"file\">\n+ <name>atoms.cpp</name>\n+ <member refid=\"atoms_8cpp_1a4683ddef9ca07453dbb6788cd3b8cc10\" kind=\"function\">\n+ <name>enumValueToString</name>\n+ </member>\n+ <member refid=\"atoms_8cpp_1a45e317fdc10e918e3ae81b7760df5eac\" kind=\"function\">\n+ <name>init_atom</name>\n+ </member>\n+ <member refid=\"atoms_8cpp_1ad8e7620f2d8e2ffd5b9e28a5baa03528\" kind=\"function\">\n+ <name>done_atom</name>\n+ </member>\n+ <member refid=\"atoms_8cpp_1a50b96a544daedd437b795c373c5ab4a5\" kind=\"function\">\n+ <name>done_and_delete_atoms</name>\n+ </member>\n+ <member refid=\"atoms_8cpp_1a04e594b2f8f9b5172468b5a8ec4e1651\" kind=\"function\">\n+ <name>add_t_atoms</name>\n+ </member>\n+ <member refid=\"atoms_8cpp_1a53cbf4221917816cd7628662efcc9243\" kind=\"function\">\n+ <name>init_t_atoms</name>\n+ </member>\n+ <member refid=\"atoms_8cpp_1a170f5b1a73b7d2351454dc78d872dc4d\" kind=\"function\">\n+ <name>gmx_pdbinfo_init_default</name>\n+ </member>\n+ <member refid=\"atoms_8cpp_1a33af6f505ee2e0a895e888afb8035062\" kind=\"function\">\n+ <name>copy_t_atoms</name>\n+ </member>\n+ <member refid=\"atoms_8cpp_1a116580117b48c16f896c4b93fd51e137\" kind=\"function\">\n+ <name>t_atoms_set_resinfo</name>\n+ </member>\n+ <member refid=\"atoms_8cpp_1a9bfb044402619f7d1840b3089c93ed9f\" kind=\"function\">\n+ <name>pr_atom</name>\n+ </member>\n+ <member refid=\"atoms_8cpp_1a2e6424fe053537314ba1bf126adf75ce\" kind=\"function\">\n+ <name>pr_strings2</name>\n+ </member>\n+ <member refid=\"atoms_8cpp_1aa73f7ba81f2d102a7930a8fcbb1bee02\" kind=\"function\">\n+ <name>pr_resinfo</name>\n+ </member>\n+ <member refid=\"atoms_8cpp_1a5f09470bbb8ec525be90bfd951569219\" kind=\"function\">\n+ <name>pr_atoms</name>\n+ </member>\n+ <member refid=\"atoms_8cpp_1a3213859c25d60afb33cd58f565b83634\" kind=\"function\">\n+ <name>compareAtom</name>\n+ </member>\n+ <member refid=\"atoms_8cpp_1a292907c8988a3f21e8ea3e9db08f93fe\" kind=\"function\">\n+ <name>compareResinfo</name>\n+ </member>\n+ <member refid=\"atoms_8cpp_1a7889db57d3728c6e1fa6b63789f61240\" kind=\"function\">\n+ <name>comparePdbinfo</name>\n+ </member>\n+ <member refid=\"atoms_8cpp_1a3f72e0af135e3dcf4bb5e1a1811177a4\" kind=\"function\">\n+ <name>compareAtoms</name>\n+ 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<member refid=\"tests_2atoms_8cpp_1afd7b081426ef6c0dc23a8cc5288e6898\" kind=\"variable\">\n+ <name>testParticleTypeValueOneState</name>\n+ </member>\n+ <member refid=\"tests_2atoms_8cpp_1a670191bdca72444579f4df0f0797dd4b\" kind=\"variable\">\n+ <name>testParticleTypeValueTwoState</name>\n+ </member>\n+ <member refid=\"tests_2atoms_8cpp_1a0f5c32c6d9fd4fd74d4795ab038958d6\" kind=\"function\">\n+ <name>checkParticleValue</name>\n+ </member>\n+ <member refid=\"tests_2atoms_8cpp_1ac984d6f1dbcb60c6fa842bd8c4a55658\" kind=\"function\">\n+ <name>checkParticleMiscInfo</name>\n+ </member>\n+ <member refid=\"tests_2atoms_8cpp_1ad9e44707c02fd6a04cd8e16bfeeffeae\" kind=\"function\">\n+ <name>checkParticle</name>\n+ </member>\n+ </compound>\n <compound refid=\"atomsbuilder_8cpp\" kind=\"file\">\n <name>atomsbuilder.cpp</name>\n </compound>\n <compound refid=\"block_8cpp\" kind=\"file\">\n <name>block.cpp</name>\n <member refid=\"block_8cpp_1a2034af172a6b4c89aa4c0115e247d5a9\" kind=\"function\">\n <name>init_block</name>\n@@ -105911,14 +104669,20 @@\n <member refid=\"block_8cpp_1a2cda05b62627d8c37359c27712068be8\" kind=\"function\">\n <name>pr_blocka</name>\n </member>\n <member refid=\"block_8cpp_1a738788bcfe971e6dd3f11cf202aeb3c1\" kind=\"function\">\n <name>pr_listoflists</name>\n </member>\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=\"forcefieldparameters_8cpp\" kind=\"file\">\n <name>forcefieldparameters.cpp</name>\n <member refid=\"forcefieldparameters_8cpp_1ae00c8c49a9f19126211ba38ea94519dd\" kind=\"function\">\n <name>pr_cmap</name>\n </member>\n <member refid=\"forcefieldparameters_8cpp_1a6d318b70cd78b782f837e40ae624fba0\" kind=\"function\">\n <name>pr_ffparams</name>\n@@ -106136,95 +104900,14 @@\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\" kind=\"function\">\n- <name>write_index</name>\n- </member>\n- <member refid=\"index_8cpp_1afa247aa9c0aee82c1d9d0b28c6d958ae\" kind=\"function\">\n- <name>grp_cmp</name>\n- </member>\n- <member refid=\"index_8cpp_1a5cb954dcc6d4c9f783a6a9311047104f\" kind=\"function\">\n- <name>printMoleculeCategoryResidueCounts</name>\n- </member>\n- <member refid=\"index_8cpp_1a1867d4c2341272aae1dba498cae6cfbe\" kind=\"function\">\n- <name>mk_aid</name>\n- </member>\n- <member refid=\"index_8cpp_1a924ffdc9df8600d1ba0f54247f922813\" kind=\"function\">\n- <name>analyse_other</name>\n- </member>\n- <member refid=\"index_8cpp_1a21ca884ab0fca06ca58c9892ecfa8cf3\" kind=\"function\">\n- <name>analyse_prot</name>\n- </member>\n- <member refid=\"index_8cpp_1a777113ddc3ae87dac07fba68989e0800\" kind=\"function\">\n- <name>analyse</name>\n- </member>\n- <member refid=\"index_8cpp_1a729121861bd15ca4b4bc0721d10b81f3\" kind=\"function\">\n- <name>check_index</name>\n- </member>\n- <member refid=\"index_8cpp_1aca665a059613f23bef8f50aa2bb51838\" kind=\"function\">\n- <name>init_index</name>\n- </member>\n- <member refid=\"index_8cpp_1aa51a237929e3d21c8134ceab8abfa540\" kind=\"function\">\n- <name>init_index</name>\n- </member>\n- <member 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<name>scattering-debye-saxs.cpp</name>\n- </compound>\n- <compound refid=\"scattering-debye-saxs_8h\" kind=\"file\">\n- <name>scattering-debye-saxs.h</name>\n- </compound>\n- <compound refid=\"scattering-debye_8cpp\" kind=\"file\">\n- <name>scattering-debye.cpp</name>\n- </compound>\n- <compound refid=\"scattering-debye_8h\" kind=\"file\">\n- <name>scattering-debye.h</name>\n- </compound>\n <compound refid=\"modules_2scattering_8cpp\" kind=\"file\">\n <name>scattering.cpp</name>\n </compound>\n <compound refid=\"tests_2scattering_8cpp\" kind=\"file\">\n <name>scattering.cpp</name>\n </compound>\n- <compound refid=\"scattering_8h\" kind=\"file\">\n- <name>scattering.h</name>\n- </compound>\n- <compound refid=\"scatteringfactors_8cpp\" kind=\"file\">\n- <name>scatteringfactors.cpp</name>\n- </compound>\n- <compound refid=\"scatteringfactors_8h\" kind=\"file\">\n- <name>scatteringfactors.h</name>\n- </compound>\n <compound refid=\"modules_2select_8cpp\" kind=\"file\">\n <name>select.cpp</name>\n </compound>\n <compound refid=\"tests_2select_8cpp\" kind=\"file\">\n <name>select.cpp</name>\n </compound>\n- <compound refid=\"select_8h\" kind=\"file\">\n- <name>select.h</name>\n- </compound>\n <compound refid=\"modules_2surfacearea_8cpp\" kind=\"file\">\n <name>surfacearea.cpp</name>\n <member refid=\"modules_2surfacearea_8cpp_1aa7bb22f8518b78f95595589b0c93e7e9\" kind=\"define\">\n <name>UNSP_ICO_DOD</name>\n </member>\n <member refid=\"modules_2surfacearea_8cpp_1a83c02b844032ef31fa33734ef2863cf1\" kind=\"define\">\n <name>UNSP_ICO_ARC</name>\n@@ -106856,79 +105557,70 @@\n <member refid=\"modules_2surfacearea_8cpp_1aad4293a54b7228501349dd503558a918\" kind=\"function\">\n <name>nsc_dclm_pbc</name>\n </member>\n </compound>\n <compound refid=\"tests_2surfacearea_8cpp\" kind=\"file\">\n <name>surfacearea.cpp</name>\n </compound>\n- <compound refid=\"surfacearea_8h\" kind=\"file\">\n- <name>surfacearea.h</name>\n- <member refid=\"surfacearea_8h_1a3a0e7e8088575a845477981c6dbc81f0\" kind=\"define\">\n- <name>FLAG_DOTS</name>\n- </member>\n- <member refid=\"surfacearea_8h_1aebb716976b6554f9d8b2d988d6560a15\" kind=\"define\">\n- <name>FLAG_VOLUME</name>\n- </member>\n- <member refid=\"surfacearea_8h_1a7cfe4ebd0cd9c58263d078186a3c9f22\" kind=\"define\">\n- <name>FLAG_ATOM_AREA</name>\n+ <compound refid=\"test__selection_8cpp\" kind=\"file\">\n+ <name>test_selection.cpp</name>\n+ <member refid=\"test__selection_8cpp_1a0ddf1224851353fc92bfbff6f499fa97\" kind=\"function\">\n+ <name>main</name>\n </member>\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=\"modules_2trajectory_8cpp\" kind=\"file\">\n <name>trajectory.cpp</name>\n </compound>\n <compound refid=\"tests_2trajectory_8cpp\" kind=\"file\">\n <name>trajectory.cpp</name>\n </compound>\n- <compound refid=\"trajectory_8h\" kind=\"file\">\n- <name>trajectory.h</name>\n- </compound>\n- <compound refid=\"unionfind_8h\" kind=\"file\">\n- <name>unionfind.h</name>\n- </compound>\n- <compound refid=\"runnercommon_8cpp\" kind=\"file\">\n- <name>runnercommon.cpp</name>\n- </compound>\n- <compound refid=\"runnercommon_8h\" kind=\"file\">\n- <name>runnercommon.h</name>\n- </compound>\n- <compound refid=\"clustsize_8cpp\" kind=\"file\">\n- <name>clustsize.cpp</name>\n- </compound>\n- <compound refid=\"cmdlinerunner_8cpp\" kind=\"file\">\n- <name>cmdlinerunner.cpp</name>\n- </compound>\n- <compound refid=\"tests_2cmdlinerunner_8cpp\" kind=\"file\">\n- <name>cmdlinerunner.cpp</name>\n- </compound>\n- <compound refid=\"gromacs_2trajectoryanalysis_2tests_2moduletest_8cpp\" kind=\"file\">\n- <name>moduletest.cpp</name>\n- </compound>\n- <compound refid=\"programs_2mdrun_2tests_2moduletest_8cpp\" kind=\"file\">\n- <name>moduletest.cpp</name>\n- </compound>\n- <compound refid=\"gromacs_2trajectoryanalysis_2tests_2moduletest_8h\" kind=\"file\">\n- <name>moduletest.h</name>\n- </compound>\n- <compound refid=\"programs_2mdrun_2tests_2moduletest_8h\" kind=\"file\">\n- <name>moduletest.h</name>\n- </compound>\n- <compound refid=\"test__selection_8cpp\" kind=\"file\">\n- <name>test_selection.cpp</name>\n- <member refid=\"test__selection_8cpp_1a0ddf1224851353fc92bfbff6f499fa97\" kind=\"function\">\n- <name>main</name>\n- </member>\n- </compound>\n <compound refid=\"unionfind_8cpp\" kind=\"file\">\n <name>unionfind.cpp</name>\n </compound>\n- <compound refid=\"tests_2topologyinformation_8cpp\" kind=\"file\">\n- <name>topologyinformation.cpp</name>\n+ <compound refid=\"domdec_2utility_8h\" kind=\"file\">\n+ <name>utility.h</name>\n+ <member refid=\"domdec_2utility_8h_1ad8be86df1243f4c4cf275e130ca8c6df\" kind=\"function\">\n+ <name>isDlbOn</name>\n+ </member>\n+ <member refid=\"domdec_2utility_8h_1ad57e700f3ebb0a127187ca3d1b0e8211\" kind=\"function\">\n+ <name>isDlbDisabled</name>\n+ </member>\n+ <member refid=\"domdec_2utility_8h_1a0e6754210d3da6c83df0026fac81c8d7\" kind=\"function\">\n+ <name>dim2char</name>\n+ </member>\n+ <member refid=\"domdec_2utility_8h_1a6f8a7f243efd91fe9555ab433ec54564\" kind=\"function\">\n+ <name>make_tric_corr_matrix</name>\n+ </member>\n+ <member refid=\"domdec_2utility_8h_1abf5bf826810f43d008e33df3fb2bdf1f\" kind=\"function\">\n+ <name>check_screw_box</name>\n+ </member>\n+ <member refid=\"domdec_2utility_8h_1a155480532c8a0a96130c1751c53cc868\" kind=\"function\">\n+ <name>ddGetAtomInfo</name>\n+ </member>\n+ <member refid=\"domdec_2utility_8h_1add55e8ee06aa3b942947af95265badec\" kind=\"function\">\n+ <name>dd_load_count</name>\n+ </member>\n+ <member refid=\"domdec_2utility_8h_1affcd5680a909d4f7e36a42b0c53c0a3b\" kind=\"function\">\n+ <name>dd_resize_atominfo_and_state</name>\n+ </member>\n+ <member refid=\"domdec_2utility_8h_1a348cc51cf67fa4a05a780abdf4643c69\" kind=\"function\">\n+ <name>atomToAtomIntoDomainToDomainCutoff</name>\n+ </member>\n+ <member refid=\"domdec_2utility_8h_1a5d94f58e6d190b2f9e30012f41cb65c2\" kind=\"function\">\n+ <name>domainToDomainIntoAtomToDomainCutoff</name>\n+ </member>\n </compound>\n- <compound refid=\"topologyinformation_8cpp\" kind=\"file\">\n- <name>topologyinformation.cpp</name>\n+ <compound refid=\"utility_8h\" kind=\"file\">\n+ <name>utility.h</name>\n </compound>\n <compound refid=\"alignedallocator_8cpp\" kind=\"file\">\n <name>alignedallocator.cpp</name>\n </compound>\n <compound refid=\"tests_2alignedallocator_8cpp\" kind=\"file\">\n <name>alignedallocator.cpp</name>\n </compound>\n@@ -106988,20 +105680,14 @@\n <member refid=\"group__module__utility_1gaf01d1c3ad5c53222b309237e14009b97\" kind=\"variable\">\n <name>gmxSourceDoiString</name>\n </member>\n </compound>\n <compound refid=\"binaryinformation_8cpp\" kind=\"file\">\n <name>binaryinformation.cpp</name>\n </compound>\n- <compound refid=\"booltype_8cpp\" kind=\"file\">\n- <name>booltype.cpp</name>\n- </compound>\n- <compound refid=\"tests_2booltype_8cpp\" kind=\"file\">\n- <name>booltype.cpp</name>\n- </compound>\n <compound refid=\"compare_8cpp\" kind=\"file\">\n <name>compare.cpp</name>\n <member refid=\"compare_8cpp_1a1e519a5d570e44d59de87a99c1850319\" kind=\"function\">\n <name>cmp_int</name>\n </member>\n <member refid=\"compare_8cpp_1a3b847f3e43f4505e069444afc4d9afa0\" kind=\"function\">\n <name>cmp_int64</name>\n@@ -107288,14 +105974,74 @@\n <member refid=\"basenetwork_8h_1a856663c2fa6ff9a42b99facd16ecba7f\" kind=\"function\">\n <name>gmx_abort</name>\n </member>\n </compound>\n <compound refid=\"binaryinformation_8h\" kind=\"file\">\n <name>binaryinformation.h</name>\n </compound>\n+ <compound refid=\"include_2gromacs_2utility_2bitmask_8h\" kind=\"file\">\n+ <name>bitmask.h</name>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1ac010424c8bddcebd86a1b763e4b45b1e\" kind=\"define\">\n+ <name>BITMASK_SIZE</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a36d974770db6f000fa22d11ec2e703ae\" kind=\"typedef\">\n+ <name>gmx_bitmask_t</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a18f53c59e5ef4fe3f1b1a649da01fd0a\" kind=\"function\">\n+ <name>bitmask_clear</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a5168231ad0b5853459cb773289746f17\" kind=\"function\">\n+ <name>bitmask_set_bit</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1ac5dd57fcf554ecadf7f009008e33be8b\" kind=\"function\">\n+ <name>bitmask_init_bit</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a7ff662ac524c3f80cfa909c40e337eec\" kind=\"function\">\n+ <name>bitmask_init_low_bits</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a0393c9b4ae7479b8a94175ca824da638\" kind=\"function\">\n+ <name>bitmask_is_set</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a8f44d71faaedd70fca3d13deeb28e184\" kind=\"function\">\n+ <name>bitmask_is_disjoint</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1aaa9e0bc87b7c9a5c374df77c89c1a831\" kind=\"function\">\n+ <name>bitmask_is_equal</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a401f50b66873e8949399a4a4a7e5a7e0\" kind=\"function\">\n+ <name>bitmask_is_zero</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a493dcf3cd86ca6ae1bdb530c1e1da513\" kind=\"function\">\n+ <name>bitmask_union</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a9779f1aa514f38cfb6c4fa651ab0cf85\" kind=\"function\">\n+ <name>to_hex_string</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a205d4d90d896181906c7ee156f92d905\" kind=\"function\">\n+ <name>to_hex_string</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1abc49e90631d64a92cf4e3e3bc8961abc\" kind=\"function\">\n+ <name>to_hex_string</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2bitmask_8h\" kind=\"file\">\n+ <name>bitmask.h</name>\n+ <member refid=\"tests_2bitmask_8h_1aa4a16ee87fdc3d8eec077e2ee58cfd8c\" kind=\"define\">\n+ <name>BITMASK_CLASSNAME_</name>\n+ </member>\n+ <member refid=\"tests_2bitmask_8h_1ae98c2c3acbcaf4cebce8326e3ad682cb\" kind=\"define\">\n+ <name>BITMASK_CLASSNAME</name>\n+ </member>\n+ <member refid=\"tests_2bitmask_8h_1ac9fd19466a21d6fe2ef034facd484683\" kind=\"define\">\n+ <name>BITMASK_TEST_P_</name>\n+ </member>\n+ <member refid=\"tests_2bitmask_8h_1a11f46d475da3b27c761458a85876ed82\" kind=\"define\">\n+ <name>BITMASK_TEST_P</name>\n+ </member>\n+ </compound>\n <compound refid=\"booltype_8h\" kind=\"file\">\n <name>booltype.h</name>\n </compound>\n <compound refid=\"compare_8h\" kind=\"file\">\n <name>compare.h</name>\n <member refid=\"compare_8h_1ad40ca9a553b3ccef4e8b0333186bab03\" kind=\"function\">\n <name>equal_real</name>\n@@ -107750,26 +106496,53 @@\n </compound>\n <compound refid=\"keyvaluetree_8cpp\" kind=\"file\">\n <name>keyvaluetree.cpp</name>\n </compound>\n <compound refid=\"keyvaluetreemdpwriter_8cpp\" kind=\"file\">\n <name>keyvaluetreemdpwriter.cpp</name>\n </compound>\n+ <compound refid=\"keyvaluetreeserializer_8cpp\" kind=\"file\">\n+ <name>keyvaluetreeserializer.cpp</name>\n+ <member refid=\"keyvaluetreeserializer_8cpp_1ad48ff27bd039835178a6bd8f572c831f\" kind=\"define\">\n+ <name>SERIALIZER</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2keyvaluetreeserializer_8cpp\" kind=\"file\">\n+ <name>keyvaluetreeserializer.cpp</name>\n+ </compound>\n+ <compound refid=\"keyvaluetreetransform_8cpp\" kind=\"file\">\n+ <name>keyvaluetreetransform.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2keyvaluetreetransform_8cpp\" kind=\"file\">\n+ <name>keyvaluetreetransform.cpp</name>\n+ </compound>\n <compound refid=\"loggerbuilder_8cpp\" kind=\"file\">\n <name>loggerbuilder.cpp</name>\n </compound>\n+ <compound refid=\"message__string__collector_8cpp\" kind=\"file\">\n+ <name>message_string_collector.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2message__string__collector_8cpp\" kind=\"file\">\n+ <name>message_string_collector.cpp</name>\n+ </compound>\n <compound refid=\"mpiinfo_8cpp\" kind=\"file\">\n <name>mpiinfo.cpp</name>\n </compound>\n <compound refid=\"niceheader_8cpp\" kind=\"file\">\n <name>niceheader.cpp</name>\n </compound>\n <compound refid=\"nodelete_8h\" kind=\"file\">\n <name>nodelete.h</name>\n </compound>\n+ <compound refid=\"path_8cpp\" kind=\"file\">\n+ <name>path.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2path_8cpp\" kind=\"file\">\n+ <name>path.cpp</name>\n+ </compound>\n <compound refid=\"pleasecite_8cpp\" kind=\"file\">\n <name>pleasecite.cpp</name>\n <member refid=\"pleasecite_8cpp_1a32d93b9a0ad6e541b08f40f64bda5f4b\" kind=\"define\">\n <name>NSTR</name>\n </member>\n <member refid=\"pleasecite_8cpp_1a330fea445f643d2b44bd1c08022d1cb1\" kind=\"variable\">\n <name>sc_lineWidth</name>\n@@ -107873,74 +106646,14 @@\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@@ -107951,14 +106664,20 @@\n </compound>\n <compound refid=\"bitmask64_8cpp\" kind=\"file\">\n <name>bitmask64.cpp</name>\n <member refid=\"bitmask64_8cpp_1ac010424c8bddcebd86a1b763e4b45b1e\" kind=\"define\">\n <name>BITMASK_SIZE</name>\n </member>\n </compound>\n+ <compound refid=\"booltype_8cpp\" kind=\"file\">\n+ <name>booltype.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2booltype_8cpp\" kind=\"file\">\n+ <name>booltype.cpp</name>\n+ </compound>\n <compound refid=\"cstringutil_8cpp\" kind=\"file\">\n <name>cstringutil.cpp</name>\n <member refid=\"cstringutil_8cpp_1a15be34a1d7b93d10f581b60833afca7a\" kind=\"define\">\n <name>COMMENTSIGN</name>\n </member>\n <member refid=\"cstringutil_8cpp_1a929ed36fc580abd4984ae5500adbf9c3\" kind=\"variable\">\n <name>gmx_string_hash_init</name>\n@@ -108029,50 +106748,23 @@\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=\"keyvaluetreeserializer_8cpp\" kind=\"file\">\n- <name>keyvaluetreeserializer.cpp</name>\n- <member refid=\"keyvaluetreeserializer_8cpp_1ad48ff27bd039835178a6bd8f572c831f\" kind=\"define\">\n- <name>SERIALIZER</name>\n- </member>\n- </compound>\n- <compound refid=\"tests_2keyvaluetreeserializer_8cpp\" kind=\"file\">\n- <name>keyvaluetreeserializer.cpp</name>\n- </compound>\n- <compound refid=\"keyvaluetreetransform_8cpp\" kind=\"file\">\n- <name>keyvaluetreetransform.cpp</name>\n- </compound>\n- <compound refid=\"tests_2keyvaluetreetransform_8cpp\" kind=\"file\">\n- <name>keyvaluetreetransform.cpp</name>\n- </compound>\n <compound refid=\"listoflists_8cpp\" kind=\"file\">\n <name>listoflists.cpp</name>\n </compound>\n <compound refid=\"logger_8cpp\" kind=\"file\">\n <name>logger.cpp</name>\n </compound>\n <compound refid=\"tests_2logger_8cpp\" kind=\"file\">\n <name>logger.cpp</name>\n </compound>\n- <compound refid=\"message__string__collector_8cpp\" kind=\"file\">\n- <name>message_string_collector.cpp</name>\n- </compound>\n- <compound refid=\"tests_2message__string__collector_8cpp\" kind=\"file\">\n- <name>message_string_collector.cpp</name>\n- </compound>\n- <compound refid=\"path_8cpp\" kind=\"file\">\n- <name>path.cpp</name>\n- </compound>\n- <compound refid=\"tests_2path_8cpp\" kind=\"file\">\n- <name>path.cpp</name>\n- </compound>\n <compound refid=\"physicalnodecommunicator_8cpp\" kind=\"file\">\n <name>physicalnodecommunicator.cpp</name>\n </compound>\n <compound refid=\"tests_2physicalnodecommunicator_8cpp\" kind=\"file\">\n <name>physicalnodecommunicator.cpp</name>\n </compound>\n <compound refid=\"physicalnodecommunicator__mpi_8cpp\" kind=\"file\">\n@@ -108185,17 +106877,497 @@\n </compound>\n <compound refid=\"mdrun_8cpp\" kind=\"file\">\n <name>mdrun.cpp</name>\n </compound>\n <compound refid=\"mdrun__main_8h\" kind=\"file\">\n <name>mdrun_main.h</name>\n </compound>\n+ <compound refid=\"nonbonded__bench_8cpp\" kind=\"file\">\n+ 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refid=\"gromacs_2swap_2swapcoords_8cpp_1ae181920c52dccba979a4a541f6fa09b7\" kind=\"function\">\n+ <name>sortMoleculesIntoCompartments</name>\n+ </member>\n+ <member refid=\"gromacs_2swap_2swapcoords_8cpp_1a2ba5c82e0b901b0d2bc8190f9fb1d1bb\" kind=\"function\">\n+ <name>get_initial_ioncounts</name>\n+ </member>\n+ <member refid=\"gromacs_2swap_2swapcoords_8cpp_1a63688a2d96a14be60358babedf842922\" kind=\"function\">\n+ <name>get_initial_ioncounts_from_cpt</name>\n+ </member>\n+ <member refid=\"gromacs_2swap_2swapcoords_8cpp_1a967c28c3b3457b867cf760e04ba9a5ea\" kind=\"function\">\n+ <name>bc_initial_concentrations</name>\n+ </member>\n+ <member refid=\"gromacs_2swap_2swapcoords_8cpp_1a32007e69dbe1fc1ea4a019806ffef227\" kind=\"function\">\n+ <name>check_swap_groups</name>\n+ </member>\n+ <member refid=\"gromacs_2swap_2swapcoords_8cpp_1af369e4b1d0fb8724e25cf35d0156f289\" kind=\"function\">\n+ <name>get_group_apm_check</name>\n+ </member>\n+ <member 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refid=\"gromacs_2swap_2swapcoords_8cpp_1a2403a53b125b6939029cab9e2bfa79b1\" kind=\"function\">\n+ <name>convertOldToNewGroupFormat</name>\n+ </member>\n+ <member refid=\"gromacs_2swap_2swapcoords_8cpp_1aac49b9b79589120e5f86736f19b5fb40\" kind=\"function\">\n+ <name>bConvertFromOldTpr</name>\n+ </member>\n+ <member refid=\"gromacs_2swap_2swapcoords_8cpp_1a303ae27c677039d081ec123cb7bb1193\" kind=\"function\">\n+ <name>init_swapcoords</name>\n+ </member>\n+ <member refid=\"gromacs_2swap_2swapcoords_8cpp_1a5a6ba54e3bb30f694792a72fe983d415\" kind=\"function\">\n+ <name>finish_swapcoords</name>\n+ </member>\n+ <member refid=\"gromacs_2swap_2swapcoords_8cpp_1a1fa7ca9014ca6b09094e24146e4f7139\" kind=\"function\">\n+ <name>need_swap</name>\n+ </member>\n+ <member refid=\"gromacs_2swap_2swapcoords_8cpp_1aee789cd0e8c00d7ea9bbc4ca285cb993\" kind=\"function\">\n+ <name>get_index_of_distant_atom</name>\n+ </member>\n+ <member refid=\"gromacs_2swap_2swapcoords_8cpp_1af85436adf396ea680ef5b6707a65a6f5\" kind=\"function\">\n+ <name>translate_positions</name>\n+ </member>\n+ <member refid=\"gromacs_2swap_2swapcoords_8cpp_1af426484af74eda2d806a103064d8c11b\" kind=\"function\">\n+ <name>apply_modified_positions</name>\n+ </member>\n+ <member refid=\"gromacs_2swap_2swapcoords_8cpp_1ac6ec8dd8a6224b7af40e455a3f7c148b\" kind=\"function\">\n+ <name>do_swapcoords</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"programs_2mdrun_2tests_2swapcoords_8cpp\" kind=\"file\">\n+ <name>swapcoords.cpp</name>\n+ </compound>\n <compound refid=\"tabulated__bonded__interactions_8cpp\" kind=\"file\">\n <name>tabulated_bonded_interactions.cpp</name>\n </compound>\n <compound refid=\"termination_8cpp\" kind=\"file\">\n <name>termination.cpp</name>\n </compound>\n <compound refid=\"terminationhelper_8cpp\" kind=\"file\">\n@@ -108308,14 +108299,23 @@\n </compound>\n <compound refid=\"terminationhelper_8h\" kind=\"file\">\n <name>terminationhelper.h</name>\n </compound>\n <compound refid=\"tpitest_8cpp\" kind=\"file\">\n <name>tpitest.cpp</name>\n </compound>\n+ <compound refid=\"gromacs_2mdlib_2trajectory__writing_8cpp\" kind=\"file\">\n+ <name>trajectory_writing.cpp</name>\n+ <member refid=\"gromacs_2mdlib_2trajectory__writing_8cpp_1a4bea5f5cea08742a8c5fdeec55f76663\" kind=\"function\">\n+ <name>do_md_trajectory_writing</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"programs_2mdrun_2tests_2trajectory__writing_8cpp\" kind=\"file\">\n+ <name>trajectory_writing.cpp</name>\n+ </compound>\n <compound refid=\"trajectorycomparison_8cpp\" kind=\"file\">\n <name>trajectorycomparison.cpp</name>\n </compound>\n <compound refid=\"trajectorycomparison_8h\" kind=\"file\">\n <name>trajectorycomparison.h</name>\n </compound>\n <compound refid=\"virtualsites_8cpp\" kind=\"file\">\n@@ -108473,14 +108473,20 @@\n </compound>\n <compound refid=\"trajectoryreader_8h\" kind=\"file\">\n <name>trajectoryreader.h</name>\n </compound>\n <compound refid=\"xvgtest_8h\" kind=\"file\">\n <name>xvgtest.h</name>\n </compound>\n+ <compound refid=\"interactivetest_8cpp\" kind=\"file\">\n+ <name>interactivetest.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2interactivetest_8cpp\" kind=\"file\">\n+ <name>interactivetest.cpp</name>\n+ </compound>\n <compound refid=\"loggertest_8cpp\" kind=\"file\">\n <name>loggertest.cpp</name>\n </compound>\n <compound refid=\"mpi__printer_8cpp\" kind=\"file\">\n <name>mpi_printer.cpp</name>\n </compound>\n <compound refid=\"mpi__printer_8h\" kind=\"file\">\n@@ -108530,20 +108536,14 @@\n </compound>\n <compound refid=\"testmatchers_8cpp\" kind=\"file\">\n <name>testmatchers.cpp</name>\n </compound>\n <compound refid=\"testoptions_8cpp\" kind=\"file\">\n <name>testoptions.cpp</name>\n </compound>\n- <compound refid=\"interactivetest_8cpp\" kind=\"file\">\n- <name>interactivetest.cpp</name>\n- </compound>\n- <compound refid=\"tests_2interactivetest_8cpp\" kind=\"file\">\n- <name>interactivetest.cpp</name>\n- </compound>\n <compound refid=\"mpitest_8cpp\" kind=\"file\">\n <name>mpitest.cpp</name>\n </compound>\n <compound refid=\"tests_2mpitest_8cpp\" kind=\"file\">\n <name>mpitest.cpp</name>\n </compound>\n <compound refid=\"naming_8cpp\" kind=\"file\">\n"}]}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/xml/todo.xml.gz", "source2": "./usr/share/doc/gromacs/html/doxygen/xml/todo.xml.gz", "unified_diff": null, "details": [{"source1": "todo.xml", "source2": "todo.xml", "unified_diff": null, "details": [{"source1": "todo.xml", "source2": "todo.xml", "unified_diff": "@@ -2663,15 +2663,15 @@\n <anchor id=\"todo_1_todo000152\"/>\n Change this to class\n </para>\n </listitem>\n <varlistentry>\n <term>\n Member\n- <ref refid=\"pme_8cpp_1a39e800d9a258e0c8a553fa7b71e10dcf\" kindref=\"member\">gmx_pme_init</ref>\n+ <ref refid=\"pme_8h_1a39e800d9a258e0c8a553fa7b71e10dcf\" kindref=\"member\">gmx_pme_init</ref>\n (const\n <ref refid=\"structt__commrec\" kindref=\"compound\">t_commrec</ref>\n *cr, const\n <ref refid=\"structNumPmeDomains\" kindref=\"compound\">NumPmeDomains</ref>\n &numPmeDomains, const\n <ref refid=\"structt__inputrec\" kindref=\"compound\">t_inputrec</ref>\n *ir, const matrix box, real haloExtentForAtomDisplacement, gmx_bool bFreeEnergy_q, gmx_bool bFreeEnergy_lj, gmx_bool bReproducible, real ewaldcoeff_q, real ewaldcoeff_lj, int nthread, PmeRunMode runMode,\n@@ -3202,15 +3202,15 @@\n <ndash/>\n renaming coefficients to charges (?)\n </para>\n </listitem>\n <varlistentry>\n <term>\n Member\n- <ref refid=\"pme_8cpp_1a9cfbe9fa691aabaf1a9e10fa06858c96\" kindref=\"member\">pme_run_mode</ref>\n+ <ref refid=\"pme_8h_1a9cfbe9fa691aabaf1a9e10fa06858c96\" kindref=\"member\">pme_run_mode</ref>\n (const gmx_pme_t *pme)\n </term>\n </varlistentry>\n <listitem>\n <para>\n <anchor id=\"todo_1_todo000025\"/>\n This is a rather static data that should be managed by the higher level task scheduler.\n"}]}]}, {"source1": "./usr/share/doc/gromacs/html/manual-2025.1-Debian_2025.1_1.pdf", "source2": "./usr/share/doc/gromacs/html/manual-2025.1-Debian_2025.1_1.pdf", "unified_diff": null, "details": [{"source1": "pdftotext {} -", "source2": "pdftotext {} -", "unified_diff": "@@ -17658,15 +17658,15 @@\n Lindahl, Erik Marklund, Pieter Meulenhoff, Teemu Murtola, Sander Pronk, Alfons Sijbers, Balint Soproni, David\n van der Spoel, Peter Tieleman, Carsten Uphoff, Jon Vincent, Teemu Virolainen, Christian Wennberg, Maarten\n Wolf, Artem Zhmurov\n Project leaders: Berk Hess, Erik Lindahl\n \u00a9 1991 \u2013 2000:\n Department of Biophysical Chemistry, University of Groningen. Nijenborgh 4, 9747 AG Groningen,\n The Netherlands.\n-\u00a9 2001 \u2013 2026:\n+\u00a9 2001 \u2013 2025:\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": "@@ -4457,15 +4457,15 @@\n 00011680: 6973 7472 792c 2055 6e69 7665 7273 6974 istry, Universit\n 00011690: 7920 6f66 2047 726f 6e69 6e67 656e 2e0a y of Groningen..\n 000116a0: 4e69 6a65 6e62 6f72 6768 2034 2c20 3937 Nijenborgh 4, 97\n 000116b0: 3437 2041 4720 4772 6f6e 696e 6765 6e2c 47 AG Groningen,\n 000116c0: 2054 6865 204e 6574 6865 726c 616e 6473 The Netherlands\n 000116d0: 2e3c 2f70 3e0a 3c2f 6469 763e 3c2f 626c .</p>.</div></bl\n 000116e0: 6f63 6b71 756f 7465 3e0a 3c70 3ec2 a920 ockquote>.<p>.. \n-000116f0: 3230 3031 20e2 8093 2032 3032 363a 3c2f 2001 ... 2026:</\n+000116f0: 3230 3031 20e2 8093 2032 3032 353a 3c2f 2001 ... 2025:</\n 00011700: 703e 0a3c 626c 6f63 6b71 756f 7465 3e0a p>.<blockquote>.\n 00011710: 3c64 6976 3e3c 703e 5468 6520 4752 4f4d <div><p>The GROM\n 00011720: 4143 5320 6465 7665 6c6f 706d 656e 7420 ACS development \n 00011730: 7465 616d 7320 6174 2074 6865 2052 6f79 teams at the Roy\n 00011740: 616c 2049 6e73 7469 7475 7465 206f 6620 al Institute of \n 00011750: 5465 6368 6e6f 6c6f 6779 2061 6e64 0a55 Technology and.U\n 00011760: 7070 7361 6c61 2055 6e69 7665 7273 6974 ppsala Universit\n", "details": [{"source1": "html2text {}", "source2": "html2text {}", "unified_diff": "@@ -457,15 +457,15 @@\n Lindahl, Erik Marklund, Pieter Meulenhoff, Teemu Murtola, Sander Pronk, Alfons\n Sijbers, Balint Soproni, David van der Spoel, Peter Tieleman, Carsten Uphoff,\n Jon Vincent, Teemu Virolainen, Christian Wennberg, Maarten Wolf, Artem Zhmurov\n Project leaders: Berk Hess, Erik Lindahl\n \u00a9 1991 \u2013 2000:\n Department of Biophysical Chemistry, University of Groningen.\n Nijenborgh 4, 9747 AG Groningen, The Netherlands.\n-\u00a9 2001 \u2013 2026:\n+\u00a9 2001 \u2013 2025:\n The GROMACS development teams at the Royal Institute of Technology\n and Uppsala University, Sweden.\n This manual is not complete and has no pretension to be so, due to lack of time\n of the contributors \u2013 our first priority is to improve the software. It is\n worked on continuously, which in some cases might mean the information is not\n entirely correct.\n Comments on form and content are welcome, please send them to the _\bu_\bs_\be_\br\n"}]}, {"source1": "./usr/share/doc/gromacs/html/searchindex.js", "source2": "./usr/share/doc/gromacs/html/searchindex.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -11088,15 +11088,15 @@\n \"2019\": [30, 38, 193, 204, 239, 240, 241, 242, 259, 265, 266, 267, 268, 269, 282, 294, 371],\n \"2020\": [4, 11, 15, 17, 28, 38, 180, 193, 255, 275, 281, 282, 283, 284, 285, 286, 287, 311, 337, 348, 371],\n \"2021\": [38, 193, 266, 269, 270, 291, 297, 298, 299, 300, 301, 302, 311, 326, 371],\n \"2022\": [0, 17, 27, 28, 38, 271, 285, 286, 307, 313, 314, 315, 316, 317, 318, 327, 371],\n \"2023\": [38, 122, 193, 287, 301, 302, 323, 329, 330, 331, 332, 333, 334, 371],\n \"2024\": [37, 38, 80, 83, 122, 195, 242, 315, 316, 317, 318, 339, 345, 352, 353, 366],\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, 346, 347, 349, 350, 351, 352, 353, 354, 355, 357, 358, 359, 360, 361, 362, 363, 364, 365, 366, 367, 368, 369, 370, 371, 372, 373, 374, 375],\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],\n+ \"2026\": [249, 356],\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"}]}]}]}]}]}