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\"13.37\"/>.<text \n-00002d90: 7465 7874 2d61 6e63 686f 723d 226d 6964 text-anchor=\"mid\n-00002da0: 646c 6522 2078 3d22 3838 3322 2079 3d22 dle\" x=\"883\" y=\"\n-00002db0: 2d39 3639 2e39 3922 2066 6f6e 742d 6661 -969.99\" font-fa\n-00002dc0: 6d69 6c79 3d22 4672 6565 5361 6e73 2220 mily=\"FreeSans\" \n-00002dd0: 666f 6e74 2d73 697a 653d 2231 302e 3030 font-size=\"10.00\n-00002de0: 223e 616e 616c 7973 6973 6461 7461 3c2f \">analysisdata</\n-00002df0: 7465 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a text>.</a>.</g>.\n-00002e00: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-00002e10: 5f73 7263 5f67 726f 6d61 6373 5f74 7261 _src_gromacs_tra\n-00002e20: 6a65 6374 6f72 7961 6e61 6c79 7369 7326 jectoryanalysis&\n-00002e30: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00002e40: 7263 5f67 726f 6d61 6373 5f61 6e61 6c79 rc_gromacs_analy\n-00002e50: 7369 7364 6174 6120 2d2d 3e0a 3c67 2069 sisdata -->.<g i\n-00002e60: 643d 2265 6467 6533 2220 636c 6173 733d d=\"edge3\" class=\n-00002e70: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-00002e80: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00002e90: 735f 7472 616a 6563 746f 7279 616e 616c s_trajectoryanal\n-00002ea0: 7973 6973 2623 3435 3b26 6774 3b6d 6f64 ysis->mod\n-00002eb0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00002ec0: 616e 616c 7973 6973 6461 7461 3c2f 7469 analysisdata</ti\n-00002ed0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00002ee0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00002ef0: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-00002f00: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-00002f10: 3d22 4d39 3536 2e30 322c 2d31 3032 322e =\"M956.02,-1022.\n-00002f20: 3333 4339 3432 2e36 2c2d 3130 3133 2e33 33C942.6,-1013.3\n-00002f30: 3520 3932 342e 3036 2c2d 3130 3030 2e39 5 924.06,-1000.9\n-00002f40: 3520 3930 392e 3032 2c2d 3939 302e 3839 5 909.02,-990.89\n-00002f50: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-00002f60: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n-00002f70: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n-00002f80: 6e74 733d 2239 3130 2e38 392c 2d39 3837 nts=\"910.89,-987\n-00002f90: 2e39 3320 3930 302e 3633 2c2d 3938 352e .93 900.63,-985.\n-00002fa0: 3238 2039 3037 2c2d 3939 332e 3735 2039 28 907,-993.75 9\n-00002fb0: 3130 2e38 392c 2d39 3837 2e39 3322 2f3e 10.89,-987.93\"/>\n-00002fc0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-00002fd0: 655f 7372 635f 6772 6f6d 6163 735f 7374 e_src_gromacs_st\n-00002fe0: 6174 6973 7469 6373 202d 2d3e 0a3c 6720 atistics -->.<g \n-00002ff0: 6964 3d22 6e6f 6465 3338 2220 636c 6173 id=\"node38\" clas\n-00003000: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65 s=\"node\">.<title\n-00003010: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-00003020: 6163 735f 7374 6174 6973 7469 6373 3c2f acs_statistics</\n-00003030: 7469 746c 653e 0a3c 656c 6c69 7073 6520 title>.<ellipse \n-00003040: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n-00003050: 7472 6f6b 653d 2262 6c61 636b 2220 6378 troke=\"black\" cx\n-00003060: 3d22 3131 3036 2220 6379 3d22 2d39 3732 =\"1106\" cy=\"-972\n-00003070: 2e34 3922 2072 783d 2233 392e 3722 2072 .49\" rx=\"39.7\" r\n-00003080: 793d 2231 332e 3337 222f 3e0a 3c74 6578 y=\"13.37\"/>.<tex\n-00003090: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n-000030a0: 6964 646c 6522 2078 3d22 3131 3036 2220 iddle\" x=\"1106\" \n-000030b0: 793d 222d 3936 392e 3939 2220 666f 6e74 y=\"-969.99\" font\n-000030c0: 2d66 616d 696c 793d 2246 7265 6553 616e -family=\"FreeSan\n-000030d0: 7322 2066 6f6e 742d 7369 7a65 3d22 3130 s\" font-size=\"10\n-000030e0: 2e30 3022 3e73 7461 7469 7374 6963 733c .00\">statistics<\n-000030f0: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d /text>.</g>.<!--\n-00003100: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-00003110: 6163 735f 7472 616a 6563 746f 7279 616e acs_trajectoryan\n-00003120: 616c 7973 6973 2623 3435 3b26 6774 3b6d alysis->m\n-00003130: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00003140: 735f 7374 6174 6973 7469 6373 202d 2d3e s_statistics -->\n-00003150: 0a3c 6720 6964 3d22 6564 6765 3622 2063 .<g id=\"edge6\" c\n-00003160: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-00003170: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00003180: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n-00003190: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n-000031a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-000031b0: 6d61 6373 5f73 7461 7469 7374 6963 733c macs_statistics<\n-000031c0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-000031d0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-000031e0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-000031f0: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-00003200: 2220 643d 224d 3939 382e 3833 2c2d 3130 \" d=\"M998.83,-10\n-00003210: 3232 2e39 3143 3130 3230 2e33 362c 2d31 22.91C1020.36,-1\n-00003220: 3031 322e 3938 2031 3035 312e 3632 2c2d 012.98 1051.62,-\n-00003230: 3939 382e 3536 2031 3037 342e 3833 2c2d 998.56 1074.83,-\n-00003240: 3938 372e 3836 222f 3e0a 3c70 6f6c 7967 987.86\"/>.<polyg\n-00003250: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n-00003260: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n-00003270: 6322 2070 6f69 6e74 733d 2231 3037 362e c\" points=\"1076.\n-00003280: 332c 2d39 3931 2e30 3420 3130 3833 2e39 3,-991.04 1083.9\n-00003290: 322c 2d39 3833 2e36 3720 3130 3733 2e33 2,-983.67 1073.3\n-000032a0: 372c 2d39 3834 2e36 3820 3130 3736 2e33 7,-984.68 1076.3\n-000032b0: 2c2d 3939 312e 3034 222f 3e0a 3c2f 673e ,-991.04\"/>.</g>\n-000032c0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-000032d0: 5f67 726f 6d61 6373 5f72 616e 646f 6d20 _gromacs_random \n-000032e0: 2d2d 3e0a 3c67 2069 643d 226e 6f64 6534 -->.<g id=\"node4\n-000032f0: 3522 2063 6c61 7373 3d22 6e6f 6465 223e 5\" class=\"node\">\n-00003300: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00003310: 7263 5f67 726f 6d61 6373 5f72 616e 646f rc_gromacs_rando\n-00003320: 6d3c 2f74 6974 6c65 3e0a 3c67 2069 643d m...\n-000033e0: 3c74 6578 7420 7465 7874 2d61 6e63 686f random<\n-00003440: 2f74 6578 743e 0a3c 2f61 3e0a 3c2f 673e /text>..\n-00003450: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module\n-000034d0: 5f73 7263 5f67 726f 6d61 6373 5f74 7261 _src_gromacs_tra\n-000034e0: 6a65 6374 6f72 7961 6e61 6c79 7369 7326 jectoryanalysis&\n-000034f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00003500: 7263 5f67 726f 6d61 6373 5f72 616e 646f rc_gromacs_rando\n-00003510: 6d3c 2f74 6974 6c65 3e0a 3c70 6174 6820 m.\n-00003620: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..<\n-00003690: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...\n-000036d0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-000036e0: 635f 6772 6f6d 6163 735f 696d 643c 2f74 c_gromacs_imd</t\n-000036f0: 6974 6c65 3e0a 3c67 2069 643d 2261 5f6e itle>.<g id=\"a_n\n-00003700: 6f64 6533 223e 3c61 2078 6c69 6e6b 3a68 ode3\"><a xlink:h\n-00003710: 7265 663d 2267 726f 7570 5f5f 6d6f 6475 ref=\"group__modu\n-00003720: 6c65 5f5f 696d 642e 7868 746d 6c22 2074 le__imd.xhtml\" t\n-00003730: 6172 6765 743d 225f 746f 7022 2078 6c69 arget=\"_top\" xli\n-00003740: 6e6b 3a74 6974 6c65 3d22 696d 6422 3e0a nk:title=\"imd\">.\n-00003750: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 <ellipse fill=\"#\n-00003760: 6535 6363 6666 2220 7374 726f 6b65 3d22 e5ccff\" stroke=\"\n-00003770: 626c 6163 6b22 2063 783d 2231 3733 3722 black\" cx=\"1737\"\n-00003780: 2063 793d 222d 3430 362e 3636 2220 7278 cy=\"-406.66\" rx\n-00003790: 3d22 3237 2220 7279 3d22 3133 2e33 3722 =\"27\" ry=\"13.37\"\n-000037a0: 2f3e 0a3c 7465 7874 2074 6578 742d 616e />.<text text-an\n-000037b0: 6368 6f72 3d22 6d69 6464 6c65 2220 783d chor=\"middle\" x=\n-000037c0: 2231 3733 3722 2079 3d22 2d34 3034 2e31 \"1737\" y=\"-404.1\n-000037d0: 3622 2066 6f6e 742d 6661 6d69 6c79 3d22 6\" font-family=\"\n-000037e0: 4672 6565 5361 6e73 2220 666f 6e74 2d73 FreeSans\" font-s\n-000037f0: 697a 653d 2231 302e 3030 223e 696d 643c ize=\"10.00\">imd<\n-00003800: 2f74 6578 743e 0a3c 2f61 3e0a 3c2f 673e /text>.</a>.</g>\n-00003810: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-00003820: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n-00003830: 6d64 6563 202d 2d3e 0a3c 6720 6964 3d22 mdec -->.<g id=\"\n-00003840: 6e6f 6465 3822 2063 6c61 7373 3d22 6e6f node8\" class=\"no\n-00003850: 6465 223e 0a3c 7469 746c 653e 6d6f 6475 de\">.<title>modu\n-00003860: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n-00003870: 6f6d 6465 633c 2f74 6974 6c65 3e0a 3c67 omdec...domde\n-00003990: 633c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f c......mo\n-00003a10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00003a20: 5f69 6d64 2623 3435 3b26 6774 3b6d 6f64 _imd->mod\n-00003a30: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00003a40: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c domdec.<\n-00003a50: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00003a60: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00003a70: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-00003a80: 6179 3d22 352c 3222 2064 3d22 4d31 3731 ay=\"5,2\" d=\"M171\n-00003a90: 342e 3838 2c2d 3431 342e 3531 4331 3634 4.88,-414.51C164\n-00003aa0: 322e 3039 2c2d 3433 352e 3332 2031 3431 2.09,-435.32 141\n-00003ab0: 302e 3337 2c2d 3439 372e 3834 2031 3331 0.37,-497.84 131\n-00003ac0: 372e 3231 2c2d 3532 312e 3835 222f 3e0a 7.21,-521.85\"/>.\n-00003ad0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....m\n-00003b90: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00003ba0: 735f 6d64 6c69 623c 2f74 6974 6c65 3e0a s_mdlib.\n-00003bb0: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .mdl\n-00003c60: 6962 3c2f 7465 7874 3e0a 3c2f 673e 0a3c ib..<\n-00003c70: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00003c80: 726f 6d61 6373 5f69 6d64 2623 3435 3b26 romacs_imd-&\n-00003c90: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00003ca0: 6f6d 6163 735f 6d64 6c69 6220 2d2d 3e0a omacs_mdlib -->.\n-00003cb0: 3c67 2069 643d 2265 6467 6531 3322 2063 .module_src_g\n-00003ce0: 726f 6d61 6373 5f69 6d64 2623 3435 3b26 romacs_imd-&\n-00003cf0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00003d00: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974 omacs_mdlib......\n-00003e80: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-00003e90: 635f 6772 6f6d 6163 735f 696d 6426 2334 c_gromacs_imd\n-00003ea0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00003eb0: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64 _gromacs_command\n-00003ec0: 6c69 6e65 3c2f 7469 746c 653e 0a3c 7061 line.\n-00003fd0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n-00004040: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ...<\n-00004070: 6720 6964 3d22 6e6f 6465 3230 2220 636c g id=\"node20\" cl\n-00004080: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n-000040a0: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n-000040b0: 7479 3c2f 7469 746c 653e 0a3c 6720 6964 ty...mdrunutil\n-000041e0: 6974 793c 2f74 6578 743e 0a3c 2f61 3e0a ity..\n-000041f0: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d ....\n-00004620: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00004630: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65 cs_gmxlib</title\n-00004640: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d >.<ellipse fill=\n-00004650: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n-00004660: 3d22 626c 6163 6b22 2063 783d 2231 3733 =\"black\" cx=\"173\n-00004670: 3322 2063 793d 222d 3932 2e33 3122 2072 3\" cy=\"-92.31\" r\n-00004680: 783d 2233 312e 3634 2220 7279 3d22 3133 x=\"31.64\" ry=\"13\n-00004690: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578 .37\"/>.<text tex\n-000046a0: 742d 616e 6368 6f72 3d22 6d69 6464 6c65 t-anchor=\"middle\n-000046b0: 2220 783d 2231 3733 3322 2079 3d22 2d38 \" x=\"1733\" y=\"-8\n-000046c0: 392e 3831 2220 666f 6e74 2d66 616d 696c 9.81\" font-famil\n-000046d0: 793d 2246 7265 6553 616e 7322 2066 6f6e y=\"FreeSans\" fon\n-000046e0: 742d 7369 7a65 3d22 3130 2e30 3022 3e67 t-size=\"10.00\">g\n-000046f0: 6d78 6c69 623c 2f74 6578 743e 0a3c 2f67 mxlib</text>.</g\n-00004700: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00004710: 635f 6772 6f6d 6163 735f 696d 6426 2334 c_gromacs_imd\n-00004720: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00004730: 5f67 726f 6d61 6373 5f67 6d78 6c69 6220 _gromacs_gmxlib \n-00004740: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-00004750: 3222 2063 6c61 7373 3d22 6564 6765 223e 2\" class=\"edge\">\n-00004760: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00004770: 7263 5f67 726f 6d61 6373 5f69 6d64 2623 rc_gromacs_imd&#\n-00004780: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00004790: 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6d61 6373 dule_src_gromacs\n-00007ba0: 5f64 6f6d 6465 6326 2334 353b 2667 743b _domdec->\n-00007bb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00007bc0: 6373 5f65 7761 6c64 3c2f 7469 746c 653e cs_ewald\n-00007bd0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gro\n-00007d20: 6d61 6373 5f64 6f6d 6465 6326 2334 353b macs_domdec-\n-00007d30: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00007d40: 726f 6d61 6373 5f68 6172 6477 6172 653c romacs_hardware<\n-00007d50: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>....\n-00007ec0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .\n-00007f20: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00007f30: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-00007f40: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n-00007f50: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-00007f60: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib......<\n-00008100: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00008110: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n-00008120: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00008130: 7263 5f67 726f 6d61 6373 5f6e 626e 786d rc_gromacs_nbnxm\n-00008140: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n-00008220: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....mo\n-000082e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000082f0: 5f63 6f6d 7061 743c 2f74 6974 6c65 3e0a _compat.\n-00008300: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .comp\n-000083b0: 6174 3c2f 7465 7874 3e0a 3c2f 673e 0a3c at..<\n-000083c0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-000083d0: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n-000083e0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000083f0: 5f67 726f 6d61 6373 5f63 6f6d 7061 7420 _gromacs_compat \n-00008400: 2d2d 3e0a 3c67 2069 643d 2265 6467 6534 -->.\n-00008420: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00008430: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-00008440: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n-00008450: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n-00008460: 7061 743c 2f74 6974 6c65 3e0a 3c70 6174 pat......mo\n-000087a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000087b0: 5f6c 6973 7465 645f 666f 7263 6573 3c2f _listed_forces</\n-000087c0: 7469 746c 653e 0a3c 6720 6964 3d22 615f title>.<g id=\"a_\n-000087d0: 6e6f 6465 3231 223e 3c61 2078 6c69 6e6b node21\"><a xlink\n-000087e0: 3a68 7265 663d 2267 726f 7570 5f5f 6d6f :href=\"group__mo\n-000087f0: 6475 6c65 5f5f 6c69 7374 6564 5f5f 666f dule__listed__fo\n-00008800: 7263 6573 2e78 6874 6d6c 2220 7461 7267 rces.xhtml\" targ\n-00008810: 6574 3d22 5f74 6f70 2220 786c 696e 6b3a et=\"_top\" xlink:\n-00008820: 7469 746c 653d 226c 6973 7465 645f 666f title=\"listed_fo\n-00008830: 7263 6573 223e 0a3c 656c 6c69 7073 6520 rces\">.<ellipse \n-00008840: 6669 6c6c 3d22 2365 3563 6366 6622 2073 fill=\"#e5ccff\" s\n-00008850: 7472 6f6b 653d 2262 6c61 636b 2220 6378 troke=\"black\" cx\n-00008860: 3d22 3936 3922 2063 793d 222d 3135 352e =\"969\" cy=\"-155.\n-00008870: 3138 2220 7278 3d22 3530 2e38 3222 2072 18\" rx=\"50.82\" r\n-00008880: 793d 2231 332e 3337 222f 3e0a 3c74 6578 y=\"13.37\"/>.<tex\n-00008890: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n-000088a0: 6964 646c 6522 2078 3d22 3936 3922 2079 iddle\" x=\"969\" y\n-000088b0: 3d22 2d31 3532 2e36 3822 2066 6f6e 742d =\"-152.68\" font-\n-000088c0: 6661 6d69 6c79 3d22 4672 6565 5361 6e73 family=\"FreeSans\n-000088d0: 2220 666f 6e74 2d73 697a 653d 2231 302e \" font-size=\"10.\n-000088e0: 3030 223e 6c69 7374 6564 5f66 6f72 6365 00\">listed_force\n-000088f0: 733c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f s</text>.</a>.</\n-00008900: 673e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 g>.</g>.<!-- mod\n-00008910: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00008920: 646f 6d64 6563 2623 3435 3b26 6774 3b6d domdec->m\n-00008930: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00008940: 735f 6c69 7374 6564 5f66 6f72 6365 7320 s_listed_forces \n-00008950: 2d2d 3e0a 3c67 2069 643d 2265 6467 6534 -->.<g id=\"edge4\n-00008960: 3322 2063 6c61 7373 3d22 6564 6765 223e 3\" class=\"edge\">\n-00008970: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00008980: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-00008990: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n-000089a0: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973 _src_gromacs_lis\n-000089b0: 7465 645f 666f 7263 6573 3c2f 7469 746c ted_forces</titl\n-000089c0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-000089d0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-000089e0: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-000089f0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-00008a00: 4d31 3235 372e 3234 2c2d 3532 312e 3443 M1257.24,-521.4C\n-00008a10: 3132 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3834 5.26,-170.64 984\n-00008b00: 2e39 382c 2d31 3638 2e30 3920 3939 312e .98,-168.09 991.\n-00008b10: 3433 2c2d 3137 362e 3520 3939 352e 3236 43,-176.5 995.26\n-00008b20: 2c2d 3137 302e 3634 222f 3e0a 3c2f 673e ,-170.64\"/>.</g>\n-00008b30: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-00008b40: 5f67 726f 6d61 6373 5f6d 6472 756e 202d _gromacs_mdrun -\n-00008b50: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3232 ->.<g id=\"node22\n-00008b60: 2220 636c 6173 733d 226e 6f64 6522 3e0a \" class=\"node\">.\n-00008b70: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00008b80: 635f 6772 6f6d 6163 735f 6d64 7275 6e3c c_gromacs_mdrun<\n-00008b90: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261 /title>.<g id=\"a\n-00008ba0: 5f6e 6f64 6532 3222 3e3c 6120 786c 696e _node22\"><a xlin\n-00008bb0: 6b3a 6872 6566 3d22 6772 6f75 705f 5f6d k:href=\"group__m\n-00008bc0: 6f64 756c 655f 5f6d 6472 756e 2e78 6874 odule__mdrun.xht\n-00008bd0: 6d6c 2220 7461 7267 6574 3d22 5f74 6f70 ml\" target=\"_top\n-00008be0: 2220 786c 696e 6b3a 7469 746c 653d 226d \" xlink:title=\"m\n-00008bf0: 6472 756e 223e 0a3c 656c 6c69 7073 6520 drun\">.<ellipse \n-00008c00: 6669 6c6c 3d22 2365 3563 6366 6622 2073 fill=\"#e5ccff\" s\n-00008c10: 7472 6f6b 653d 2262 6c61 636b 2220 6378 troke=\"black\" cx\n-00008c20: 3d22 3130 3532 2220 6379 3d22 2d34 3639 =\"1052\" cy=\"-469\n-00008c30: 2e35 3322 2072 783d 2233 312e 3233 2220 .53\" rx=\"31.23\" \n-00008c40: 7279 3d22 3133 2e33 3722 2f3e 0a3c 7465 ry=\"13.37\"/>.<te\n-00008c50: 7874 2074 6578 742d 616e 6368 6f72 3d22 xt text-anchor=\"\n-00008c60: 6d69 6464 6c65 2220 783d 2231 3035 3222 middle\" x=\"1052\"\n-00008c70: 2079 3d22 2d34 3637 2e30 3322 2066 6f6e y=\"-467.03\" fon\n-00008c80: 742d 6661 6d69 6c79 3d22 4672 6565 5361 t-family=\"FreeSa\n-00008c90: 6e73 2220 666f 6e74 2d73 697a 653d 2231 ns\" font-size=\"1\n-00008ca0: 302e 3030 223e 6d64 7275 6e3c 2f74 6578 0.00\">mdrun</tex\n-00008cb0: 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 t>.</a>.</g>.</g\n-00008cc0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00008cd0: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n-00008ce0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00008cf0: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n-00008d00: 6e20 2d2d 3e0a 3c67 2069 643d 2265 6467 n -->.<g id=\"edg\n-00008d10: 6534 3122 2063 6c61 7373 3d22 6564 6765 e41\" class=\"edge\n-00008d20: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-00008d30: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n-00008d40: 6465 6326 2334 353b 2667 743b 6d6f 6475 dec->modu\n-00008d50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00008d60: 6472 756e 3c2f 7469 746c 653e 0a3c 7061 drun......\n-00008ed0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00008ee0: 6373 5f64 6f6d 6465 6326 2334 353b 2667 cs_domdec-&g\n-00008ef0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00008f00: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974 macs_fileio</tit\n-00008f10: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00008f20: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n-00008f30: 6662 6662 6622 2064 3d22 4d31 3239 342e fbfbf\" d=\"M1294.\n-00008f40: 3132 2c2d 3534 342e 3643 3133 3036 2e36 12,-544.6C1306.6\n-00008f50: 342c 2d35 3533 2e37 3520 3133 3234 2e30 4,-553.75 1324.0\n-00008f60: 312c 2d35 3637 2e34 3920 3133 3337 2c2d 1,-567.49 1337,-\n-00008f70: 3538 312e 3833 2031 3430 332e 3232 2c2d 581.83 1403.22,-\n-00008f80: 3635 342e 3931 2031 3435 332e 372c 2d37 654.91 1453.7,-7\n-00008f90: 3232 2e30 3220 3133 3930 2c2d 3739 372e 22.02 1390,-797.\n-00008fa0: 3331 2031 3331 372e 3234 2c2d 3838 332e 31 1317.24,-883.\n-00008fb0: 3331 2039 3439 2e35 312c 2d39 3033 2e33 31 949.51,-903.3\n-00008fc0: 3120 3833 302e 3932 2c2d 3930 372e 3536 1 830.92,-907.56\n-00008fd0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-00008fe0: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n-00008ff0: 6b65 3d22 2362 6662 6662 6622 2070 6f69 ke=\"#bfbfbf\" poi\n-00009000: 6e74 733d 2238 3330 2e37 352c 2d39 3034 nts=\"830.75,-904\n-00009010: 2e30 3620 3832 302e 3838 2c2d 3930 372e .06 820.88,-907.\n-00009020: 3920 3833 302e 3939 2c2d 3931 312e 3036 9 830.99,-911.06\n-00009030: 2038 3330 2e37 352c 2d39 3034 2e30 3622 830.75,-904.06\"\n-00009040: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-00009050: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00009060: 646f 6d64 6563 2623 3435 3b26 6774 3b6d domdec->m\n-00009070: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00009080: 735f 676d 786c 6962 202d 2d3e 0a3c 6720 s_gmxlib -->.<g \n-00009090: 6964 3d22 6564 6765 3337 2220 636c 6173 id=\"edge37\" clas\n-000090a0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-000090b0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-000090c0: 6163 735f 646f 6d64 6563 2623 3435 3b26 acs_domdec-&\n-000090d0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000090e0: 6f6d 6163 735f 676d 786c 6962 3c2f 7469 omacs_gmxlib</ti\n-000090f0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00009100: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00009110: 6266 6266 6266 2220 643d 224d 3133 3134 bfbfbf\" d=\"M1314\n-00009120: 2e31 312c 2d35 3330 2e36 3143 3134 3333 .11,-530.61C1433\n-00009130: 2e35 312c 2d35 3237 2e31 3620 3138 3132 .51,-527.16 1812\n-00009140: 2e31 2c2d 3530 392e 3236 2031 3838 352c .1,-509.26 1885,\n-00009150: 2d34 3230 2e30 3920 3139 3638 2e32 312c -420.09 1968.21,\n-00009160: 2d33 3138 2e33 3120 3138 3132 2e34 332c -318.31 1812.43,\n-00009170: 2d31 3633 2e34 3620 3137 3533 2e39 322c -163.46 1753.92,\n-00009180: 2d31 3131 2e32 3322 2f3e 0a3c 706f 6c79 -111.23\"/>.<poly\n-00009190: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n-000091a0: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n-000091b0: 6266 2220 706f 696e 7473 3d22 3137 3536 bf\" points=\"1756\n-000091c0: 2e31 362c 2d31 3038 2e35 3420 3137 3436 .16,-108.54 1746\n-000091d0: 2e33 342c 2d31 3034 2e35 3520 3137 3531 .34,-104.55 1751\n-000091e0: 2e35 332c 2d31 3133 2e37 3920 3137 3536 .53,-113.79 1756\n-000091f0: 2e31 362c 2d31 3038 2e35 3422 2f3e 0a3c .16,-108.54\"/>.<\n-00009200: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-00009210: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n-00009220: 6563 2623 3435 3b26 6774 3b6d 6f64 756c ec->modul\n-00009230: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00009240: 7479 7065 7320 2d2d 3e0a 3c67 2069 643d types -->.<g id=\n-00009250: 2265 6467 6533 3522 2063 6c61 7373 3d22 \"edge35\" class=\"\n-00009260: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-00009270: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00009280: 5f64 6f6d 6465 6326 2334 353b 2667 743b _domdec->\n-00009290: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000092a0: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n-000092b0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-000092c0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-000092d0: 6266 6266 2220 643d 224d 3132 3834 2e30 bfbf\" d=\"M1284.0\n-000092e0: 392c 2d35 3435 2e36 3843 3132 3836 2e32 9,-545.68C1286.2\n-000092f0: 2c2d 3536 312e 3238 2031 3238 332e 3333 ,-561.28 1283.33\n-00009300: 2c2d 3538 382e 3631 2031 3237 322c 2d36 ,-588.61 1272,-6\n-00009310: 3038 2e37 2031 3236 342e 3731 2c2d 3632 08.7 1264.71,-62\n-00009320: 312e 3633 2031 3235 322e 3733 2c2d 3633 1.63 1252.73,-63\n-00009330: 332e 3031 2031 3234 312e 312c 2d36 3431 3.01 1241.1,-641\n-00009340: 2e34 3922 2f3e 0a3c 706f 6c79 676f 6e20 .49\"/>.<polygon \n-00009350: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n-00009360: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n-00009370: 706f 696e 7473 3d22 3132 3339 2e30 382c points=\"1239.08,\n-00009380: 2d36 3338 2e36 3320 3132 3332 2e37 362c -638.63 1232.76,\n-00009390: 2d36 3437 2e31 3320 3132 3433 2e30 312c -647.13 1243.01,\n-000093a0: 2d36 3434 2e34 3220 3132 3339 2e30 382c -644.42 1239.08,\n-000093b0: 2d36 3338 2e36 3322 2f3e 0a3c 2f67 3e0a -638.63\"/>.</g>.\n-000093c0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-000093d0: 6772 6f6d 6163 735f 6f6e 6c69 6e65 6865 gromacs_onlinehe\n-000093e0: 6c70 202d 2d3e 0a3c 6720 6964 3d22 6e6f lp -->.<g id=\"no\n-000093f0: 6465 3922 2063 6c61 7373 3d22 6e6f 6465 de9\" class=\"node\n-00009400: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-00009410: 5f73 7263 5f67 726f 6d61 6373 5f6f 6e6c _src_gromacs_onl\n-00009420: 696e 6568 656c 703c 2f74 6974 6c65 3e0a inehelp.\n-00009430: 3c67 2069 643d 2261 5f6e 6f64 6539 223e \n-00009440: 3c61 2078 6c69 6e6b 3a68 7265 663d 2267 ..onlinehelp<\n-00009550: 2f74 6578 743e 0a3c 2f61 3e0a 3c2f 673e /text>..\n-00009560: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ...\n-000095b0: 3c67 2069 643d 2265 6467 6534 3822 2063 .module_src_g\n-000095e0: 726f 6d61 6373 5f68 6172 6477 6172 6526 romacs_hardware&\n-000095f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00009600: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n-00009610: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061 tils....\n-00009700: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..m\n-00009750: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00009760: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n-00009770: 3c2f 7469 746c 653e 0a3c 656c 6c69 7073 ..applied_fo\n-00009830: 7263 6573 3c2f 7465 7874 3e0a 3c2f 673e rces.\n-00009840: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..<\n-00009890: 6720 6964 3d22 6564 6765 3532 2220 636c g id=\"edge52\" cl\n-000098a0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n-000098c0: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n-000098d0: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n-000098e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000098f0: 6f70 7469 6f6e 733c 2f74 6974 6c65 3e0a options.\n-00009900: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....modul\n-00009a60: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-00009a70: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n-00009a80: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00009a90: 6772 6f6d 6163 735f 6577 616c 643c 2f74 gromacs_ewald</t\n-00009aa0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00009ab0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00009ac0: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-00009ad0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-00009ae0: 643d 224d 3634 332e 3637 2c2d 3431 3843 d=\"M643.67,-418C\n-00009af0: 3638 372e 3533 2c2d 3433 322e 3734 2037 687.53,-432.74 7\n-00009b00: 3730 2e37 362c 2d34 3630 2e34 3820 3834 70.76,-460.48 84\n-00009b10: 322c 2d34 3832 2e39 3620 3936 342e 3935 2,-482.96 964.95\n-00009b20: 2c2d 3532 312e 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macs_domdec -->.\n-00009c10: 3c67 2069 643d 2265 6467 6535 3322 2063 <g id=\"edge53\" c\n-00009c20: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-00009c30: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00009c40: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-00009c50: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n-00009c60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00009c70: 5f64 6f6d 6465 633c 2f74 6974 6c65 3e0a _domdec.\n-00009c80: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n-00009d50: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_\n-00009e40: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n-00009e50: 6965 645f 666f 7263 6573 2623 3435 3b26 ied_forces-&\n-00009e60: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00009e70: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974 omacs_mdlib</tit\n-00009e80: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00009e90: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 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s->module\n-0000aaa0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n-0000aab0: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio...\n-0000ac10: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gro\n-0000ac90: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n-0000aca0: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n-0000acb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-0000acc0: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib......modul\n-0000ae90: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-0000aea0: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n-0000aeb0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0000aec0: 6772 6f6d 6163 735f 7261 6e64 6f6d 3c2f gromacs_random</\n-0000aed0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0000aee0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0000aef0: 2262 6c61 636b 2220 7374 726f 6b65 2d64 \"black\" stroke-d\n-0000af00: 6173 6861 7272 6179 3d22 352c 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1502.47,-156.9\n-0000aff0: 3620 3134 3932 2e33 392c 2d31 3533 2e37 6 1492.39,-153.7\n-0000b000: 3220 3134 3932 2e35 372c 2d31 3630 2e37 2 1492.57,-160.7\n-0000b010: 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 2\"/>.</g>.<!-- m\n-0000b020: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000b030: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n-0000b040: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0000b050: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n-0000b060: 7065 7320 2d2d 3e0a 3c67 2069 643d 2265 pes -->.<g id=\"e\n-0000b070: 6467 6535 3122 2063 6c61 7373 3d22 6564 dge51\" class=\"ed\n-0000b080: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-0000b090: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n-0000b0a0: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n-0000b0b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0000b0c0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-0000b0d0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_grom\n-0000b280: 6163 735f 6d64 6c69 6226 2334 353b 2667 acs_mdlib-&g\n-0000b290: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000b2a0: 6d61 6373 5f69 6d64 3c2f 7469 746c 653e macs_imd\n-0000b2b0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n-0000b3d0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...\n-0000b440: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000b450: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n-0000b460: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000b470: 6163 735f 6770 755f 7574 696c 733c 2f74 acs_gpu_utils</t\n-0000b480: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0000b490: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0000b4a0: 7265 6422 2064 3d22 4d38 3331 2e30 382c red\" d=\"M831.08,\n-0000b4b0: 2d32 3931 2e33 3243 3739 342e 342c 2d33 -291.32C794.4,-3\n-0000b4c0: 3131 2e39 3720 3731 362e 3035 2c2d 3336 11.97 716.05,-36\n-0000b4d0: 332e 3839 2037 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6373 5f6d le_src_gromacs_m\n-0000bcb0: 646c 6962 2623 3435 3b26 6774 3b6d 6f64 dlib->mod\n-0000bcc0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000bcd0: 636f 6d70 6174 202d 2d3e 0a3c 6720 6964 compat -->.<g id\n-0000bce0: 3d22 6564 6765 3730 2220 636c 6173 733d =\"edge70\" class=\n-0000bcf0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0000bd00: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000bd10: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n-0000bd20: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000bd30: 6373 5f63 6f6d 7061 743c 2f74 6974 6c65 cs_compat</title\n-0000bd40: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0000bd50: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n-0000bd60: 6663 6322 2064 3d22 4d38 3638 2e33 342c fcc\" d=\"M868.34,\n-0000bd70: 2d32 3731 2e30 3643 3839 302e 3139 2c2d -271.06C890.19,-\n-0000bd80: 3236 312e 3036 2039 3236 2e30 332c 2d32 261.06 926.03,-2\n-0000bd90: 3434 2e36 3620 3935 312e 3632 2c2d 3233 44.66 951.62,-23\n-0000bda0: 322e 3935 222f 3e0a 3c70 6f6c 7967 6f6e 2.95\"/>.<polygon\n-0000bdb0: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n-0000bdc0: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n-0000bdd0: 2070 6f69 6e74 733d 2239 3533 2e32 342c points=\"953.24,\n-0000bde0: 2d32 3336 2e30 3620 3936 302e 3838 2c2d -236.06 960.88,-\n-0000bdf0: 3232 382e 3731 2039 3530 2e33 332c 2d32 228.71 950.33,-2\n-0000be00: 3239 2e36 3920 3935 332e 3234 2c2d 3233 29.69 953.24,-23\n-0000be10: 362e 3036 222f 3e0a 3c2f 673e 0a3c 212d 6.06\"/>.</g>.<!-\n-0000be20: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-0000be30: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n-0000be40: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0000be50: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n-0000be60: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467 e -->.<g id=\"edg\n-0000be70: 6536 3822 2063 6c61 7373 3d22 6564 6765 e68\" class=\"edge\n-0000be80: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-0000be90: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-0000bea0: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-0000beb0: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n-0000bec0: 6d6d 616e 646c 696e 653c 2f74 6974 6c65 mmandline</title\n-0000bed0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0000bee0: 6e65 2220 7374 726f 6b65 3d22 626c 6163 ne\" stroke=\"blac\n-0000bef0: 6b22 2073 7472 6f6b 652d 6461 7368 6172 k\" stroke-dashar\n-0000bf00: 7261 793d 2235 2c32 2220 643d 224d 3832 ray=\"5,2\" d=\"M82\n-0000bf10: 312e 3532 2c2d 3238 342e 3538 4337 3933 1.52,-284.58C793\n-0000bf20: 2e30 342c 2d32 3838 2e39 3420 3734 392e .04,-288.94 749.\n-0000bf30: 372c 2d33 3030 2e33 3920 3732 382c 2d33 7,-300.39 728,-3\n-0000bf40: 3330 2e33 3520 3636 362e 3831 2c2d 3431 30.35 666.81,-41\n-0000bf50: 342e 3834 2036 3939 2e34 332c 2d37 3236 4.84 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6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-0000c050: 6163 735f 6d64 6c69 6226 2334 353b 2667 acs_mdlib-&g\n-0000c060: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000c070: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n-0000c080: 7920 2d2d 3e0a 3c67 2069 643d 2265 6467 y -->.<g id=\"edg\n-0000c090: 6536 3322 2063 6c61 7373 3d22 6564 6765 e63\" class=\"edge\n-0000c0a0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-0000c0b0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-0000c0c0: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-0000c0d0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0000c0e0: 7275 6e75 7469 6c69 7479 3c2f 7469 746c runutility</titl\n-0000c0f0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0000c100: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-0000c110: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-0000c120: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-0000c130: 4d38 3233 2e35 362c 2d32 3837 2e33 3143 M823.56,-287.31C\n-0000c140: 3830 302e 3032 2c2d 3239 332e 3633 2037 800.02,-293.63 7\n-0000c150: 3635 2e37 352c 2d33 3036 2e34 3320 3734 65.75,-306.43 74\n-0000c160: 362c 2d33 3330 2e33 3520 3732 372e 3634 6,-330.35 727.64\n-0000c170: 2c2d 3335 322e 3538 2037 3333 2e35 382c ,-352.58 733.58,\n-0000c180: 2d33 3634 2e36 3120 3733 302c 2d33 3933 -364.61 730,-393\n-0000c190: 2e32 3220 3732 382e 3532 2c2d 3430 352e .22 728.52,-405.\n-0000c1a0: 3037 2037 3238 2e30 392c 2d34 3038 2e33 07 728.09,-408.3\n-0000c1b0: 2037 3330 2c2d 3432 302e 3039 2037 3332 730,-420.09 732\n-0000c1c0: 2e37 2c2d 3433 362e 3734 2037 3336 2e39 .7,-436.74 736.9\n-0000c1d0: 322c 2d34 3430 2e30 3120 3734 322c 2d34 2,-440.01 742,-4\n-0000c1e0: 3536 2e30 3920 3738 392e 372c 2d36 3037 56.09 789.7,-607\n-0000c1f0: 2e30 3220 3732 342e 3731 2c2d 3639 332e .02 724.71,-693.\n-0000c200: 3238 2038 3434 2c2d 3739 372e 3331 2038 28 844,-797.31 8\n-0000c210: 3831 2e30 372c 2d38 3239 2e36 3420 3130 81.07,-829.64 10\n-0000c220: 3139 2e34 362c 2d38 3430 2e34 3420 3130 19.46,-840.44 10\n-0000c230: 3938 2e39 332c 2d38 3434 2e30 3122 2f3e 98.93,-844.01\"/>\n-0000c240: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-0000c250: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n-0000c260: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n-0000c270: 3d22 3130 3939 2e31 322c 2d38 3437 2e35 =\"1099.12,-847.5\n-0000c280: 3320 3131 3039 2e32 362c 2d38 3434 2e34 3 1109.26,-844.4\n-0000c290: 3520 3130 3939 2e34 322c 2d38 3430 2e35 5 1099.42,-840.5\n-0000c2a0: 3320 3130 3939 2e31 322c 2d38 3437 2e35 3 1099.12,-847.5\n-0000c2b0: 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 3\"/>.</g>.<!-- m\n-0000c2c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000c2d0: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n-0000c2e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000c2f0: 6373 5f6c 6973 7465 645f 666f 7263 6573 cs_listed_forces\n-0000c300: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-0000c310: 3733 2220 636c 6173 733d 2265 6467 6522 73\" class=\"edge\"\n-0000c320: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-0000c330: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-0000c340: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n-0000c350: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973 _src_gromacs_lis\n-0000c360: 7465 645f 666f 7263 6573 3c2f 7469 746c ted_forces</titl\n-0000c370: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0000c380: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-0000c390: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-0000c3a0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-0000c3b0: 4d38 3531 2e36 382c 2d32 3637 2e32 3743 M851.68,-267.27C\n-0000c3c0: 3836 302e 3332 2c2d 3235 312e 3736 2038 860.32,-251.76 8\n-0000c3d0: 3830 2e37 322c 2d32 3235 2e30 3220 3930 80.72,-225.02 90\n-0000c3e0: 312c 2d32 3034 2e36 3120 3931 322e 3233 1,-204.61 912.23\n-0000c3f0: 2c2d 3139 332e 3320 3932 352e 3933 2c2d ,-193.3 925.93,-\n-0000c400: 3138 312e 3933 2039 3338 2e32 332c 2d31 181.93 938.23,-1\n-0000c410: 3733 2e30 3522 2f3e 0a3c 706f 6c79 676f 73.05\"/>.<polygo\n-0000c420: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n-0000c430: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-0000c440: 2220 706f 696e 7473 3d22 3934 302e 3236 \" points=\"940.26\n-0000c450: 2c2d 3137 352e 3931 2039 3436 2e34 382c ,-175.91 946.48,\n-0000c460: 2d31 3637 2e33 3320 3933 362e 3237 2c2d -167.33 936.27,-\n-0000c470: 3137 302e 3136 2039 3430 2e32 362c 2d31 170.16 940.26,-1\n-0000c480: 3735 2e39 3122 2f3e 0a3c 2f67 3e0a 3c21 75.91\"/>.</g>.<!\n-0000c490: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-0000c4a0: 6f6d 6163 735f 6d64 6c69 6226 2334 353b omacs_mdlib-\n-0000c4b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0000c4c0: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n-0000c4d0: 7920 2d2d 3e0a 3c67 2069 643d 2265 6467 y -->.<g id=\"edg\n-0000c4e0: 6537 3522 2063 6c61 7373 3d22 6564 6765 e75\" class=\"edge\n-0000c4f0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-0000c500: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-0000c510: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-0000c520: 655f 7372 635f 6772 6f6d 6163 735f 7472 e_src_gromacs_tr\n-0000c530: 616a 6563 746f 7279 3c2f 7469 746c 653e ajectory\n-0000c540: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gro\n-0000c690: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n-0000c6a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0000c6b0: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio..<\n-0000c850: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-0000c860: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-0000c870: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-0000c880: 3736 322e 362c 2d39 3030 2e33 3420 3737 762.6,-900.34 77\n-0000c890: 332e 3137 2c2d 3930 312e 3035 2037 3635 3.17,-901.05 765\n-0000c8a0: 2e33 352c 2d38 3933 2e39 3120 3736 322e .35,-893.91 762.\n-0000c8b0: 362c 2d39 3030 2e33 3422 2f3e 0a3c 2f67 6,-900.34\"/>....module\n-0000c930: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-0000c940: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-0000c950: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-0000c960: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib....<\n-0000ca70: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0000ca80: 726f 6d61 6373 5f74 6162 6c65 7320 2d2d romacs_tables --\n-0000ca90: 3e0a 3c67 2069 643d 226e 6f64 6534 3022 >..<\n-0000cab0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0000cac0: 5f67 726f 6d61 6373 5f74 6162 6c65 733c _gromacs_tables<\n-0000cad0: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261 /title>...tables...\n-0000cc00: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_\n-0000cc70: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-0000cc80: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n-0000cc90: 5f73 7263 5f67 726f 6d61 6373 5f74 6162 _src_gromacs_tab\n-0000cca0: 6c65 733c 2f74 6974 6c65 3e0a 3c70 6174 les......m\n-0000cdf0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000ce00: 735f 6573 7365 6e74 6961 6c64 796e 616d s_essentialdynam\n-0000ce10: 6963 733c 2f74 6974 6c65 3e0a 3c65 6c6c ics..essen\n-0000ced0: 7469 616c 6479 6e61 6d69 6373 3c2f 7465 tialdynamics....modu\n-0000cf60: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0000cf70: 646c 6962 2623 3435 3b26 6774 3b6d 6f64 dlib->mod\n-0000cf80: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000cf90: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n-0000cfa0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s...\n-0000d0a0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_\n-0000d110: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-0000d120: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n-0000d130: 5f73 7263 5f67 726f 6d61 6373 5f72 616e _src_gromacs_ran\n-0000d140: 646f 6d3c 2f74 6974 6c65 3e0a 3c70 6174 dom......\n-0000d2d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000d2e0: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n-0000d2f0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000d300: 6163 735f 6d64 7479 7065 733c 2f74 6974 acs_mdtypes</tit\n-0000d310: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0000d320: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n-0000d330: 6422 2064 3d22 4d38 3535 2e30 332c 2d32 d\" d=\"M855.03,-2\n-0000d340: 3934 2e32 3443 3835 352e 3734 2c2d 3330 94.24C855.74,-30\n-0000d350: 342e 3032 2038 3534 2e35 312c 2d33 3138 4.02 854.51,-318\n-0000d360: 2e30 3420 3835 342c 2d33 3330 2e33 3520 .04 854,-330.35 \n-0000d370: 3835 332e 3531 2c2d 3334 322e 3238 2038 853.51,-342.28 8\n-0000d380: 3531 2e32 312c 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fill\n-0000d550: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0000d560: 626c 6163 6b22 2063 783d 2232 3137 2220 black\" cx=\"217\" \n-0000d570: 6379 3d22 2d32 3138 2e30 3522 2072 783d cy=\"-218.05\" rx=\n-0000d580: 2232 3722 2072 793d 2231 332e 3337 222f \"27\" ry=\"13.37\"/\n-0000d590: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63 >.<text text-anc\n-0000d5a0: 686f 723d 226d 6964 646c 6522 2078 3d22 hor=\"middle\" x=\"\n-0000d5b0: 3231 3722 2079 3d22 2d32 3135 2e35 3522 217\" y=\"-215.55\"\n-0000d5c0: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672 font-family=\"Fr\n-0000d5d0: 6565 5361 6e73 2220 666f 6e74 2d73 697a eeSans\" font-siz\n-0000d5e0: 653d 2231 302e 3030 223e 6177 683c 2f74 e=\"10.00\">awh</t\n-0000d5f0: 6578 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c ext>.</a>.</g>.<\n-0000d600: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-0000d610: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-0000d620: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n-0000d630: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n-0000d640: 6c69 6564 5f66 6f72 6365 735f 6177 6820 lied_forces_awh \n-0000d650: 2d2d 3e0a 3c67 2069 643d 2265 6467 6537 -->.<g id=\"edge7\n-0000d660: 3622 2063 6c61 7373 3d22 6564 6765 223e 6\" class=\"edge\">\n-0000d670: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-0000d680: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n-0000d690: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0000d6a0: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n-0000d6b0: 6965 645f 666f 7263 6573 5f61 7768 3c2f ied_forces_awh</\n-0000d6c0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0000d6d0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0000d6e0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-0000d6f0: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-0000d700: 2064 3d22 4d38 3231 2e34 342c 2d32 3737 d=\"M821.44,-277\n-0000d710: 2e32 3643 3732 302e 3037 2c2d 3236 372e .26C720.07,-267.\n-0000d720: 3520 3336 372e 3838 2c2d 3233 332e 3538 5 367.88,-233.58\n-0000d730: 2032 3533 2e33 322c 2d32 3232 2e35 3422 253.32,-222.54\"\n-0000d740: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-0000d750: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-0000d760: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n-0000d770: 7473 3d22 3235 332e 3538 2c2d 3231 392e ts=\"253.58,-219.\n-0000d780: 3035 2032 3433 2e33 2c2d 3232 312e 3538 05 243.3,-221.58\n-0000d790: 2032 3532 2e39 312c 2d32 3236 2e30 3220 252.91,-226.02 \n-0000d7a0: 3235 332e 3538 2c2d 3231 392e 3035 222f 253.58,-219.05\"/\n-0000d7b0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n-0000d7c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e le_src_gromacs_n\n-0000d7d0: 626e 786d 2623 3435 3b26 6774 3b6d 6f64 bnxm->mod\n-0000d7e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000d7f0: 6770 755f 7574 696c 7320 2d2d 3e0a 3c67 gpu_utils -->.<g\n-0000d800: 2069 643d 2265 6467 6537 3922 2063 6c61 id=\"edge79\" cla\n-0000d810: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-0000d820: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-0000d830: 6d61 6373 5f6e 626e 786d 2623 3435 3b26 macs_nbnxm-&\n-0000d840: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0000d850: 6f6d 6163 735f 6770 755f 7574 696c 733c omacs_gpu_utils<\n-0000d860: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-0000d870: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0000d880: 3d22 7265 6422 2064 3d22 4d31 3538 382e =\"red\" d=\"M1588.\n-0000d890: 3634 2c2d 3231 382e 3436 4331 3634 332e 64,-218.46C1643.\n-0000d8a0: 3033 2c2d 3231 382e 3820 3137 3534 2e33 03,-218.8 1754.3\n-0000d8b0: 2c2d 3232 352e 3137 2031 3833 362c 2d32 ,-225.17 1836,-2\n-0000d8c0: 3637 2e34 3820 3139 3031 2e36 322c 2d33 67.48 1901.62,-3\n-0000d8d0: 3031 2e34 3620 3139 3234 2e39 352c 2d33 01.46 1924.95,-3\n-0000d8e0: 3439 2e38 3520 3139 3032 2c2d 3432 302e 49.85 1902,-420.\n-0000d8f0: 3039 2031 3836 352e 3134 2c2d 3533 322e 09 1865.14,-532.\n-0000d900: 3839 2031 3832 312e 3334 2c2d 3536 302e 89 1821.34,-560.\n-0000d910: 3238 2031 3731 332c 2d36 3038 2e37 2031 28 1713,-608.7 1\n-0000d920: 3638 332e 372c 2d36 3231 2e38 2031 3232 683.7,-621.8 122\n-0000d930: 352e 3638 2c2d 3639 312e 3135 2031 3037 5.68,-691.15 107\n-0000d940: 382e 332c 2d37 3133 2e32 3422 2f3e 0a3c 8.3,-713.24\"/>.<\n-0000d950: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n-0000d960: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n-0000d970: 706f 696e 7473 3d22 3130 3737 2e36 312c points=\"1077.61,\n-0000d980: 2d37 3039 2e38 3120 3130 3638 2e32 342c -709.81 1068.24,\n-0000d990: 2d37 3134 2e37 3520 3130 3738 2e36 352c -714.75 1078.65,\n-0000d9a0: 2d37 3136 2e37 3320 3130 3737 2e36 312c -716.73 1077.61,\n-0000d9b0: 2d37 3039 2e38 3122 2f3e 0a3c 2f67 3e0a -709.81\"/>.</g>.\n-0000d9c0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-0000d9d0: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334 gromacs_nbnxm\n-0000d9e0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0000d9f0: 5f67 726f 6d61 6373 5f65 7761 6c64 202d _gromacs_ewald -\n-0000da00: 2d3e 0a3c 6720 6964 3d22 6564 6765 3836 ->.<g id=\"edge86\n-0000da10: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-0000da20: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-0000da30: 635f 6772 6f6d 6163 735f 6e62 6e78 6d26 c_gromacs_nbnxm&\n-0000da40: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0000da50: 7263 5f67 726f 6d61 6373 5f65 7761 6c64 rc_gromacs_ewald\n-0000da60: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n-0000db40: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....\n-0000dc20: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000dc30: 6373 5f6e 626e 786d 2623 3435 3b26 6774 cs_nbnxm->\n-0000dc40: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000dc50: 6163 735f 646f 6d64 6563 3c2f 7469 746c acs_domdec</titl\n-0000dc60: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0000dc70: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-0000dc80: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-0000dc90: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-0000dca0: 4d31 3536 312e 3939 2c2d 3233 312e 3639 M1561.99,-231.69\n-0000dcb0: 4331 3537 312e 3035 2c2d 3236 362e 3336 C1571.05,-266.36\n-0000dcc0: 2031 3537 372e 3836 2c2d 3336 342e 3035 1577.86,-364.05\n-0000dcd0: 2031 3533 302c 2d34 3230 2e30 3920 3134 1530,-420.09 14\n-0000dce0: 3937 2e39 362c 2d34 3537 2e36 2031 3437 97.96,-457.6 147\n-0000dcf0: 302e 3135 2c2d 3433 362e 3220 3134 3235 0.15,-436.2 1425\n-0000dd00: 2c2d 3435 362e 3039 2031 3338 332e 3735 ,-456.09 1383.75\n-0000dd10: 2c2d 3437 342e 3236 2031 3333 382e 332c ,-474.26 1338.3,\n-0000dd20: 2d35 3030 2e33 3220 3133 3038 2e38 312c -500.32 1308.81,\n-0000dd30: 2d35 3136 2e35 3322 2f3e 0a3c 706f 6c79 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6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000de30: 5f6e 626e 786d 2623 3435 3b26 6774 3b6d _nbnxm->m\n-0000de40: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000de50: 735f 6861 7264 7761 7265 3c2f 7469 746c s_hardware</titl\n-0000de60: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0000de70: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n-0000de80: 2220 643d 224d 3135 3837 2e36 352c 2d32 \" d=\"M1587.65,-2\n-0000de90: 3231 2e32 3243 3136 3535 2e38 2c2d 3232 21.22C1655.8,-22\n-0000dea0: 362e 3337 2031 3831 332e 3935 2c2d 3234 6.37 1813.95,-24\n-0000deb0: 302e 3839 2031 3836 302c 2d32 3637 2e34 0.89 1860,-267.4\n-0000dec0: 3820 3139 3231 2e38 312c 2d33 3033 2e31 8 1921.81,-303.1\n-0000ded0: 3720 3139 3233 2e30 312c 2d33 3439 2e39 7 1923.01,-349.9\n-0000dee0: 3120 3139 3130 2c2d 3432 302e 3039 2031 1 1910,-420.09 1\n-0000def0: 3836 342e 3437 2c2d 3636 352e 3720 3135 864.47,-665.7 15\n-0000df00: 3032 2e34 372c 2d37 3532 2e35 3120 3133 02.47,-752.51 13\n-0000df10: 3734 2e30 312c 2d37 3735 2e37 3522 2f3e 74.01,-775.75\"/>\n-0000df20: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-0000df30: 7265 6422 2073 7472 6f6b 653d 2272 6564 red\" stroke=\"red\n-0000df40: 2220 706f 696e 7473 3d22 3133 3733 2e33 \" points=\"1373.3\n-0000df50: 342c 2d37 3732 2e33 3120 3133 3634 2e31 4,-772.31 1364.1\n-0000df60: 2c2d 3737 372e 3520 3133 3734 2e35 362c ,-777.5 1374.56,\n-0000df70: 2d37 3739 2e32 3120 3133 3733 2e33 342c -779.21 1373.34,\n-0000df80: 2d37 3732 2e33 3122 2f3e 0a3c 2f67 3e0a -772.31\"/>.</g>.\n-0000df90: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-0000dfa0: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334 gromacs_nbnxm\n-0000dfb0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0000dfc0: 5f67 726f 6d61 6373 5f6d 646c 6962 202d _gromacs_mdlib -\n-0000dfd0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3832 ->.<g id=\"edge82\n-0000dfe0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-0000dff0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-0000e000: 635f 6772 6f6d 6163 735f 6e62 6e78 6d26 c_gromacs_nbnxm&\n-0000e010: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0000e020: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n-0000e030: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_grom\n-0000e190: 6163 735f 6e62 6e78 6d26 2334 353b 2667 acs_nbnxm-&g\n-0000e1a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000e1b0: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n-0000e1c0: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es......module\n-0000e360: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e _src_gromacs_nbn\n-0000e370: 786d 2623 3435 3b26 6774 3b6d 6f64 756c xm->modul\n-0000e380: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-0000e390: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib.\n-0000e430: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n-0000e4a0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 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6564 lp -->.<g id=\"ed\n-0000eb10: 6765 3837 2220 636c 6173 733d 2265 6467 ge87\" class=\"edg\n-0000eb20: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-0000eb30: 655f 7372 635f 6772 6f6d 6163 735f 7365 e_src_gromacs_se\n-0000eb40: 6c65 6374 696f 6e26 2334 353b 2667 743b lection->\n-0000eb50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000eb60: 6373 5f6f 6e6c 696e 6568 656c 703c 2f74 cs_onlinehelp</t\n-0000eb70: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0000eb80: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0000eb90: 2332 3832 6663 6322 2064 3d22 4d36 3238 #282fcc\" d=\"M628\n-0000eba0: 2e32 312c 2d39 3538 2e38 3743 3632 382e .21,-958.87C628.\n-0000ebb0: 3333 2c2d 3935 312e 3533 2036 3238 2e34 33,-951.53 628.4\n-0000ebc0: 382c 2d39 3432 2e30 3420 3632 382e 3633 8,-942.04 628.63\n-0000ebd0: 2c2d 3933 332e 3433 222f 3e0a 3c70 6f6c ,-933.43\"/>.<pol\n-0000ebe0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon 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0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00000f70: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61 rc_gromacs_comma\n+00000f80: 6e64 6c69 6e65 3c2f 7469 746c 653e 0a3c ndline.<\n+00000f90: 6720 6964 3d22 615f 6e6f 6465 3435 223e g id=\"a_node45\">\n+00000fa0: 3c61 2078 6c69 6e6b 3a68 7265 663d 2267 ..com\n+000010b0: 6d61 6e64 6c69 6e65 3c2f 7465 7874 3e0a mandline.\n+000010c0: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c ...<\n+000010d0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f74 !-- module_src_t\n+000010e0: 6573 7475 7469 6c73 2623 3435 3b26 6774 estutils->\n+000010f0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00001100: 6163 735f 636f 6d6d 616e 646c 696e 6520 acs_commandline \n+00001110: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->..module_\n+00001140: 7372 635f 7465 7374 7574 696c 7326 2334 src_testutils\n+00001150: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00001160: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64 _gromacs_command\n+00001170: 6c69 6e65 3c2f 7469 746c 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.\n+00006b20: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mo\n+00006b90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00006ba0: 5f64 6f6d 6465 6326 2334 353b 2667 743b _domdec->\n+00006bb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00006bc0: 6373 5f6d 646c 6962 3c2f 7469 746c 653e cs_mdlib\n+00006bd0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....\n+00006d20: 3c67 2069 643d 2265 6467 6532 3622 2063 .module_src_g\n+00006d50: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n+00006d60: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00006d70: 5f67 726f 6d61 6373 5f65 7761 6c64 3c2f _gromacs_ewald..\n+00006f00: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n+00006f70: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00006f80: 6373 5f64 6f6d 6465 6326 2334 353b 2667 cs_domdec-&g\n+00006f90: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00006fa0: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes</ti\n+00006fb0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00006fc0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00006fd0: 6266 6266 6266 2220 643d 224d 3130 3339 bfbfbf\" d=\"M1039\n+00006fe0: 2e39 332c 2d37 3735 2e34 4331 3036 372e .93,-775.4C1067.\n+00006ff0: 3837 2c2d 3736 382e 3038 2031 3131 302e 87,-768.08 1110.\n+00007000: 3631 2c2d 3735 342e 3938 2031 3134 332e 61,-754.98 1143.\n+00007010: 3536 2c2d 3733 342e 3434 2031 3139 312e 56,-734.44 1191.\n+00007020: 352c 2d37 3034 2e35 3620 3131 3838 2e39 5,-704.56 1188.9\n+00007030: 312c 2d36 3739 2e33 2031 3233 332e 3536 1,-679.3 1233.56\n+00007040: 2c2d 3634 342e 3720 3132 3836 2e34 342c ,-644.7 1286.44,\n+00007050: 2d36 3033 2e37 3320 3133 3535 2e36 382c -603.73 1355.68,\n+00007060: 2d35 3636 2e33 3820 3133 3936 2e35 392c -566.38 1396.59,\n+00007070: 2d35 3437 2e31 3122 2f3e 0a3c 706f 6c79 -547.11\"/>.<poly\n+00007080: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n+00007090: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n+000070a0: 6266 2220 706f 696e 7473 3d22 3133 3938 bf\" points=\"1398\n+000070b0: 2e32 352c 2d35 3530 2e32 2031 3430 352e .25,-550.2 1405.\n+000070c0: 3836 2c2d 3534 322e 3833 2031 3339 352e 86,-542.83 1395.\n+000070d0: 3332 2c2d 3534 332e 3835 2031 3339 382e 32,-543.85 1398.\n+000070e0: 3235 2c2d 3535 302e 3222 2f3e 0a3c 2f67 25,-550.2\"/>.</g\n+000070f0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00007100: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n+00007110: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00007120: 7372 635f 6772 6f6d 6163 735f 636f 6d70 src_gromacs_comp\n+00007130: 6174 202d 2d3e 0a3c 6720 6964 3d22 6564 at -->.<g id=\"ed\n+00007140: 6765 3338 2220 636c 6173 733d 2265 6467 ge38\" class=\"edg\n+00007150: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00007160: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n+00007170: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64 mdec->mod\n+00007180: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00007190: 636f 6d70 6174 3c2f 7469 746c 653e 0a3c compat.<\n+000071a0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000071b0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+000071c0: 2220 643d 224d 3130 3234 2e32 2c2d 3737 \" d=\"M1024.2,-77\n+000071d0: 312e 3132 4331 3033 342e 3036 2c2d 3736 1.12C1034.06,-76\n+000071e0: 312e 3635 2031 3034 372e 3834 2c2d 3734 1.65 1047.84,-74\n+000071f0: 372e 3738 2031 3035 382e 3536 2c2d 3733 7.78 1058.56,-73\n+00007200: 342e 3434 2031 3134 322e 3435 2c2d 3633 4.44 1142.45,-63\n+00007210: 302e 3034 2031 3135 362e 3738 2c2d 3539 0.04 1156.78,-59\n+00007220: 382e 3437 2031 3232 342e 3536 2c2d 3438 8.47 1224.56,-48\n+00007230: 322e 3936 2031 3233 342e 3935 2c2d 3436 2.96 1234.95,-46\n+00007240: 352e 3235 2031 3234 352e 3539 2c2d 3434 5.25 1245.59,-44\n+00007250: 342e 3439 2031 3235 332e 3133 2c2d 3432 4.49 1253.13,-42\n+00007260: 392e 3236 222f 3e0a 3c70 6f6c 7967 6f6e 9.26\"/>...\n+000072e0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..\n+00007350: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00007360: 6373 5f64 6f6d 6465 6326 2334 353b 2667 cs_domdec-&g\n+00007370: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00007380: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n+00007390: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es...\n+00007510: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modu\n+00007580: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+00007590: 6f6d 6465 6326 2334 353b 2667 743b 6d6f omdec->mo\n+000075a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000075b0: 5f68 6172 6477 6172 653c 2f74 6974 6c65 _hardware</title\n+000075c0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+000075d0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+000075e0: 6662 6622 2064 3d22 4d39 3735 2e35 332c fbf\" d=\"M975.53,\n+000075f0: 2d37 3832 2e32 3143 3838 382e 382c 2d37 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6326 _gromacs_domdec&\n+000077d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000077e0: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n+000077f0: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061 tils..<\n+00007940: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00007950: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00007960: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+00007970: 3537 322e 3333 2c2d 3130 372e 3139 2035 572.33,-107.19 5\n+00007980: 3831 2e32 332c 2d31 3031 2e34 3320 3537 81.23,-101.43 57\n+00007990: 302e 3638 2c2d 3130 302e 3338 2035 3732 0.68,-100.38 572\n+000079a0: 2e33 332c 2d31 3037 2e31 3922 2f3e 0a3c .33,-107.19\"/>.<\n+000079b0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mod\n+00007a20: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00007a30: 646f 6d64 6563 2623 3435 3b26 6774 3b6d domdec->m\n+00007a40: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00007a50: 735f 676d 786c 6962 3c2f 7469 746c 653e s_gmxlib\n+00007a60: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gro\n+00007c10: 6d61 6373 5f64 6f6d 6465 6326 2334 353b macs_domdec-\n+00007c20: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00007c30: 726f 6d61 6373 5f69 6d64 3c2f 7469 746c romacs_imd.\n+00007cf0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n+00007d60: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_\n+00007dd0: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+00007de0: 6563 2623 3435 3b26 6774 3b6d 6f64 756c ec->modul\n+00007df0: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n+00007e00: 6e78 6d3c 2f74 6974 6c65 3e0a 3c70 6174 nxm....<\n+00007fb0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00007fc0: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n+00007fd0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00007fe0: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n+00007ff0: 696c 6974 7920 2d2d 3e0a 3c67 2069 643d ility -->..mo\n+00008020: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00008030: 5f64 6f6d 6465 6326 2334 353b 2667 743b _domdec->\n+00008040: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00008050: 6373 5f6d 6472 756e 7574 696c 6974 793c cs_mdrunutility<\n+00008060: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00008070: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00008080: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00008090: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+000080a0: 2220 643d 224d 3130 3237 2e32 352c 2d37 \" d=\"M1027.25,-7\n+000080b0: 3731 2e36 3743 3130 3339 2e39 372c 2d37 71.67C1039.97,-7\n+000080c0: 3632 2e33 2031 3035 382e 312c 2d37 3438 62.3 1058.1,-748\n+000080d0: 2e32 3720 3130 3732 2e35 362c 2d37 3334 .27 1072.56,-734\n+000080e0: 2e34 3420 3132 3030 2e35 382c 2d36 3132 .44 1200.58,-612\n+000080f0: 2e30 3220 3132 3438 2e37 372c 2d35 3833 .02 1248.77,-583\n+00008100: 2e33 3220 3133 3137 2e35 362c 2d34 3230 .32 1317.56,-420\n+00008110: 2e30 3920 3133 3434 2e35 392c 2d33 3535 .09 1344.59,-355\n+00008120: 2e39 3720 3133 3137 2e32 332c 2d33 3237 .97 1317.23,-327\n+00008130: 2e34 3320 3133 3532 2e35 362c 2d32 3637 .43 1352.56,-267\n+00008140: 2e34 3820 3133 3539 2e36 322c 2d32 3535 .48 1359.62,-255\n+00008150: 2e34 3920 3133 3730 2e36 352c 2d32 3434 .49 1370.65,-244\n+00008160: 2e38 3320 3133 3830 2e39 2c2d 3233 362e .83 1380.9,-236.\n+00008170: 3539 222f 3e0a 3c70 6f6c 7967 6f6e 2066 59\"/>.<polygon f\n+00008180: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n+00008190: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n+000081a0: 6f69 6e74 733d 2231 3338 332e 3033 2c2d oints=\"1383.03,-\n+000081b0: 3233 392e 3336 2031 3338 382e 3836 2c2d 239.36 1388.86,-\n+000081c0: 3233 302e 3531 2031 3337 382e 3739 2c2d 230.51 1378.79,-\n+000081d0: 3233 332e 3739 2031 3338 332e 3033 2c2d 233.79 1383.03,-\n+000081e0: 3233 392e 3336 222f 3e0a 3c2f 673e 0a3c 239.36\"/>.</g>.<\n+000081f0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00008200: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n+00008210: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00008220: 5f67 726f 6d61 6373 5f66 696c 6569 6f20 _gromacs_fileio \n+00008230: 2d2d 3e0a 3c67 2069 643d 2265 6467 6533 -->.<g id=\"edge3\n+00008240: 3722 2063 6c61 7373 3d22 6564 6765 223e 7\" class=\"edge\">\n+00008250: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00008260: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+00008270: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n+00008280: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n+00008290: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio......<\n+000083e0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000083f0: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n+00008400: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00008410: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n+00008420: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .\n+000084c0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_grom\n+000085b0: 6163 735f 6d64 6c69 6226 2334 353b 2667 acs_mdlib-&g\n+000085c0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000085d0: 6d61 6373 5f65 7761 6c64 3c2f 7469 746c macs_ewald......modul\n+00008750: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00008760: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n+00008770: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00008780: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes.<\n+00008790: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000087a0: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n+000087b0: 224d 3131 3031 2e33 392c 2d34 3736 2e30 \"M1101.39,-476.0\n+000087c0: 3143 3131 3039 2e38 352c 2d34 3738 2e33 1C1109.85,-478.3\n+000087d0: 3920 3131 3139 2e31 2c2d 3438 312e 3036 9 1119.1,-481.06\n+000087e0: 2031 3132 372e 3536 2c2d 3438 322e 3936 1127.56,-482.96\n+000087f0: 2031 3231 382e 3338 2c2d 3530 332e 3336 1218.38,-503.36\n+00008800: 2031 3332 352e 3939 2c2d 3531 382e 3031 1325.99,-518.01\n+00008810: 2031 3338 352e 3533 2c2d 3532 352e 3536 1385.53,-525.56\n+00008820: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>..\n+00008890: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..\n+00008900: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00008910: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+00008920: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00008930: 7372 635f 6772 6f6d 6163 735f 6573 7365 src_gromacs_esse\n+00008940: 6e74 6961 6c64 796e 616d 6963 733c 2f74 ntialdynamics</t\n+00008950: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00008960: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00008970: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00008980: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00008990: 643d 224d 3130 3938 2e38 352c 2d34 3631 d=\"M1098.85,-461\n+000089a0: 2e32 3143 3131 3036 2e39 332c 2d34 3539 .21C1106.93,-459\n+000089b0: 2e33 3720 3131 3136 2e30 372c 2d34 3537 .37 1116.07,-457\n+000089c0: 2e35 3220 3131 3234 2e35 362c 2d34 3536 .52 1124.56,-456\n+000089d0: 2e30 3920 3132 3433 2e33 382c 2d34 3336 .09 1243.38,-436\n+000089e0: 2e30 3720 3133 3833 2e31 372c 2d34 3231 .07 1383.17,-421\n+000089f0: 2e32 3720 3134 3636 2e32 2c2d 3431 332e .27 1466.2,-413.\n+00008a00: 3539 222f 3e0a 3c70 6f6c 7967 6f6e 2066 59\"/>.<polygon f\n+00008a10: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n+00008a20: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n+00008a30: 6f69 6e74 733d 2231 3436 362e 3635 2c2d oints=\"1466.65,-\n+00008a40: 3431 372e 3036 2031 3437 362e 3239 2c2d 417.06 1476.29,-\n+00008a50: 3431 322e 3637 2031 3436 362e 3031 2c2d 412.67 1466.01,-\n+00008a60: 3431 302e 3039 2031 3436 362e 3635 2c2d 410.09 1466.65,-\n+00008a70: 3431 372e 3036 222f 3e0a 3c2f 673e 0a3c 417.06\"/>.</g>.<\n+00008a80: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00008a90: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+00008aa0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00008ab0: 6772 6f6d 6163 735f 7261 6e64 6f6d 202d gromacs_random -\n+00008ac0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3435 ->.<g id=\"edge45\n+00008ad0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+00008ae0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00008af0: 635f 6772 6f6d 6163 735f 6d64 6c69 6226 c_gromacs_mdlib&\n+00008b00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00008b10: 7263 5f67 726f 6d61 6373 5f72 616e 646f rc_gromacs_rando\n+00008b20: 6d3c 2f74 6974 6c65 3e0a 3c70 6174 6820 m......module_src_gro\n+00008d20: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n+00008d30: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00008d40: 6f6d 6163 735f 636f 6d70 6174 3c2f 7469 omacs_compat..\n+00008e30: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_grom\n+00008e90: 6163 735f 7472 616a 6563 746f 7279 3c2f acs_trajectory..\n+00008f00: 3c74 6578 7420 7465 7874 2d61 6e63 686f traj\n+00008f60: 6563 746f 7279 3c2f 7465 7874 3e0a 3c2f ectory....m\n+00008fe0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00008ff0: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n+00009000: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00009010: 6373 5f74 7261 6a65 6374 6f72 793c 2f74 cs_trajectory</t\n+00009020: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00009030: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00009040: 2362 6662 6662 6622 2064 3d22 4d31 3039 #bfbfbf\" d=\"M109\n+00009050: 322e 3835 2c2d 3435 382e 3335 4331 3132 2.85,-458.35C112\n+00009060: 342e 3536 2c2d 3433 382e 3634 2031 3139 4.56,-438.64 119\n+00009070: 322e 3533 2c2d 3339 362e 3835 2031 3230 2.53,-396.85 120\n+00009080: 342e 3536 2c2d 3339 332e 3232 2031 3238 4.56,-393.22 128\n+00009090: 362e 342c 2d33 3638 2e35 3720 3138 3830 6.4,-368.57 1880\n+000090a0: 2e37 352c 2d33 3530 2e39 2032 3035 392e .75,-350.9 2059.\n+000090b0: 3731 2c2d 3334 362e 3122 2f3e 0a3c 706f 71,-346.1\"/>.<po\n+000090c0: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662 lygon fill=\"#bfb\n+000090d0: 6662 6622 2073 7472 6f6b 653d 2223 6266 fbf\" stroke=\"#bf\n+000090e0: 6266 6266 2220 706f 696e 7473 3d22 3230 bfbf\" points=\"20\n+000090f0: 3630 2c2d 3334 392e 3539 2032 3036 392e 60,-349.59 2069.\n+00009100: 392c 2d33 3435 2e38 3220 3230 3539 2e38 9,-345.82 2059.8\n+00009110: 312c 2d33 3432 2e35 3920 3230 3630 2c2d 1,-342.59 2060,-\n+00009120: 3334 392e 3539 222f 3e0a 3c2f 673e 0a3c 349.59\"/>.</g>.<\n+00009130: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00009140: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+00009150: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00009160: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n+00009170: 6f72 6365 7320 2d2d 3e0a 3c67 2069 643d orces -->.<g id=\n+00009180: 2265 6467 6534 3922 2063 6c61 7373 3d22 \"edge49\" class=\"\n+00009190: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+000091a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000091b0: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d _mdlib->m\n+000091c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000091d0: 735f 6c69 7374 6564 5f66 6f72 6365 733c s_listed_forces<\n+000091e0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+000091f0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00009200: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00009210: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+00009220: 2220 643d 224d 3130 3536 2e35 352c 2d34 \" d=\"M1056.55,-4\n+00009230: 3539 2e38 3943 3130 3231 2e39 392c 2d34 59.89C1021.99,-4\n+00009240: 3432 2e30 3920 3935 302e 3832 2c2d 3339 42.09 950.82,-39\n+00009250: 392e 3433 2038 3935 2e35 362c 2d33 3537 9.43 895.56,-357\n+00009260: 2e32 3220 3838 312e 3334 2c2d 3334 362e .22 881.34,-346.\n+00009270: 3335 2038 3738 2e39 342c 2d33 3432 2e32 35 878.94,-342.2\n+00009280: 3420 3836 352e 3536 2c2d 3333 302e 3335 4 865.56,-330.35\n+00009290: 2038 3534 2e39 362c 2d33 3230 2e39 3420 854.96,-320.94 \n+000092a0: 3834 332e 3138 2c2d 3331 302e 3535 2038 843.18,-310.55 8\n+000092b0: 3333 2e39 382c 2d33 3031 2e38 3122 2f3e 33.98,-301.81\"/>\n+000092c0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+000092d0: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n+000092e0: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n+000092f0: 3d22 3833 362e 3235 2c2d 3239 392e 3134 =\"836.25,-299.14\n+00009300: 2038 3236 2e36 372c 2d32 3934 2e36 3320 826.67,-294.63 \n+00009310: 3833 312e 3335 2c2d 3330 342e 3133 2038 831.35,-304.13 8\n+00009320: 3336 2e32 352c 2d32 3939 2e31 3422 2f3e 36.25,-299.14\"/>\n+00009330: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00009340: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00009350: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n+00009360: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68 le_src_gromacs_h\n+00009370: 6172 6477 6172 6520 2d2d 3e0a 3c67 2069 ardware -->.<g i\n+00009380: 643d 2265 6467 6534 3822 2063 6c61 7373 d=\"edge48\" class\n+00009390: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+000093a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000093b0: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n+000093c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000093d0: 6163 735f 6861 7264 7761 7265 3c2f 7469 acs_hardware</ti\n+000093e0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+000093f0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00009400: 6266 6266 6266 2220 643d 224d 3130 3534 bfbfbf\" d=\"M1054\n+00009410: 2e37 2c2d 3436 302e 3936 4331 3032 392e .7,-460.96C1029.\n+00009420: 3634 2c2d 3435 322e 3037 2039 3837 2e35 64,-452.07 987.5\n+00009430: 332c 2d34 3336 2e34 3320 3935 322e 3536 3,-436.43 952.56\n+00009440: 2c2d 3432 302e 3039 2038 3437 2e33 372c ,-420.09 847.37,\n+00009450: 2d33 3730 2e39 3220 3832 312e 3836 2c2d -370.92 821.86,-\n+00009460: 3335 362e 3135 2037 3233 2e35 362c 2d32 356.15 723.56,-2\n+00009470: 3934 2e33 3520 3638 322e 3837 2c2d 3236 94.35 682.87,-26\n+00009480: 382e 3737 2036 3634 2e30 392c 2d32 3730 8.77 664.09,-270\n+00009490: 2e31 3620 3633 352e 3536 2c2d 3233 312e .16 635.56,-231.\n+000094a0: 3438 2036 3234 2e30 372c 2d32 3135 2e39 48 624.07,-215.9\n+000094b0: 2036 3137 2e36 362c 2d31 3934 2e37 3220 617.66,-194.72 \n+000094c0: 3631 342e 3231 2c2d 3137 382e 3822 2f3e 614.21,-178.8\"/>\n+000094d0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+000094e0: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n+000094f0: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n+00009500: 3d22 3631 372e 3631 2c2d 3137 372e 3920 =\"617.61,-177.9 \n+00009510: 3631 322e 3238 2c2d 3136 382e 3734 2036 612.28,-168.74 6\n+00009520: 3130 2e37 332c 2d31 3739 2e32 3220 3631 10.73,-179.22 61\n+00009530: 372e 3631 2c2d 3137 372e 3922 2f3e 0a3c 7.61,-177.9\"/>.<\n+00009540: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+00009550: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+00009560: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n+00009570: 5f73 7263 5f67 726f 6d61 6373 5f67 7075 _src_gromacs_gpu\n+00009580: 5f75 7469 6c73 202d 2d3e 0a3c 6720 6964 _utils -->.<g id\n+00009590: 3d22 6564 6765 3339 2220 636c 6173 733d =\"edge39\" class=\n+000095a0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+000095b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000095c0: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n+000095d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000095e0: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469 cs_gpu_utils</ti\n+000095f0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00009600: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n+00009610: 6564 2220 643d 224d 3130 3635 2c2d 3435 ed\" d=\"M1065,-45\n+00009620: 372e 3236 4331 3034 342e 3535 2c2d 3433 7.26C1044.55,-43\n+00009630: 372e 3239 2031 3030 302e 3735 2c2d 3339 7.29 1000.75,-39\n+00009640: 342e 3239 2039 3634 2e35 362c 2d33 3537 4.29 964.56,-357\n+00009650: 2e32 3220 3932 362e 3138 2c2d 3331 372e .22 926.18,-317.\n+00009660: 3931 2039 3237 2e31 382c 2d32 3934 2e38 91 927.18,-294.8\n+00009670: 3720 3837 392e 3536 2c2d 3236 372e 3438 7 879.56,-267.48\n+00009680: 2037 3133 2e33 322c 2d31 3731 2e38 3920 713.32,-171.89 \n+00009690: 3537 382e 3632 2c2d 3331 382e 3935 2034 578.62,-318.95 4\n+000096a0: 3539 2e35 362c 2d31 3638 2e36 3120 3435 59.56,-168.61 45\n+000096b0: 322e 3135 2c2d 3135 392e 3235 2034 3532 2.15,-159.25 452\n+000096c0: 2e35 322c 2d31 3531 2e33 3920 3435 392e .52,-151.39 459.\n+000096d0: 3536 2c2d 3134 312e 3734 2034 3633 2c2d 56,-141.74 463,-\n+000096e0: 3133 372e 3032 2035 3238 2e32 392c 2d31 137.02 528.29,-1\n+000096f0: 3137 2e32 3620 3537 312e 3838 2c2d 3130 17.26 571.88,-10\n+00009700: 342e 3438 222f 3e0a 3c70 6f6c 7967 6f6e 4.48\"/>.<polygon\n+00009710: 2066 696c 6c3d 2272 6564 2220 7374 726f fill=\"red\" stro\n+00009720: 6b65 3d22 7265 6422 2070 6f69 6e74 733d ke=\"red\" points=\n+00009730: 2235 3733 2e30 312c 2d31 3037 2e38 2035 \"573.01,-107.8 5\n+00009740: 3831 2e36 332c 2d31 3031 2e36 3320 3537 81.63,-101.63 57\n+00009750: 312e 3035 2c2d 3130 312e 3038 2035 3733 1.05,-101.08 573\n+00009760: 2e30 312c 2d31 3037 2e38 222f 3e0a 3c2f .01,-107.8\"/>.</\n+00009770: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00009780: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+00009790: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000097a0: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+000097b0: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564 ib -->.<g id=\"ed\n+000097c0: 6765 3430 2220 636c 6173 733d 2265 6467 ge40\" class=\"edg\n+000097d0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+000097e0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+000097f0: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n+00009800: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00009810: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib.....<\n+00009940: 6720 6964 3d22 6564 6765 3534 2220 636c g id=\"edge54\" cl\n+00009950: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+00009970: 6f6d 6163 735f 6d64 6c69 6226 2334 353b omacs_mdlib-\n+00009980: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00009990: 726f 6d61 6373 5f69 6d64 3c2f 7469 746c romacs_imd......\n+00009b60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00009b70: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n+00009b80: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00009b90: 6163 735f 6e62 6e78 6d3c 2f74 6974 6c65 acs_nbnxm</title\n+00009ba0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00009bb0: 6e65 2220 7374 726f 6b65 3d22 7265 6422 ne\" stroke=\"red\"\n+00009bc0: 2064 3d22 4d31 3035 312e 3231 2c2d 3436 d=\"M1051.21,-46\n+00009bd0: 332e 3233 4331 3034 322e 3836 2c2d 3436 3.23C1042.86,-46\n+00009be0: 302e 3934 2031 3033 332e 3739 2c2d 3435 0.94 1033.79,-45\n+00009bf0: 382e 3239 2031 3032 352e 3536 2c2d 3435 8.29 1025.56,-45\n+00009c00: 362e 3039 2039 3538 2e39 2c2d 3433 382e 6.09 958.9,-438.\n+00009c10: 3239 2039 3339 2e32 352c 2d34 3434 2e30 29 939.25,-444.0\n+00009c20: 3820 3837 342e 3536 2c2d 3432 302e 3039 8 874.56,-420.09\n+00009c30: 2038 3331 2e37 342c 2d34 3034 2e32 3120 831.74,-404.21 \n+00009c40: 3738 352e 3337 2c2d 3337 382e 3734 2037 785.37,-378.74 7\n+00009c50: 3538 2e38 342c 2d33 3631 2e38 3822 2f3e 58.84,-361.88\"/>\n+00009c60: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+00009c70: 7265 6422 2073 7472 6f6b 653d 2272 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-->.<g id=\"edge5\n+0000a2c0: 3522 2063 6c61 7373 3d22 6564 6765 223e 5\" class=\"edge\">\n+0000a2d0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0000a2e0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+0000a2f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000a300: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+0000a310: 6e75 7469 6c69 7479 3c2f 7469 746c 653e nutility\n+0000a320: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n+0000a400: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_gro\n+0000a4f0: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n+0000a500: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000a510: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio...<\n+0000a690: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..\n+0000a700: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0000a710: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+0000a720: 2623 3435 3b26 6774 3b6d 6f64 756c 655f 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6e6b 3a68 7265 e5\"><a xlink:hre\n+0000a900: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65 f=\"group__module\n+0000a910: 5f5f 7369 6d64 2e78 6874 6d6c 2220 7461 __simd.xhtml\" ta\n+0000a920: 7267 6574 3d22 5f74 6f70 2220 786c 696e rget=\"_top\" xlin\n+0000a930: 6b3a 7469 746c 653d 2273 696d 6422 3e0a k:title=\"simd\">.\n+0000a940: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 <ellipse fill=\"#\n+0000a950: 6666 6534 6363 2220 7374 726f 6b65 3d22 ffe4cc\" stroke=\"\n+0000a960: 626c 6163 6b22 2063 783d 2232 3431 352e black\" cx=\"2415.\n+0000a970: 3536 2220 6379 3d22 2d31 3033 352e 3336 56\" cy=\"-1035.36\n+0000a980: 2220 7278 3d22 3237 2220 7279 3d22 3133 \" rx=\"27\" ry=\"13\n+0000a990: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578 .37\"/>.<text tex\n+0000a9a0: 742d 616e 6368 6f72 3d22 6d69 6464 6c65 t-anchor=\"middle\n+0000a9b0: 2220 783d 2232 3431 352e 3536 2220 793d \" x=\"2415.56\" y=\n+0000a9c0: 222d 3130 3332 2e38 3622 2066 6f6e 742d \"-1032.86\" font-\n+0000a9d0: 6661 6d69 6c79 3d22 4672 6565 5361 6e73 family=\"FreeSans\n+0000a9e0: 2220 666f 6e74 2d73 697a 653d 2231 302e \" font-size=\"10.\n+0000a9f0: 3030 223e 7369 6d64 3c2f 7465 7874 3e0a 00\">simd</text>.\n+0000aa00: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c </a>.</g>.</g>.<\n+0000aa10: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000aa20: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+0000aa30: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+0000aa40: 756c 655f 7372 635f 7465 7374 7574 696c ule_src_testutil\n+0000aa50: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n+0000aa60: 6537 3322 2063 6c61 7373 3d22 6564 6765 e73\" class=\"edge\n+0000aa70: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+0000aa80: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+0000aa90: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n+0000aaa0: 6774 3b6d 6f64 756c 655f 7372 635f 7465 gt;module_src_te\n+0000aab0: 7374 7574 696c 733c 2f74 6974 6c65 3e0a stutils.\n+0000aac0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n+0000abb0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 .\n+0000ac20: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...\n+0000ac90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000aca0: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n+0000acb0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000acc0: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+0000acd0: 6e3c 2f74 6974 6c65 3e0a 3c70 6174 6820 n......module_src_gro\n+0000ae80: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n+0000ae90: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n+0000aea0: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n+0000aeb0: 6d64 6563 3c2f 7469 746c 653e 0a3c 7061 mdec......module_\n+0000b080: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n+0000b090: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n+0000b0a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000b0b0: 6d61 6373 5f6d 646c 6962 3c2f 7469 746c macs_mdlib</titl\n+0000b0c0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0000b0d0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+0000b0e0: 6266 6266 2220 643d 224d 3134 3537 2c2d bfbf\" d=\"M1457,-\n+0000b0f0: 3936 352e 3231 4331 3335 392e 3236 2c2d 965.21C1359.26,-\n+0000b100: 3935 312e 3732 2031 3134 372e 3432 2c2d 951.72 1147.42,-\n+0000b110: 3931 362e 3532 2031 3130 342e 3536 2c2d 916.52 1104.56,-\n+0000b120: 3836 302e 3138 2031 3039 372e 3333 2c2d 860.18 1097.33,-\n+0000b130: 3835 302e 3638 2031 3130 332e 3837 2c2d 850.68 1103.87,-\n+0000b140: 3834 352e 3233 2031 3130 342e 3536 2c2d 845.23 1104.56,-\n+0000b150: 3833 332e 3331 2031 3131 312e 3033 2c2d 833.31 1111.03,-\n+0000b160: 3732 312e 3133 2031 3133 362e 3739 2c2d 721.13 1136.79,-\n+0000b170: 3639 342e 3032 2031 3133 302e 3536 2c2d 694.02 1130.56,-\n+0000b180: 3538 312e 3833 2031 3132 392c 2d35 3533 581.83 1129,-553\n+0000b190: 2e37 3620 3131 3335 2e35 352c 2d35 3434 .76 1135.55,-544\n+0000b1a0: 2e33 3920 3131 3233 2e35 362c 2d35 3138 .39 1123.56,-518\n+0000b1b0: 2e39 3620 3131 3137 2e39 322c 2d35 3036 .96 1117.92,-506\n+0000b1c0: 2e39 3920 3131 3038 2e31 312c 2d34 3936 .99 1108.11,-496\n+0000b1d0: 2e31 3620 3130 3938 2e39 2c2d 3438 372e .16 1098.9,-487.\n+0000b1e0: 3739 222f 3e0a 3c70 6f6c 7967 6f6e 2066 79\"/>.<polygon f\n+0000b1f0: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+0000b200: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n+0000b210: 6f69 6e74 733d 2231 3130 302e 3937 2c2d oints=\"1100.97,-\n+0000b220: 3438 342e 3934 2031 3039 312e 3039 2c2d 484.94 1091.09,-\n+0000b230: 3438 312e 3120 3130 3936 2e34 312c 2d34 481.1 1096.41,-4\n+0000b240: 3930 2e32 3620 3131 3030 2e39 372c 2d34 90.26 1100.97,-4\n+0000b250: 3834 2e39 3422 2f3e 0a3c 2f67 3e0a 3c21 84.94\"/>.</g>.<!\n+0000b260: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+0000b270: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n+0000b280: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n+0000b290: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+0000b2a0: 7761 6c64 202d 2d3e 0a3c 6720 6964 3d22 wald -->.<g id=\"\n+0000b2b0: 6564 6765 3730 2220 636c 6173 733d 2265 edge70\" class=\"e\n+0000b2c0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+0000b2d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000b2e0: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n+0000b2f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000b300: 5f67 726f 6d61 6373 5f65 7761 6c64 3c2f _gromacs_ewald</\n+0000b310: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0000b320: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0000b330: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+0000b340: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+0000b350: 2064 3d22 4d31 3434 382e 3037 2c2d 3937 d=\"M1448.07,-97\n+0000b360: 302e 3835 4331 3232 302e 3832 2c2d 3936 0.85C1220.82,-96\n+0000b370: 382e 3136 2034 3036 2e39 382c 2d39 3536 8.16 406.98,-956\n+0000b380: 2e32 3420 3336 332e 3536 2c2d 3932 332e .24 363.56,-923.\n+0000b390: 3035 2032 3230 2e31 2c2d 3831 332e 3431 05 220.1,-813.41\n+0000b3a0: 2032 3935 2e30 382c 2d36 3631 2e37 3820 295.08,-661.78 \n+0000b3b0: 3430 352e 3536 2c2d 3531 382e 3936 2034 405.56,-518.96 4\n+0000b3c0: 3331 2e33 352c 2d34 3835 2e36 3220 3433 31.35,-485.62 43\n+0000b3d0: 392e 3435 2c2d 3437 362e 3037 2034 3736 9.45,-476.07 476\n+0000b3e0: 2e35 362c 2d34 3536 2e30 3920 3532 322e .56,-456.09 522.\n+0000b3f0: 3134 2c2d 3433 312e 3535 2035 3831 2e30 14,-431.55 581.0\n+0000b400: 342c 2d34 3138 2e37 3720 3631 382e 3831 4,-418.77 618.81\n+0000b410: 2c2d 3431 322e 3633 222f 3e0a 3c70 6f6c ,-412.63\"/>.<pol\n+0000b420: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n+0000b430: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n+0000b440: 6663 6322 2070 6f69 6e74 733d 2236 3139 fcc\" points=\"619\n+0000b450: 2e35 332c 2d34 3136 2e30 3620 3632 382e .53,-416.06 628.\n+0000b460: 3838 2c2d 3431 312e 3037 2036 3138 2e34 88,-411.07 618.4\n+0000b470: 362c 2d34 3039 2e31 3420 3631 392e 3533 6,-409.14 619.53\n+0000b480: 2c2d 3431 362e 3036 222f 3e0a 3c2f 673e ,-416.06\"/>.</g>\n+0000b490: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+0000b4a0: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n+0000b4b0: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n+0000b4c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000b4d0: 735f 6d64 7479 7065 7320 2d2d 3e0a 3c67 s_mdtypes -->.<g\n+0000b4e0: 2069 643d 2265 6467 6536 3322 2063 6c61 id=\"edge63\" cla\n+0000b4f0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0000b500: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0000b510: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n+0000b520: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n+0000b530: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0000b540: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types....<\n+0000b690: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000b6a0: 726f 6d61 6373 5f67 6d78 616e 6120 2d2d romacs_gmxana --\n+0000b6b0: 3e0a 3c67 2069 643d 226e 6f64 6531 3322 >..<\n+0000b6d0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0000b6e0: 5f67 726f 6d61 6373 5f67 6d78 616e 613c _gromacs_gmxana<\n+0000b6f0: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365 /title>.\n+0000b750: 0a3c 7465 7874 2074 6578 742d 616e 6368 .gmx\n+0000b7b0: 616e 613c 2f74 6578 743e 0a3c 2f67 3e0a ana..\n+0000b7c0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..\n+0000b830: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000b840: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n+0000b850: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000b860: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n+0000b870: 6e61 3c2f 7469 746c 653e 0a3c 7061 7468 na......modu\n+0000ba00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+0000ba10: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n+0000ba20: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000ba30: 6772 6f6d 6163 735f 7261 6e64 6f6d 3c2f gromacs_random</\n+0000ba40: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0000ba50: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0000ba60: 2262 6c61 636b 2220 7374 726f 6b65 2d64 \"black\" stroke-d\n+0000ba70: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+0000ba80: 3d22 4d31 3536 342e 3235 2c2d 3936 392e =\"M1564.25,-969.\n+0000ba90: 3737 4331 3731 312e 3734 2c2d 3936 352e 77C1711.74,-965.\n+0000baa0: 3035 2032 3039 392e 3738 2c2d 3935 302e 05 2099.78,-950.\n+0000bab0: 3334 2032 3232 352e 3536 2c2d 3932 332e 34 2225.56,-923.\n+0000bac0: 3035 2032 3330 332e 3036 2c2d 3930 362e 05 2303.06,-906.\n+0000bad0: 3233 2032 3332 372e 3739 2c2d 3930 352e 23 2327.79,-905.\n+0000bae0: 3935 2032 3339 322e 3536 2c2d 3836 302e 95 2392.56,-860.\n+0000baf0: 3138 2032 3433 302e 3339 2c2d 3833 332e 18 2430.39,-833.\n+0000bb00: 3435 2032 3436 372e 3036 2c2d 3831 312e 45 2467.06,-811.\n+0000bb10: 3437 2032 3434 352e 3536 2c2d 3737 302e 47 2445.56,-770.\n+0000bb20: 3434 2032 3433 322e 3531 2c2d 3734 352e 44 2432.51,-745.\n+0000bb30: 3534 2032 3430 392e 3537 2c2d 3735 372e 54 2409.57,-757.\n+0000bb40: 3535 2032 3339 332e 3536 2c2d 3733 342e 55 2393.56,-734.\n+0000bb50: 3434 2032 3335 372e 3234 2c2d 3638 322e 44 2357.24,-682.\n+0000bb60: 3031 2032 3333 392e 322c 2d35 3137 2e39 01 2339.2,-517.9\n+0000bb70: 3220 3233 3233 2e35 362c 2d34 3536 2e30 2 2323.56,-456.0\n+0000bb80: 3920 3233 3136 2e34 392c 2d34 3238 2e31 9 2316.49,-428.1\n+0000bb90: 3420 3233 3231 2e30 372c 2d34 3138 2e36 4 2321.07,-418.6\n+0000bba0: 3920 3233 3037 2e35 362c 2d33 3933 2e32 9 2307.56,-393.2\n+0000bbb0: 3220 3233 3031 2e37 352c 2d33 3832 2e32 2 2301.75,-382.2\n+0000bbc0: 3720 3232 3932 2e39 372c 2d33 3731 2e37 7 2292.97,-371.7\n+0000bbd0: 3720 3232 3834 2e38 362c 2d33 3633 2e33 7 2284.86,-363.3\n+0000bbe0: 3622 2f3e 0a3c 706f 6c79 676f 6e20 6669 6\"/>.<polygon fi\n+0000bbf0: 6c6c 3d22 626c 6163 6b22 2073 7472 6f6b ll=\"black\" strok\n+0000bc00: 653d 2262 6c61 636b 2220 706f 696e 7473 e=\"black\" points\n+0000bc10: 3d22 3232 3837 2e32 362c 2d33 3630 2e38 =\"2287.26,-360.8\n+0000bc20: 3220 3232 3737 2e36 392c 2d33 3536 2e32 2 2277.69,-356.2\n+0000bc30: 3720 3232 3832 2e33 342c 2d33 3635 2e37 7 2282.34,-365.7\n+0000bc40: 3920 3232 3837 2e32 362c 2d33 3630 2e38 9 2287.26,-360.8\n+0000bc50: 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 2\"/>.</g>.<!-- m\n+0000bc60: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000bc70: 735f 6666 7420 2d2d 3e0a 3c67 2069 643d s_fft -->.<g id=\n+0000bc80: 226e 6f64 6532 3022 2063 6c61 7373 3d22 \"node20\" class=\"\n+0000bc90: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f node\">.<title>mo\n+0000bca0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000bcb0: 5f66 6674 3c2f 7469 746c 653e 0a3c 656c _fft..fft\n+0000bd70: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d ....module\n+0000bdf0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+0000be00: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n+0000be10: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000be20: 6f6d 6163 735f 6666 743c 2f74 6974 6c65 omacs_fft</title\n+0000be30: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0000be40: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+0000be50: 6662 6622 2064 3d22 4d31 3434 382e 332c fbf\" d=\"M1448.3,\n+0000be60: 2d39 3730 2e33 3943 3133 3237 2e31 362c -970.39C1327.16,\n+0000be70: 2d39 3637 2e34 3520 3130 3532 2e32 322c -967.45 1052.22,\n+0000be80: 2d39 3537 2e31 3320 3936 352e 3536 2c2d -957.13 965.56,-\n+0000be90: 3932 332e 3035 2037 3933 2e33 352c 2d38 923.05 793.35,-8\n+0000bea0: 3535 2e33 3320 3734 312e 322c 2d37 3837 55.33 741.2,-787\n+0000beb0: 2e32 3420 3639 322e 3536 2c2d 3630 382e .24 692.56,-608.\n+0000bec0: 3720 3636 372e 3339 2c2d 3531 362e 3239 7 667.39,-516.29\n+0000bed0: 2037 3234 2e30 342c 2d34 3834 2e33 3420 724.04,-484.34 \n+0000bee0: 3639 342e 3536 2c2d 3339 332e 3232 2036 694.56,-393.22 6\n+0000bef0: 3931 2e31 312c 2d33 3832 2e35 3620 3638 91.11,-382.56 68\n+0000bf00: 342e 3334 2c2d 3337 322e 3237 2036 3737 4.34,-372.27 677\n+0000bf10: 2e36 372c 2d33 3633 2e39 3422 2f3e 0a3c .67,-363.94\"/>.<\n+0000bf20: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+0000bf30: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+0000bf40: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+0000bf50: 3638 302e 3331 2c2d 3336 312e 3635 2036 680.31,-361.65 6\n+0000bf60: 3731 2e31 362c 2d33 3536 2e33 3220 3637 71.16,-356.32 67\n+0000bf70: 342e 3939 2c2d 3336 362e 3220 3638 302e 4.99,-366.2 680.\n+0000bf80: 3331 2c2d 3336 312e 3635 222f 3e0a 3c2f 31,-361.65\"/>.</\n+0000bf90: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0000bfa0: 7263 5f67 726f 6d61 6373 5f67 6d78 7072 rc_gromacs_gmxpr\n+0000bfb0: 6570 726f 6365 7373 2623 3435 3b26 6774 eprocess->\n+0000bfc0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000bfd0: 6163 735f 6f70 7469 6f6e 7320 2d2d 3e0a acs_options -->.\n+0000bfe0: 3c67 2069 643d 2265 6467 6536 3822 2063 <g id=\"edge68\" c\n+0000bff0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+0000c000: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+0000c010: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+0000c020: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+0000c030: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000c040: 6f70 7469 6f6e 733c 2f74 6974 6c65 3e0a options.\n+0000c050: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_\n+0000c250: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n+0000c260: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n+0000c270: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000c280: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n+0000c290: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es....<\n+0000c440: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000c450: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+0000c460: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+0000c470: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000c480: 676d 786c 6962 202d 2d3e 0a3c 6720 6964 gmxlib -->..m\n+0000c4b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000c4c0: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n+0000c4d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000c4e0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n+0000c4f0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b..<\n+0000c650: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+0000c660: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+0000c670: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+0000c680: 3132 3439 2e35 2c2d 3135 342e 3131 2031 1249.5,-154.11 1\n+0000c690: 3233 392e 3338 2c2d 3135 372e 3234 2031 239.38,-157.24 1\n+0000c6a0: 3234 392e 3234 2c2d 3136 312e 3120 3132 249.24,-161.1 12\n+0000c6b0: 3439 2e35 2c2d 3135 342e 3131 222f 3e0a 49.5,-154.11\"/>.\n+0000c6c0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_gro\n+0000c740: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n+0000c750: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n+0000c760: 655f 7372 635f 6772 6f6d 6163 735f 696d e_src_gromacs_im\n+0000c770: 643c 2f74 6974 6c65 3e0a 3c70 6174 6820 d......module_src_gro\n+0000c9b0: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n+0000c9c0: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n+0000c9d0: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+0000c9e0: 6d6d 616e 646c 696e 653c 2f74 6974 6c65 mmandline.....\n+0000cbf0: 3c67 2069 643d 2265 6467 6536 3722 2063 .module_src_g\n+0000cc20: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+0000cc30: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+0000cc40: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000cc50: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469 mdrunutility.\n+0000ce30: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module\n+0000cf20: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+0000cf30: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n+0000cf40: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000cf50: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio</ti\n+0000cf60: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0000cf70: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0000cf80: 6266 6266 6266 2220 643d 224d 3135 3038 bfbfbf\" d=\"M1508\n+0000cf90: 2e32 372c 2d39 3538 2e38 3843 3135 3133 .27,-958.88C1513\n+0000cfa0: 2e39 342c 2d39 3139 2e30 3420 3135 3333 .94,-919.04 1533\n+0000cfb0: 2e33 352c 2d37 3936 2e38 3320 3135 3631 .35,-796.83 1561\n+0000cfc0: 2e35 362c 2d37 3730 2e34 3420 3136 3230 .56,-770.44 1620\n+0000cfd0: 2e31 382c 2d37 3135 2e35 3920 3136 3539 .18,-715.59 1659\n+0000cfe0: 2e39 382c 2d37 3530 2e38 3620 3137 3338 .98,-750.86 1738\n+0000cff0: 2e35 362c 2d37 3334 2e34 3420 3137 3436 .56,-734.44 1746\n+0000d000: 2e33 342c 2d37 3332 2e38 3220 3137 3534 .34,-732.82 1754\n+0000d010: 2e37 2c2d 3733 312e 3034 2031 3736 322e .7,-731.04 1762.\n+0000d020: 3539 2c2d 3732 392e 3335 222f 3e0a 3c70 59,-729.35\"/>.<p\n+0000d030: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+0000d040: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+0000d050: 6662 6662 6622 2070 6f69 6e74 733d 2231 fbfbf\" points=\"1\n+0000d060: 3736 332e 3534 2c2d 3733 322e 3733 2031 763.54,-732.73 1\n+0000d070: 3737 322e 3539 2c2d 3732 372e 3220 3137 772.59,-727.2 17\n+0000d080: 3632 2e30 372c 2d37 3235 2e38 3820 3137 62.07,-725.88 17\n+0000d090: 3633 2e35 342c 2d37 3332 2e37 3322 2f3e 63.54,-732.73\"/>\n+0000d0a0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+0000d0b0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+0000d0c0: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n+0000d0d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000d0e0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+0000d0f0: 6f72 6365 735f 6177 6820 2d2d 3e0a 3c67 orces_awh -->.<g\n+0000d100: 2069 643d 2265 6467 6536 3522 2063 6c61 id=\"edge65\" cla\n+0000d110: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0000d120: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0000d130: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n+0000d140: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n+0000d150: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n+0000d160: 706c 6965 645f 666f 7263 6573 5f61 7768 plied_forces_awh\n+0000d170: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....<\n+0000d330: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000d340: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n+0000d350: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000d360: 6772 6f6d 6163 735f 646f 6d64 6563 202d gromacs_domdec -\n+0000d370: 2d3e 0a3c 6720 6964 3d22 6564 6765 3734 ->..\n+0000d390: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+0000d3a0: 635f 6772 6f6d 6163 735f 6577 616c 6426 c_gromacs_ewald&\n+0000d3b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000d3c0: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+0000d3d0: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820 c......\n+0000d5e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000d5f0: 6373 5f65 7761 6c64 2623 3435 3b26 6774 cs_ewald->\n+0000d600: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000d610: 6163 735f 6d64 6c69 623c 2f74 6974 6c65 acs_mdlib</title\n+0000d620: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0000d630: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+0000d640: 6662 6622 2064 3d22 4d36 3835 2e31 312c fbf\" d=\"M685.11,\n+0000d650: 2d34 3039 2e33 3943 3734 392e 3837 2c2d -409.39C749.87,-\n+0000d660: 3431 342e 3033 2039 3131 2e34 392c 2d34 414.03 911.49,-4\n+0000d670: 3238 2e32 3720 3130 3433 2e35 362c 2d34 28.27 1043.56,-4\n+0000d680: 3536 2e30 3920 3130 3434 2e38 322c 2d34 56.09 1044.82,-4\n+0000d690: 3536 2e33 3520 3130 3436 2e30 392c 2d34 56.35 1046.09,-4\n+0000d6a0: 3536 2e36 3420 3130 3437 2e33 372c 2d34 56.64 1047.37,-4\n+0000d6b0: 3536 2e39 3422 2f3e 0a3c 706f 6c79 676f 56.94\"/>.<polygo\n+0000d6c0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+0000d6d0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0000d6e0: 2220 706f 696e 7473 3d22 3130 3436 2e35 \" points=\"1046.5\n+0000d6f0: 382c 2d34 3630 2e33 3520 3130 3537 2e31 8,-460.35 1057.1\n+0000d700: 342c 2d34 3539 2e34 3720 3130 3438 2e33 4,-459.47 1048.3\n+0000d710: 342c 2d34 3533 2e35 3720 3130 3436 2e35 4,-453.57 1046.5\n+0000d720: 382c 2d34 3630 2e33 3522 2f3e 0a3c 2f67 8,-460.35\"/>.</g\n+0000d730: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+0000d740: 635f 6772 6f6d 6163 735f 6577 616c 6426 c_gromacs_ewald&\n+0000d750: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000d760: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+0000d770: 6573 202d 2d3e 0a3c 6720 6964 3d22 6564 es -->.<g id=\"ed\n+0000d780: 6765 3737 2220 636c 6173 733d 2265 6467 ge77\" class=\"edg\n+0000d790: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+0000d7a0: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n+0000d7b0: 616c 6426 2334 353b 2667 743b 6d6f 6475 ald->modu\n+0000d7c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0000d7d0: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes.<\n+0000d7e0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0000d7f0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0000d800: 2220 643d 224d 3638 322e 3736 2c2d 3431 \" d=\"M682.76,-41\n+0000d810: 322e 3533 4337 3435 2e39 322c 2d34 3235 2.53C745.92,-425\n+0000d820: 2e34 3120 3931 302e 3338 2c2d 3436 302e .41 910.38,-460.\n+0000d830: 3835 2031 3034 382e 3536 2c2d 3438 322e 85 1048.56,-482.\n+0000d840: 3936 2031 3136 392e 3735 2c2d 3530 322e 96 1169.75,-502.\n+0000d850: 3336 2031 3331 332e 3133 2c2d 3531 382e 36 1313.13,-518.\n+0000d860: 3336 2031 3338 342e 3937 2c2d 3532 362e 36 1384.97,-526.\n+0000d870: 3139 222f 3e0a 3c70 6f6c 7967 6f6e 2066 19\"/>...<\n+0000d8f0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000d900: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n+0000d910: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000d920: 6772 6f6d 6163 735f 6666 7420 2d2d 3e0a gromacs_fft -->.\n+0000d930: 3c67 2069 643d 2265 6467 6537 3922 2063 .module_src_g\n+0000d960: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n+0000d970: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000d980: 6772 6f6d 6163 735f 6666 743c 2f74 6974 gromacs_fft....\n+0000da60: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module\n+0000dad0: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n+0000dae0: 6c64 2623 3435 3b26 6774 3b6d 6f64 756c ld->modul\n+0000daf0: 655f 7372 635f 6772 6f6d 6163 735f 6861 e_src_gromacs_ha\n+0000db00: 7264 7761 7265 3c2f 7469 746c 653e 0a3c rdware.<\n+0000db10: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0000db20: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n+0000db30: 224d 3634 322e 3732 2c2d 3339 342e 3439 \"M642.72,-394.49\n+0000db40: 4336 3231 2e34 362c 2d33 3736 2e32 3620 C621.46,-376.26 \n+0000db50: 3538 312e 3933 2c2d 3333 372e 3735 2035 581.93,-337.75 5\n+0000db60: 3639 2e35 362c 2d32 3934 2e33 3520 3536 69.56,-294.35 56\n+0000db70: 352e 3331 2c2d 3237 392e 3433 2035 3634 5.31,-279.43 564\n+0000db80: 2e36 362c 2d32 3233 2e32 3420 3537 312e .66,-223.24 571.\n+0000db90: 3536 2c2d 3230 342e 3631 2035 3735 2e36 56,-204.61 575.6\n+0000dba0: 2c2d 3139 332e 3732 2035 3833 2e31 332c ,-193.72 583.13,\n+0000dbb0: 2d31 3833 2e34 3220 3539 302e 3531 2c2d -183.42 590.51,-\n+0000dbc0: 3137 352e 3135 222f 3e0a 3c70 6f6c 7967 175.15\"/>.....module_src_gro\n+0000dcb0: 6d61 6373 5f65 7761 6c64 2623 3435 3b26 macs_ewald-&\n+0000dcc0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000dcd0: 6f6d 6163 735f 6770 755f 7574 696c 733c omacs_gpu_utils<\n+0000dce0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......module_src_grom\n+0000dee0: 6163 735f 6577 616c 6426 2334 353b 2667 acs_ewald-&g\n+0000def0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000df00: 6d61 6373 5f67 6d78 6c69 623c 2f74 6974 macs_gmxlib......module\n+0000e140: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n+0000e150: 6c64 2623 3435 3b26 6774 3b6d 6f64 756c ld->modul\n+0000e160: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n+0000e170: 6e78 6d3c 2f74 6974 6c65 3e0a 3c70 6174 nxm......\n+0000e2d0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+0000e2e0: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+0000e2f0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+0000e300: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n+0000e310: 6465 633c 2f74 6974 6c65 3e0a 3c70 6174 dec....\n+0000e470: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n+0000e4e0: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+0000e4f0: 7065 7326 2334 353b 2667 743b 6d6f 6475 pes->modu\n+0000e500: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0000e510: 646c 6962 3c2f 7469 746c 653e 0a3c 7061 dlib......<\n+0000e690: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0000e6a0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n+0000e6b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000e6c0: 7372 635f 6772 6f6d 6163 735f 6577 616c src_gromacs_ewal\n+0000e6d0: 643c 2f74 6974 6c65 3e0a 3c70 6174 6820 d......module_\n+0000e870: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+0000e880: 7065 7326 2334 353b 2667 743b 6d6f 6475 pes->modu\n+0000e890: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+0000e8a0: 7075 5f75 7469 6c73 3c2f 7469 746c 653e pu_utils\n+0000e8b0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n+0000ea00: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .<\n+0000ea70: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mo\n+0000eae0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000eaf0: 5f6d 6474 7970 6573 2623 3435 3b26 6774 _mdtypes->\n+0000eb00: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000eb10: 6163 735f 6669 6c65 696f 3c2f 7469 746c acs_fileio</titl\n+0000eb20: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0000eb30: 6f6e 6522 2073 7472 6f6b 653d 2223 3263 one\" stroke=\"#2c\n+0000eb40: 6363 3238 2220 7374 726f 6b65 2d64 6173 cc28\" stroke-das\n+0000eb50: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0000eb60: 4d31 3435 322e 3135 2c2d 3534 332e 3532 M1452.15,-543.52\n+0000eb70: 4331 3436 372e 3234 2c2d 3535 322e 3931 C1467.24,-552.91\n+0000eb80: 2031 3438 362e 3835 2c2d 3536 372e 3533 1486.85,-567.53\n+0000eb90: 2031 3530 322e 3536 2c2d 3538 312e 3833 1502.56,-581.83\n+0000eba0: 2031 3531 342e 3632 2c2d 3539 322e 3831 1514.62,-592.81\n+0000ebb0: 2031 3531 342e 3131 2c2d 3539 392e 3437 1514.11,-599.47\n+0000ebc0: 2031 3532 372e 3536 2c2d 3630 382e 3720 1527.56,-608.7 \n+0000ebd0: 3136 3034 2e39 342c 2d36 3631 2e37 3620 1604.94,-661.76 \n+0000ebe0: 3137 3131 2e33 372c 2d36 3935 2e33 3320 1711.37,-695.33 \n+0000ebf0: 3137 3634 2e32 392c 2d37 3130 2e35 3122 1764.29,-710.51\"\n+0000ec00: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+0000ec10: 3d22 2332 6363 6332 3822 2073 7472 6f6b =\"#2ccc28\" strok\n+0000ec20: 653d 2223 3263 6363 3238 2220 706f 696e e=\"#2ccc28\" poin\n+0000ec30: 7473 3d22 3137 3633 2e35 362c 2d37 3133 ts=\"1763.56,-713\n+0000ec40: 2e39 3420 3137 3734 2e31 342c 2d37 3133 .94 1774.14,-713\n+0000ec50: 2e33 3120 3137 3635 2e34 372c 2d37 3037 .31 1765.47,-707\n+0000ec60: 2e32 3120 3137 3633 2e35 362c 2d37 3133 .21 1763.56,-713\n+0000ec70: 2e39 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d .94\"/>.</g>.<!--\n+0000ec80: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+0000ec90: 6163 735f 6d64 7479 7065 7326 2334 353b acs_mdtypes-\n+0000eca0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000ecb0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+0000ecc0: 6f72 6365 735f 6177 6820 2d2d 3e0a 3c67 orces_awh -->.<g\n+0000ecd0: 2069 643d 2265 6467 6538 3422 2063 6c61 id=\"edge84\" cla\n+0000ece0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0000ecf0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0000ed00: 6d61 6373 5f6d 6474 7970 6573 2623 3435 macs_mdtypes-\n+0000ed10: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000ed20: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+0000ed30: 666f 7263 6573 5f61 7768 3c2f 7469 746c forces_awh</titl\n+0000ed40: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0000ed50: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+0000ed60: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+0000ed70: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0000ed80: 4d31 3436 312e 3934 2c2d 3532 342e 3539 M1461.94,-524.59\n+0000ed90: 4331 3530 392e 3136 2c2d 3531 352e 3434 C1509.16,-515.44\n+0000eda0: 2031 3630 302e 3634 2c2d 3439 382e 3532 1600.64,-498.52\n+0000edb0: 2031 3637 382e 3536 2c2d 3438 322e 3936 1678.56,-482.96\n+0000edc0: 2031 3830 302e 3037 2c2d 3435 382e 3720 1800.07,-458.7 \n+0000edd0: 3139 3434 2e33 322c 2d34 3237 2e35 3520 1944.32,-427.55 \n+0000ede0: 3230 3039 2e36 332c 2d34 3134 2e32 222f 2009.63,-414.2\"/\n+0000edf0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+0000ee00: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+0000ee10: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n+0000ee20: 733d 2232 3031 302e 3639 2c2d 3431 372e s=\"2010.69,-417.\n+0000ee30: 3536 2032 3031 392e 3739 2c2d 3431 322e 56 2019.79,-412.\n+0000ee40: 3134 2032 3030 392e 3239 2c2d 3431 302e 14 2009.29,-410.\n+0000ee50: 3720 3230 3130 2e36 392c 2d34 3137 2e35 7 2010.69,-417.5\n+0000ee60: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6\"/>.</g>.<!-- m\n+0000ee70: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000ee80: 735f 636f 6f72 6469 6e61 7465 696f 202d s_coordinateio -\n+0000ee90: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3922 ->.<g id=\"node9\"\n+0000eea0: 2063 6c61 7373 3d22 6e6f 6465 223e 0a3c class=\"node\">.<\n+0000eeb0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0000eec0: 5f67 726f 6d61 6373 5f63 6f6f 7264 696e _gromacs_coordin\n+0000eed0: 6174 6569 6f3c 2f74 6974 6c65 3e0a 3c67 ateio...c\n+0000f000: 6f6f 7264 696e 6174 6569 6f3c 2f74 6578 oordinateio......module_src_gro\n+0000f0a0: 6d61 6373 5f63 6f6f 7264 696e 6174 6569 macs_coordinatei\n+0000f0b0: 6f26 2334 353b 2667 743b 6d6f 6475 6c65 o->module\n+0000f0c0: 5f73 7263 5f67 726f 6d61 6373 5f6f 7074 _src_gromacs_opt\n+0000f0d0: 696f 6e73 3c2f 7469 746c 653e 0a3c 7061 ions......module_src_gro\n+0000f280: 6d61 6373 5f65 7373 656e 7469 616c 6479 macs_essentialdy\n+0000f290: 6e61 6d69 6373 2623 3435 3b26 6774 3b6d namics->m\n+0000f2a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000f2b0: 735f 646f 6d64 6563 3c2f 7469 746c 653e s_domdec\n+0000f2c0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module\n+0000f4c0: 5f73 7263 5f67 726f 6d61 6373 5f65 7373 _src_gromacs_ess\n+0000f4d0: 656e 7469 616c 6479 6e61 6d69 6373 2623 entialdynamics&#\n+0000f4e0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000f4f0: 635f 6772 6f6d 6163 735f 6d64 6c69 623c c_gromacs_mdlib<\n+0000f500: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0000f510: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0000f520: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n+0000f530: 3437 392e 3035 2c2d 3431 332e 3538 4331 479.05,-413.58C1\n+0000f540: 3430 312e 3333 2c2d 3432 312e 3235 2031 401.33,-421.25 1\n+0000f550: 3236 312e 3434 2c2d 3433 362e 3036 2031 261.44,-436.06 1\n+0000f560: 3134 322e 3536 2c2d 3435 362e 3039 2031 142.56,-456.09 1\n+0000f570: 3133 322e 3835 2c2d 3435 372e 3733 2031 132.85,-457.73 1\n+0000f580: 3132 322e 3239 2c2d 3435 392e 3931 2031 122.29,-459.91 1\n+0000f590: 3131 322e 3434 2c2d 3436 3222 2f3e 0a3c 112.44,-462\"/>.<\n+0000f5a0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+0000f5b0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+0000f5c0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+0000f5d0: 3131 3131 2e35 352c 2d34 3538 2e36 3120 1111.55,-458.61 \n+0000f5e0: 3131 3032 2e34 392c 2d34 3634 2e31 2031 1102.49,-464.1 1\n+0000f5f0: 3131 332c 2d34 3635 2e34 3620 3131 3131 113,-465.46 1111\n+0000f600: 2e35 352c 2d34 3538 2e36 3122 2f3e 0a3c .55,-458.61\"/>.<\n+0000f610: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+0000f620: 7372 635f 6772 6f6d 6163 735f 6573 7365 src_gromacs_esse\n+0000f630: 6e74 6961 6c64 796e 616d 6963 7326 2334 ntialdynamics\n+0000f640: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000f650: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n+0000f660: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+0000f670: 3935 2220 636c 6173 733d 2265 6467 6522 95\" class=\"edge\"\n+0000f680: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0000f690: 7372 635f 6772 6f6d 6163 735f 6573 7365 src_gromacs_esse\n+0000f6a0: 6e74 6961 6c64 796e 616d 6963 7326 2334 ntialdynamics\n+0000f6b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000f6c0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n+0000f6d0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......\n+0000f830: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000f840: 6373 5f65 7373 656e 7469 616c 6479 6e61 cs_essentialdyna\n+0000f850: 6d69 6373 2623 3435 3b26 6774 3b6d 6f64 mics->mod\n+0000f860: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000f870: 676d 786c 6962 3c2f 7469 746c 653e 0a3c gmxlib.<\n+0000f880: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0000f890: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0000f8a0: 2220 643d 224d 3135 3337 2e38 372c 2d33 \" d=\"M1537.87,-3\n+0000f8b0: 3933 2e31 3443 3135 3335 2e32 312c 2d33 93.14C1535.21,-3\n+0000f8c0: 3537 2e35 3220 3135 3232 2e34 322c 2d32 57.52 1522.42,-2\n+0000f8d0: 3534 2e38 3820 3134 3632 2e35 362c 2d32 54.88 1462.56,-2\n+0000f8e0: 3034 2e36 3120 3134 3330 2e37 372c 2d31 04.61 1430.77,-1\n+0000f8f0: 3737 2e39 3120 3133 3132 2e36 362c 2d31 77.91 1312.66,-1\n+0000f900: 3634 2e35 3620 3132 3438 2e39 342c 2d31 64.56 1248.94,-1\n+0000f910: 3539 2e31 3722 2f3e 0a3c 706f 6c79 676f 59.17\"/>.....modul\n+0000fa10: 655f 7372 635f 6772 6f6d 6163 735f 6573 e_src_gromacs_es\n+0000fa20: 7365 6e74 6961 6c64 796e 616d 6963 7326 sentialdynamics&\n+0000fa30: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000fa40: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61 rc_gromacs_comma\n+0000fa50: 6e64 6c69 6e65 3c2f 7469 746c 653e 0a3c ndline.<\n+0000fa60: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0000fa70: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+0000fa80: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+0000fa90: 3d22 352c 3222 2064 3d22 4d31 3534 322e =\"5,2\" d=\"M1542.\n+0000faa0: 3232 2c2d 3339 332e 3039 4331 3535 332e 22,-393.09C1553.\n+0000fab0: 3332 2c2d 3335 372e 3331 2031 3539 302e 32,-357.31 1590.\n+0000fac0: 3139 2c2d 3235 342e 3332 2031 3635 392e 19,-254.32 1659.\n+0000fad0: 3536 2c2d 3230 342e 3631 2031 3733 322e 56,-204.61 1732.\n+0000fae0: 3436 2c2d 3135 322e 3338 2031 3939 372e 46,-152.38 1997.\n+0000faf0: 3131 2c2d 3131 342e 3438 2032 3131 342e 11,-114.48 2114.\n+0000fb00: 3139 2c2d 3939 2e39 222f 3e0a 3c70 6f6c 19,-99.9\"/>...<\n+0000fb80: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000fb90: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n+0000fba0: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n+0000fbb0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000fbc0: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n+0000fbd0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->..module_\n+0000fc00: 7372 635f 6772 6f6d 6163 735f 6573 7365 src_gromacs_esse\n+0000fc10: 6e74 6961 6c64 796e 616d 6963 7326 2334 ntialdynamics\n+0000fc20: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000fc30: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n+0000fc40: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility......modul\n+0000fe20: 655f 7372 635f 6772 6f6d 6163 735f 6573 e_src_gromacs_es\n+0000fe30: 7365 6e74 6961 6c64 796e 616d 6963 7326 sentialdynamics&\n+0000fe40: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000fe50: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n+0000fe60: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o..\n+0000ff30: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ...\n-000101c0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-000101d0: 7263 5f67 726f 6d61 6373 5f67 6d78 7072 rc_gromacs_gmxpr\n-000101e0: 6570 726f 6365 7373 2623 3435 3b26 6774 eprocess->\n-000101f0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00010200: 6163 735f 636f 6d6d 616e 646c 696e 653c acs_commandline<\n-00010210: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00010220: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00010230: 3d22 626c 6163 6b22 2073 7472 6f6b 652d =\"black\" stroke-\n-00010240: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-00010250: 643d 224d 3133 3034 2e35 312c 2d31 3134 d=\"M1304.51,-114\n-00010260: 372e 3536 4331 3239 352e 3833 2c2d 3131 7.56C1295.83,-11\n-00010270: 3136 2e34 3220 3132 3733 2e32 2c2d 3130 16.42 1273.2,-10\n-00010280: 3335 2e32 3120 3132 3632 2e31 392c 2d39 35.21 1262.19,-9\n-00010290: 3935 2e37 3122 2f3e 0a3c 706f 6c79 676f 95.71\"/>.<polygo\n-000102a0: 6e20 6669 6c6c 3d22 626c 6163 6b22 2073 n fill=\"black\" s\n-000102b0: 7472 6f6b 653d 2262 6c61 636b 2220 706f troke=\"black\" po\n-000102c0: 696e 7473 3d22 3132 3635 2e35 332c 2d39 ints=\"1265.53,-9\n-000102d0: 3934 2e36 3620 3132 3539 2e34 382c 2d39 94.66 1259.48,-9\n-000102e0: 3835 2e39 3720 3132 3538 2e37 392c 2d39 85.97 1258.79,-9\n-000102f0: 3936 2e35 3420 3132 3635 2e35 332c 2d39 96.54 1265.53,-9\n-00010300: 3934 2e36 3622 2f3e 0a3c 2f67 3e0a 3c21 94.66\"/>.</g>.<!\n-00010310: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-00010320: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n-00010330: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n-00010340: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00010350: 6472 756e 7574 696c 6974 7920 2d2d 3e0a drunutility -->.\n-00010360: 3c67 2069 643d 2265 6467 6531 3035 2220 <g id=\"edge105\" \n-00010370: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-00010380: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-00010390: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n-000103a0: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n-000103b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000103c0: 5f6d 6472 756e 7574 696c 6974 793c 2f74 _mdrunutility</t\n-000103d0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-000103e0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-000103f0: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-00010400: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-00010410: 643d 224d 3133 3534 2e34 342c 2d31 3135 d=\"M1354.44,-115\n-00010420: 322e 3838 4331 3434 362e 3232 2c2d 3131 2.88C1446.22,-11\n-00010430: 3337 2e33 2031 3634 322c 2d31 3039 362e 37.3 1642,-1096.\n-00010440: 3936 2031 3634 322c 2d31 3033 362e 3336 96 1642,-1036.36\n-00010450: 2031 3634 322c 2d31 3033 362e 3336 2031 1642,-1036.36 1\n-00010460: 3634 322c 2d31 3033 362e 3336 2031 3634 642,-1036.36 164\n-00010470: 322c 2d39 3731 2e34 3920 3136 3432 2c2d 2,-971.49 1642,-\n-00010480: 3838 332e 3735 2031 3334 302e 3738 2c2d 883.75 1340.78,-\n-00010490: 3835 372e 3436 2031 3231 322e 3632 2c2d 857.46 1212.62,-\n-000104a0: 3835 302e 3235 222f 3e0a 3c70 6f6c 7967 850.25\"/>.<polyg\n-000104b0: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n-000104c0: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n-000104d0: 6322 2070 6f69 6e74 733d 2231 3231 322e c\" points=\"1212.\n-000104e0: 3738 2c2d 3834 362e 3735 2031 3230 322e 78,-846.75 1202.\n-000104f0: 362c 2d38 3439 2e37 3120 3132 3132 2e33 6,-849.71 1212.3\n-00010500: 392c 2d38 3533 2e37 3420 3132 3132 2e37 9,-853.74 1212.7\n-00010510: 382c 2d38 3436 2e37 3522 2f3e 0a3c 2f67 8,-846.75\"/>.</g\n-00010520: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00010530: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n-00010540: 7072 6f63 6573 7326 2334 353b 2667 743b process->\n-00010550: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00010560: 6373 5f6c 6973 7465 645f 666f 7263 6573 cs_listed_forces\n-00010570: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-00010580: 3130 3622 2063 6c61 7373 3d22 6564 6765 106\" class=\"edge\n-00010590: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-000105a0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-000105b0: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n-000105c0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000105d0: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n-000105e0: 6365 733c 2f74 6974 6c65 3e0a 3c70 6174 ces..\n-00010760: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .\n-000107d0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..\n-00010820: 3c67 2069 643d 2265 6467 6531 3034 2220 .module_src_\n-00010850: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n-00010860: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n-00010870: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00010880: 5f6d 6472 756e 3c2f 7469 746c 653e 0a3c _mdrun.<\n-00010890: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-000108a0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-000108b0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-000108c0: 6179 3d22 352c 3222 2064 3d22 4d31 3235 ay=\"5,2\" d=\"M125\n-000108d0: 322e 3338 2c2d 3131 3536 2e36 3743 3130 2.38,-1156.67C10\n-000108e0: 3830 2e32 382c 2d31 3134 352e 3332 2035 80.28,-1145.32 5\n-000108f0: 3638 2c2d 3131 3035 2e37 3220 3536 382c 68,-1105.72 568,\n-00010900: 2d31 3033 362e 3336 2035 3638 2c2d 3130 -1036.36 568,-10\n-00010910: 3336 2e33 3620 3536 382c 2d31 3033 362e 36.36 568,-1036.\n-00010920: 3336 2035 3638 2c2d 3937 312e 3439 2035 36 568,-971.49 5\n-00010930: 3638 2c2d 3730 392e 3039 2039 3135 2e36 68,-709.09 915.6\n-00010940: 392c 2d35 3331 2e36 3220 3130 3231 2e36 9,-531.62 1021.6\n-00010950: 392c 2d34 3833 2e36 3122 2f3e 0a3c 706f 9,-483.61\"/>.\n-000109d0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modul\n-00010bf0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-00010c00: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n-00010c10: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00010c20: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74 romacs_fileio</t\n-00010c30: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00010c40: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00010c50: 2362 6662 6662 6622 2064 3d22 4d31 3330 #bfbfbf\" d=\"M130\n-00010c60: 302e 3738 2c2d 3131 3437 2e35 3143 3132 0.78,-1147.51C12\n-00010c70: 3737 2e33 382c 2d31 3130 372e 3135 2031 77.38,-1107.15 1\n-00010c80: 3230 322e 3738 2c2d 3938 322e 3234 2031 202.78,-982.24 1\n-00010c90: 3136 332c 2d39 3539 2e30 3520 3130 3939 163,-959.05 1099\n-00010ca0: 2e36 352c 2d39 3232 2e31 3320 3930 362e .65,-922.13 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3b26 6774 3b6d 6f64 756c 655f ->module_\n-00010da0: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n-00010db0: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564 ib -->.<g id=\"ed\n-00010dc0: 6765 3934 2220 636c 6173 733d 2265 6467 ge94\" class=\"edg\n-00010dd0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-00010de0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-00010df0: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n-00010e00: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00010e10: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74 romacs_gmxlib</t\n-00010e20: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00010e30: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00010e40: 2362 6662 6662 6622 2064 3d22 4d31 3336 #bfbfbf\" d=\"M136\n-00010e50: 362e 3832 2c2d 3131 3630 2e34 3443 3134 6.82,-1160.44C14\n-00010e60: 3935 2e38 332c 2d31 3136 302e 3337 2031 95.83,-1160.37 1\n-00010e70: 3739 392e 3438 2c2d 3131 3535 2e34 2031 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2070 6f69 6e74 733d 2231 3737 342e 3538 points=\"1774.58\n-00010f70: 2c2d 3931 2e33 3220 3137 3634 2e34 352c ,-91.32 1764.45,\n-00010f80: 2d39 342e 3420 3137 3734 2e32 392c 2d39 -94.4 1774.29,-9\n-00010f90: 382e 3331 2031 3737 342e 3538 2c2d 3931 8.31 1774.58,-91\n-00010fa0: 2e33 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d .32\"/>.</g>.<!--\n-00010fb0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-00010fc0: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n-00010fd0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-00010fe0: 5f73 7263 5f67 726f 6d61 6373 5f72 616e _src_gromacs_ran\n-00010ff0: 646f 6d20 2d2d 3e0a 3c67 2069 643d 2265 dom -->.<g id=\"e\n-00011000: 6467 6539 3922 2063 6c61 7373 3d22 6564 dge99\" class=\"ed\n-00011010: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-00011020: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-00011030: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n-00011040: 3b26 6774 3b6d 6f64 756c 655f 7372 635f 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635f 6772 6f6d module_src_grom\n-00011220: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n-00011230: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-00011240: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n-00011250: 7970 6573 202d 2d3e 0a3c 6720 6964 3d22 ypes -->.<g id=\"\n-00011260: 6564 6765 3936 2220 636c 6173 733d 2265 edge96\" class=\"e\n-00011270: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-00011280: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00011290: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n-000112a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000112b0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-000112c0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n-000113b0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ..\n-00011480: 0a3c 6720 6964 3d22 6564 6765 3130 3022 ..<\n-000114a0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-000114b0: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 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6c61 636b 2220 6378 3d22 3232 3838 2220 lack\" cx=\"2288\" \n-000117d0: 6379 3d22 2d31 3033 352e 3336 2220 7278 cy=\"-1035.36\" rx\n-000117e0: 3d22 3336 2e31 3222 2072 793d 2231 332e =\"36.12\" ry=\"13.\n-000117f0: 3337 222f 3e0a 3c74 6578 7420 7465 7874 37\"/>.<text text\n-00011800: 2d61 6e63 686f 723d 226d 6964 646c 6522 -anchor=\"middle\"\n-00011810: 2078 3d22 3232 3838 2220 793d 222d 3130 x=\"2288\" y=\"-10\n-00011820: 3332 2e38 3622 2066 6f6e 742d 6661 6d69 32.86\" font-fami\n-00011830: 6c79 3d22 4672 6565 5361 6e73 2220 666f ly=\"FreeSans\" fo\n-00011840: 6e74 2d73 697a 653d 2231 302e 3030 223e nt-size=\"10.00\">\n-00011850: 7465 7374 7574 696c 733c 2f74 6578 743e testutils</text>\n-00011860: 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a .</a>.</g>.</g>.\n-00011870: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-00011880: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n-00011890: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n-000118a0: 6475 6c65 5f73 7263 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2e30 3420 3336 312e 3738 2c2d 3336 352e .04 361.78,-365.\n-00011c50: 3531 222f 3e0a 3c2f 673e 0a3c 212d 2d20 51\"/>.</g>.<!-- \n-00011c60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00011c70: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 2623 cs_commandline&#\n-00011c80: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00011c90: 635f 6772 6f6d 6163 735f 6f6e 6c69 6e65 c_gromacs_online\n-00011ca0: 6865 6c70 202d 2d3e 0a3c 6720 6964 3d22 help -->.<g id=\"\n-00011cb0: 6564 6765 3131 3122 2063 6c61 7373 3d22 edge111\" class=\"\n-00011cc0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-00011cd0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00011ce0: 5f63 6f6d 6d61 6e64 6c69 6e65 2623 3435 _commandline-\n-00011cf0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00011d00: 6772 6f6d 6163 735f 6f6e 6c69 6e65 6865 gromacs_onlinehe\n-00011d10: 6c70 3c2f 7469 746c 653e 0a3c 7061 7468 lp......module_src_grom\n-000120b0: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n-000120c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000120d0: 7372 635f 6772 6f6d 6163 735f 6861 7264 src_gromacs_hard\n-000120e0: 7761 7265 3c2f 7469 746c 653e 0a3c 7061 ware....\n-000121d0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .\n-00012220: 3c67 2069 643d 2265 6467 6531 3137 2220 .module_src_\n-00012250: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n-00012260: 6c69 7479 2623 3435 3b26 6774 3b6d 6f64 lity->mod\n-00012270: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00012280: 636f 6d6d 616e 646c 696e 653c 2f74 6974 commandline......modul\n-000125e0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-000125f0: 7275 6e75 7469 6c69 7479 2623 3435 3b26 runutility-&\n-00012600: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00012610: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio</ti\n-00012620: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00012630: 226e 6f6e 6522 2073 7472 6f6b 653d 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_gromacs_mdrunut\n-00012720: 696c 6974 7926 2334 353b 2667 743b 6d6f ility->mo\n-00012730: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00012740: 5f67 6d78 6c69 6220 2d2d 3e0a 3c67 2069 _gmxlib -->.<g i\n-00012750: 643d 2265 6467 6531 3132 2220 636c 6173 d=\"edge112\" clas\n-00012760: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-00012770: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-00012780: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n-00012790: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000127a0: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n-000127b0: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib......modul\n-000129b0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-000129c0: 7275 6e75 7469 6c69 7479 2623 3435 3b26 runutility-&\n-000129d0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000129e0: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes</t\n-000129f0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00012a00: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00012a10: 2362 6662 6662 6622 2064 3d22 4d31 3136 #bfbfbf\" d=\"M116\n-00012a20: 322e 3035 2c2d 3833 332e 3443 3131 3731 2.05,-833.4C1171\n-00012a30: 2e36 362c 2d38 3133 2e32 3120 3131 3930 .66,-813.21 1190\n-00012a40: 2e33 332c 2d37 3731 2e36 3520 3132 3030 .33,-771.65 1200\n-00012a50: 2c2d 3733 342e 3434 2031 3230 342e 3534 ,-734.44 1204.54\n-00012a60: 2c2d 3731 362e 3938 2031 3230 372e 3038 ,-716.98 1207.08\n-00012a70: 2c2d 3639 362e 3638 2031 3230 382e 3437 ,-696.68 1208.47\n-00012a80: 2c2d 3638 312e 3535 222f 3e0a 3c70 6f6c ,-681.55\"/>.<pol\n-00012a90: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n-00012aa0: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n-00012ab0: 6662 6622 2070 6f69 6e74 733d 2231 3231 fbf\" points=\"121\n-00012ac0: 312e 3936 2c2d 3638 312e 3833 2031 3230 1.96,-681.83 120\n-00012ad0: 392e 3238 2c2d 3637 312e 3537 2031 3230 9.28,-671.57 120\n-00012ae0: 342e 3938 2c2d 3638 312e 3236 2031 3231 4.98,-681.26 121\n-00012af0: 312e 3936 2c2d 3638 312e 3833 222f 3e0a 1.96,-681.83\"/>.\n-00012b00: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-00012b10: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973 _src_gromacs_lis\n-00012b20: 7465 645f 666f 7263 6573 2623 3435 3b26 ted_forces-&\n-00012b30: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00012b40: 6f6d 6163 735f 6770 755f 7574 696c 7320 omacs_gpu_utils \n-00012b50: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-00012b60: 3233 2220 636c 6173 733d 2265 6467 6522 23\" class=\"edge\"\n-00012b70: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00012b80: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n-00012b90: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n-00012ba0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00012bb0: 6d61 6373 5f67 7075 5f75 7469 6c73 3c2f macs_gpu_utils</\n-00012bc0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00012bd0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00012be0: 2272 6564 2220 643d 224d 3931 382e 3938 \"red\" d=\"M918.98\n-00012bf0: 2c2d 3135 372e 3843 3736 392e 3531 2c2d ,-157.8C769.51,-\n-00012c00: 3136 352e 3036 2033 3430 2e38 2c2d 3230 165.06 340.8,-20\n-00012c10: 342e 3720 3431 322c 2d34 3230 2e30 3920 4.7 412,-420.09 \n-00012c20: 3432 382e 3338 2c2d 3436 392e 3635 2035 428.38,-469.65 5\n-00012c30: 3038 2e33 332c 2d35 3830 2e31 2035 3532 08.33,-580.1 552\n-00012c40: 2c2d 3630 382e 3720 3632 342e 3334 2c2d ,-608.7 624.34,-\n-00012c50: 3635 362e 3038 2038 3831 2e34 372c 2d36 656.08 881.47,-6\n-00012c60: 3937 2e39 3220 3938 372e 3135 2c2d 3731 97.92 987.15,-71\n-00012c70: 332e 3532 222f 3e0a 3c70 6f6c 7967 6f6e 3.52\"/>.<polygon\n-00012c80: 2066 696c 6c3d 2272 6564 2220 7374 726f fill=\"red\" stro\n-00012c90: 6b65 3d22 7265 6422 2070 6f69 6e74 733d ke=\"red\" points=\n-00012ca0: 2239 3836 2e37 392c 2d37 3137 2039 3937 \"986.79,-717 997\n-00012cb0: 2e31 392c 2d37 3134 2e39 3920 3938 372e .19,-714.99 987.\n-00012cc0: 382c 2d37 3130 2e30 3820 3938 362e 3739 8,-710.08 986.79\n-00012cd0: 2c2d 3731 3722 2f3e 0a3c 2f67 3e0a 3c21 ,-717\"/>.</g>.<!\n-00012ce0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-00012cf0: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n-00012d00: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n-00012d10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n-00012d20: 6f6d 6465 6320 2d2d 3e0a 3c67 2069 643d omdec -->.<g id=\n-00012d30: 2265 6467 6531 3231 2220 636c 6173 733d \"edge121\" class=\n-00012d40: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-00012d50: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00012d60: 735f 6c69 7374 6564 5f66 6f72 6365 7326 s_listed_forces&\n-00012d70: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00012d80: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-00012d90: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820 c......m\n-00012f80: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00012f90: 735f 6c69 7374 6564 5f66 6f72 6365 7326 s_listed_forces&\n-00012fa0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00012fb0: 7263 5f67 726f 6d61 6373 5f68 6172 6477 rc_gromacs_hardw\n-00012fc0: 6172 653c 2f74 6974 6c65 3e0a 3c70 6174 are......modu\n-000131f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n-00013200: 6973 7465 645f 666f 7263 6573 2623 3435 isted_forces-\n-00013210: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00013220: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib</t\n-00013230: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00013240: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00013250: 2362 6662 6662 6622 2064 3d22 4d39 3539 #bfbfbf\" d=\"M959\n-00013260: 2e36 372c 2d31 3638 2e34 3943 3934 382e .67,-168.49C948.\n-00013270: 3937 2c2d 3137 372e 3832 2039 3332 2e32 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635f ;>module_src_\n-00013530: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n-00013540: 6c69 7479 202d 2d3e 0a3c 6720 6964 3d22 lity -->.<g id=\"\n-00013550: 6564 6765 3132 3222 2063 6c61 7373 3d22 edge122\" class=\"\n-00013560: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-00013570: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00013580: 5f6c 6973 7465 645f 666f 7263 6573 2623 _listed_forces&#\n-00013590: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000135a0: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n-000135b0: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n-000135c0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-000135d0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-000135e0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-000135f0: 6179 3d22 352c 3222 2064 3d22 4d39 3139 ay=\"5,2\" d=\"M919\n-00013600: 2e37 2c2d 3135 382e 3631 4338 3139 2e35 .7,-158.61C819.5\n-00013610: 372c 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6564 c_gromacs_listed\n-00013b30: 5f66 6f72 6365 7326 2334 353b 2667 743b _forces->\n-00013b40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00013b50: 6373 5f6d 6474 7970 6573 202d 2d3e 0a3c cs_mdtypes -->.<\n-00013b60: 6720 6964 3d22 6564 6765 3132 3022 2063 g id=\"edge120\" c\n-00013b70: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-00013b80: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00013b90: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n-00013ba0: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n-00013bb0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00013bc0: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n-00013bd0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n-00013d40: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modul\n-00013db0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00013dc0: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n-00013dd0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f69 le_src_gromacs_i\n-00013de0: 6d64 3c2f 7469 746c 653e 0a3c 7061 7468 md...\n-00013ee0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...m\n-00013f50: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00013f60: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n-00013f70: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00013f80: 6373 5f6f 7074 696f 6e73 3c2f 7469 746c cs_options</titl\n-00013f90: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00013fa0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-00013fb0: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-00013fc0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-00013fd0: 4d31 3032 392e 3939 2c2d 3435 392e 3934 M1029.99,-459.94\n-00013fe0: 4339 3838 2e33 332c 2d34 3434 2e30 3720 C988.33,-444.07 \n-00013ff0: 3839 342e 3738 2c2d 3431 302e 3220 3831 894.78,-410.2 81\n-00014000: 332c 2d33 3933 2e32 3220 3636 312e 3034 3,-393.22 661.04\n-00014010: 2c2d 3336 312e 3637 2034 3736 2e35 322c ,-361.67 476.52,\n-00014020: 2d33 3530 2e32 2033 3933 2e38 312c 2d33 -350.2 393.81,-3\n-00014030: 3436 2e34 3422 2f3e 0a3c 706f 6c79 676f 46.44\"/>.<polygo\n-00014040: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n-00014050: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00014060: 2220 706f 696e 7473 3d22 3339 332e 3931 \" points=\"393.91\n-00014070: 2c2d 3334 322e 3934 2033 3833 2e37 362c ,-342.94 383.76,\n-00014080: 2d33 3435 2e39 3920 3339 332e 362c 2d33 -345.99 393.6,-3\n-00014090: 3439 2e39 3320 3339 332e 3931 2c2d 3334 49.93 393.91,-34\n-000140a0: 322e 3934 222f 3e0a 3c2f 673e 0a3c 212d 2.94\"/>.</g>.<!-\n-000140b0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-000140c0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n-000140d0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000140e0: 6f6d 6163 735f 6770 755f 7574 696c 7320 omacs_gpu_utils \n-000140f0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g 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edge142\" class=\"\n-000147c0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-000147d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000147e0: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n-000147f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00014800: 735f 6861 7264 7761 7265 3c2f 7469 746c s_hardware</titl\n-00014810: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00014820: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-00014830: 6266 6266 2220 643d 224d 3130 3438 2e31 bfbf\" d=\"M1048.1\n-00014840: 362c 2d34 3833 2e31 3243 3130 3334 2e32 6,-483.12C1034.2\n-00014850: 382c 2d35 3238 2e38 3220 3938 372e 3235 8,-528.82 987.25\n-00014860: 2c2d 3638 342e 3436 2039 3834 2c2d 3730 ,-684.46 984,-70\n-00014870: 372e 3537 2039 3832 2e33 342c 2d37 3139 7.57 982.34,-719\n-00014880: 2e34 2039 3736 2e31 362c 2d37 3235 2e34 .4 976.16,-725.4\n-00014890: 3320 3938 342c 2d37 3334 2e34 3420 3130 3 984,-734.44 10\n-000148a0: 3033 2e31 382c 2d37 3536 2e35 2031 3139 03.18,-756.5 119\n-000148b0: 302e 3039 2c2d 3737 322e 3836 2031 3238 0.09,-772.86 128\n-000148c0: 302e 352c 2d37 3739 2e35 3522 2f3e 0a3c 0.5,-779.55\"/>.<\n-000148d0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-000148e0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-000148f0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-00014900: 3132 3830 2e32 382c 2d37 3833 2e30 3520 1280.28,-783.05 \n-00014910: 3132 3930 2e35 312c 2d37 3830 2e32 3820 1290.51,-780.28 \n-00014920: 3132 3830 2e37 392c 2d37 3736 2e30 3620 1280.79,-776.06 \n-00014930: 3132 3830 2e32 382c 2d37 3833 2e30 3522 1280.28,-783.05\"\n-00014940: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-00014950: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00014960: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n-00014970: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00014980: 5f61 7070 6c69 6564 5f66 6f72 6365 7320 _applied_forces \n-00014990: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-000149a0: 3530 2220 636c 6173 733d 2265 6467 6522 50\" class=\"edge\"\n-000149b0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-000149c0: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n-000149d0: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n-000149e0: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n-000149f0: 6c69 6564 5f66 6f72 6365 733c 2f74 6974 lied_forces</tit\n-00014a00: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00014a10: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n-00014a20: 6422 2064 3d22 4d31 3032 322e 3836 2c2d d\" d=\"M1022.86,-\n-00014a30: 3436 342e 3438 4339 3531 2e30 372c 2d34 464.48C951.07,-4\n-00014a40: 3534 2e35 3320 3736 342e 3732 2c2d 3432 54.53 764.72,-42\n-00014a50: 382e 3639 2036 3730 2e30 332c 2d34 3135 8.69 670.03,-415\n-00014a60: 2e35 3622 2f3e 0a3c 706f 6c79 676f 6e20 .56\"/>.<polygon \n-00014a70: 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726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n-000150f0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00015100: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n-00015110: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70 dline..<\n-000151e0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-000151f0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-00015200: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-00015210: 3132 3130 2e31 332c 2d39 3633 2e31 3220 1210.13,-963.12 \n-00015220: 3132 3230 2e37 312c 2d39 3632 2e35 3620 1220.71,-962.56 \n-00015230: 3132 3132 2e30 392c 2d39 3536 2e34 2031 1212.09,-956.4 1\n-00015240: 3231 302e 3133 2c2d 3936 332e 3132 222f 210.13,-963.12\"/\n-00015250: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >..\n-000152a0: 0a3c 6720 6964 3d22 6564 6765 3132 3822 ..<\n-000152c0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-000152d0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n-000152e0: 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6e73 2623 3435 3b26 6774 3b6d ctions->m\n-000174b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000174c0: 735f 6666 743c 2f74 6974 6c65 3e0a 3c70 s_fft....\n-00017670: 0a3c 6720 6964 3d22 6564 6765 3135 3222 ..<\n-00017690: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-000176a0: 5f67 726f 6d61 6373 5f63 6f72 7265 6c61 _gromacs_correla\n-000176b0: 7469 6f6e 6675 6e63 7469 6f6e 7326 2334 tionfunctions\n-000176c0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000176d0: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64 _gromacs_command\n-000176e0: 6c69 6e65 3c2f 7469 746c 653e 0a3c 7061 line....\n-000177d0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f \n-000179e0: 0a3c 6720 6964 3d22 6564 6765 3135 3522 ..<\n-00017a00: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00017a10: 5f67 726f 6d61 6373 5f6d 6174 6826 2334 _gromacs_math\n-00017a20: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00017a30: 5f67 726f 6d61 6373 5f6d 6473 7061 6e3c 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1646.91,-\n-000191d0: 3130 3232 2e36 3120 3137 3339 2c2d 3938 1022.61 1739,-98\n-000191e0: 352e 3932 2031 3739 362e 3033 2c2d 3936 5.92 1796.03,-96\n-000191f0: 332e 3220 3138 3130 2e30 342c 2d39 3535 3.2 1810.04,-955\n-00019200: 2e37 3620 3138 3632 2c2d 3932 332e 3035 .76 1862,-923.05\n-00019210: 2031 3934 302e 3033 2c2d 3837 332e 3933 1940.03,-873.93\n-00019220: 2031 3936 392e 372c 2d38 3639 2e35 3420 1969.7,-869.54 \n-00019230: 3230 3237 2c2d 3739 372e 3331 2032 3135 2027,-797.31 215\n-00019240: 352e 3631 2c2d 3633 352e 3139 2032 3137 5.61,-635.19 217\n-00019250: 322e 3432 2c2d 3536 342e 3035 2032 3137 2.42,-564.05 217\n-00019260: 392c 2d33 3537 2e32 3220 3231 3831 2e31 9,-357.22 2181.1\n-00019270: 362c 2d32 3839 2e34 3320 3231 3939 2e36 6,-289.43 2199.6\n-00019280: 392c 2d32 3639 2e35 3220 3231 3830 2c2d 9,-269.52 2180,-\n-00019290: 3230 342e 3631 2032 3132 352e 3137 2c2d 204.61 2125.17,-\n-000192a0: 3233 2e38 3420 3139 3631 2e39 332c 2d39 23.84 1961.93,-9\n-000192b0: 372e 3937 2031 3737 342c 2d37 382e 3837 7.97 1774,-78.87\n-000192c0: 2031 3437 342e 3537 2c2d 3438 2e34 3320 1474.57,-48.43 \n-000192d0: 3530 382e 3939 2c2d 3334 2032 3836 2e31 508.99,-34 286.1\n-000192e0: 372c 2d33 312e 3032 222f 3e0a 3c70 6f6c 7,-31.02\"/>.<pol\n-000192f0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n-00019300: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n-00019310: 6663 6322 2070 6f69 6e74 733d 2232 3836 fcc\" points=\"286\n-00019320: 2e31 382c 2d32 372e 3532 2032 3736 2e31 .18,-27.52 276.1\n-00019330: 332c 2d33 302e 3839 2032 3836 2e30 382c 3,-30.89 286.08,\n-00019340: 2d33 342e 3532 2032 3836 2e31 382c 2d32 -34.52 286.18,-2\n-00019350: 372e 3532 222f 3e0a 3c2f 673e 0a3c 212d 7.52\"/>.</g>.<!-\n-00019360: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-00019370: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n-00019380: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00019390: 726f 6d61 6373 5f66 696c 6569 6f20 2d2d romacs_fileio --\n-000193a0: 3e0a 3c67 2069 643d 2265 6467 6531 3631 >.<g id=\"edge161\n-000193b0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-000193c0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-000193d0: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n-000193e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000193f0: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n-00019400: 696f 3c2f 7469 746c 653e 0a3c 7061 7468 io..\n-00019560: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n-000195d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000195e0: 6373 5f67 6d78 616e 6126 2334 353b 2667 cs_gmxana-&g\n-000195f0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00019600: 6d61 6373 5f67 6d78 6c69 623c 2f74 6974 macs_gmxlib</tit\n-00019610: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00019620: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n-00019630: 6662 6662 6622 2064 3d22 4d31 3035 302e fbfbf\" d=\"M1050.\n-00019640: 3834 2c2d 3130 3935 2e39 3443 3131 3533 84,-1095.94C1153\n-00019650: 2e32 342c 2d31 3039 312e 3233 2031 3436 .24,-1091.23 146\n-00019660: 302e 3939 2c2d 3130 3730 2e35 3220 3136 0.99,-1070.52 16\n-00019670: 3939 2c2d 3938 352e 3932 2031 3833 382e 99,-985.92 1838.\n-00019680: 332c 2d39 3336 2e34 3120 3138 3735 2e37 3,-936.41 1875.7\n-00019690: 322c 2d39 3038 2e36 3420 3139 3733 2c2d 2,-908.64 1973,-\n-000196a0: 3739 372e 3331 2031 3939 352e 3935 2c2d 797.31 1995.95,-\n-000196b0: 3737 312e 3034 2032 3030 312e 3339 2c2d 771.04 2001.39,-\n-000196c0: 3736 332e 3935 2032 3032 302c 2d37 3334 763.95 2020,-734\n-000196d0: 2e34 3420 3231 3137 2e37 372c 2d35 3739 .44 2117.77,-579\n-000196e0: 2e34 3220 3231 3535 2c2d 3532 382e 3036 .42 2155,-528.06\n-000196f0: 2032 3135 352c 2d33 3434 2e37 3920 3231 2155,-344.79 21\n-00019700: 3535 2c2d 3334 342e 3739 2032 3135 352c 55,-344.79 2155,\n-00019710: 2d33 3434 2e37 3920 3231 3535 2c2d 3231 -344.79 2155,-21\n-00019720: 372e 3035 2032 3135 352c 2d31 3731 2e30 7.05 2155,-171.0\n-00019730: 3520 3231 3234 2e38 392c 2d31 3632 2e38 5 2124.89,-162.8\n-00019740: 3220 3230 3834 2c2d 3134 312e 3734 2032 2 2084,-141.74 2\n-00019750: 3033 302e 3736 2c2d 3131 342e 3239 2031 030.76,-114.29 1\n-00019760: 3835 352e 3338 2c2d 3130 302e 3538 2031 855.38,-100.58 1\n-00019770: 3737 342e 3531 2c2d 3935 2e35 3822 2f3e 774.51,-95.58\"/>\n-00019780: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-00019790: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n-000197a0: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n-000197b0: 3d22 3137 3734 2e34 2c2d 3932 2e30 3720 =\"1774.4,-92.07 \n-000197c0: 3137 3634 2e32 312c 2d39 342e 3936 2031 1764.21,-94.96 1\n-000197d0: 3737 332e 3938 2c2d 3939 2e30 3620 3137 773.98,-99.06 17\n-000197e0: 3734 2e34 2c2d 3932 2e30 3722 2f3e 0a3c 74.4,-92.07\"/>.<\n-000197f0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-00019800: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n-00019810: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c na->modul\n-00019820: 655f 7372 635f 6772 6f6d 6163 735f 7374 e_src_gromacs_st\n-00019830: 6174 6973 7469 6373 202d 2d3e 0a3c 6720 atistics -->.<g \n-00019840: 6964 3d22 6564 6765 3136 3722 2063 6c61 id=\"edge167\" cla\n-00019850: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-00019860: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00019870: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n-00019880: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00019890: 726f 6d61 6373 5f73 7461 7469 7374 6963 romacs_statistic\n-000198a0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s....\n-000199d0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module\n-00019a40: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-00019a50: 616e 6126 2334 353b 2667 743b 6d6f 6475 ana->modu\n-00019a60: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72 le_src_gromacs_r\n-00019a70: 616e 646f 6d3c 2f74 6974 6c65 3e0a 3c70 andom......module_src_gro\n-00019cd0: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n-00019ce0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00019cf0: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f romacs_mdtypes...\n-00019e40: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modul\n-00019ec0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-00019ed0: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64 xana->mod\n-00019ee0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00019ef0: 6170 706c 6965 645f 666f 7263 6573 5f61 applied_forces_a\n-00019f00: 7768 3c2f 7469 746c 653e 0a3c 7061 7468 wh.\n-0001a040: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n-0001a0b0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module\n-0001a130: 5f73 7263 5f67 726f 6d61 6373 5f74 6173 _src_gromacs_tas\n-0001a140: 6b61 7373 6967 6e6d 656e 7426 2334 353b kassignment-\n-0001a150: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001a160: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n-0001a170: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......mo\n-0001a310: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001a320: 5f74 6173 6b61 7373 6967 6e6d 656e 7426 _taskassignment&\n-0001a330: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001a340: 7263 5f67 726f 6d61 6373 5f65 7761 6c64 rc_gromacs_ewald\n-0001a350: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_\n-0001a4e0: 7372 635f 6772 6f6d 6163 735f 7461 736b src_gromacs_task\n-0001a4f0: 6173 7369 676e 6d65 6e74 2623 3435 3b26 assignment-&\n-0001a500: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001a510: 6f6d 6163 735f 646f 6d64 6563 3c2f 7469 omacs_domdec</ti\n-0001a520: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0001a530: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0001a540: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-0001a550: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-0001a560: 3d22 4d31 3234 352e 3334 2c2d 3335 372e =\"M1245.34,-357.\n-0001a570: 3236 4331 3235 312e 3136 2c2d 3338 382e 26C1251.16,-388.\n-0001a580: 3238 2031 3236 362e 3334 2c2d 3436 392e 28 1266.34,-469.\n-0001a590: 3231 2031 3237 332e 3737 2c2d 3530 382e 21 1273.77,-508.\n-0001a5a0: 3835 222f 3e0a 3c70 6f6c 7967 6f6e 2066 85\"/>.<polygon f\n-0001a5b0: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n-0001a5c0: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n-0001a5d0: 6f69 6e74 733d 2231 3237 302e 3337 2c2d oints=\"1270.37,-\n-0001a5e0: 3530 392e 3638 2031 3237 352e 3635 2c2d 509.68 1275.65,-\n-0001a5f0: 3531 382e 3836 2031 3237 372e 3235 2c2d 518.86 1277.25,-\n-0001a600: 3530 382e 3339 2031 3237 302e 3337 2c2d 508.39 1270.37,-\n-0001a610: 3530 392e 3638 222f 3e0a 3c2f 673e 0a3c 509.68\"/>.</g>.<\n-0001a620: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001a630: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n-0001a640: 6e6d 656e 7426 2334 353b 2667 743b 6d6f nment->mo\n-0001a650: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001a660: 5f68 6172 6477 6172 6520 2d2d 3e0a 3c67 _hardware -->.<g\n-0001a670: 2069 643d 2265 6467 6531 3734 2220 636c id=\"edge174\" cl\n-0001a680: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-0001a690: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-0001a6a0: 6f6d 6163 735f 7461 736b 6173 7369 676e omacs_taskassign\n-0001a6b0: 6d65 6e74 2623 3435 3b26 6774 3b6d 6f64 ment->mod\n-0001a6c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001a6d0: 6861 7264 7761 7265 3c2f 7469 746c 653e hardware\n-0001a6e0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n-0001a7a0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....modul\n-0001a890: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n-0001a8a0: 736b 6173 7369 676e 6d65 6e74 2623 3435 skassignment-\n-0001a8b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001a8c0: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib</t\n-0001a8d0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0001a8e0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0001a8f0: 2362 6662 6662 6622 2064 3d22 4d31 3139 #bfbfbf\" d=\"M119\n-0001a900: 352e 3038 2c2d 3333 352e 3338 4331 3131 5.08,-335.38C111\n-0001a910: 352e 3333 2c2d 3332 332e 3036 2039 3537 5.33,-323.06 957\n-0001a920: 2e30 382c 2d32 3938 2e36 3120 3838 352e .08,-298.61 885.\n-0001a930: 3538 2c2d 3238 372e 3537 222f 3e0a 3c70 58,-287.57\"/>.<p\n-0001a940: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n-0001a950: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n-0001a960: 6662 6662 6622 2070 6f69 6e74 733d 2238 fbfbf\" points=\"8\n-0001a970: 3836 2e31 2c2d 3238 342e 3131 2038 3735 86.1,-284.11 875\n-0001a980: 2e36 382c 2d32 3836 2e30 3420 3838 352e .68,-286.04 885.\n-0001a990: 3033 2c2d 3239 312e 3032 2038 3836 2e31 03,-291.02 886.1\n-0001a9a0: 2c2d 3238 342e 3131 222f 3e0a 3c2f 673e 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7461 736b 6173 c_gromacs_taskas\n-0001ac80: 7369 676e 6d65 6e74 2623 3435 3b26 6774 signment->\n-0001ac90: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001aca0: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n-0001acb0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s....\n-0001ade0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_gro\n-0001ae60: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n-0001ae70: 656e 7426 2334 353b 2667 743b 6d6f 6475 ent->modu\n-0001ae80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-0001ae90: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib.\n-0001af30: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n-0001afa0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_gro\n-0001b030: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n-0001b040: 656e 7426 2334 353b 2667 743b 6d6f 6475 ent->modu\n-0001b050: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-0001b060: 7373 656e 7469 616c 6479 6e61 6d69 6373 ssentialdynamics\n-0001b070: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....\n-0001b1c0: 0a3c 6720 6964 3d22 6564 6765 3137 3722 ..<\n-0001b1e0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001b1f0: 5f67 726f 6d61 6373 5f74 6173 6b61 7373 _gromacs_taskass\n-0001b200: 6967 6e6d 656e 7426 2334 353b 2667 743b ignment->\n-0001b210: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001b220: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes......module_src_gro\n-0001b3c0: 6d61 6373 5f74 696d 696e 673c 2f74 6974 macs_timing..timing\n-0001b490: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_grom\n-0001b510: 6163 735f 7469 6d69 6e67 2623 3435 3b26 acs_timing-&\n-0001b520: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001b530: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes..<\n-0001b5b0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-0001b5c0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-0001b5d0: 6266 6266 6266 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2e32 83,-827.5 1908.2\n+00011a40: 2c2d 3831 332e 3333 2031 3933 312e 3536 ,-813.33 1931.56\n+00011a50: 2c2d 3739 372e 3331 2031 3934 362e 3332 ,-797.31 1946.32\n+00011a60: 2c2d 3738 372e 3139 2031 3934 352e 3339 ,-787.19 1945.39\n+00011a70: 2c2d 3737 382e 3133 2031 3936 312e 3536 ,-778.13 1961.56\n+00011a80: 2c2d 3737 302e 3434 2032 3035 332e 3831 ,-770.44 2053.81\n+00011a90: 2c2d 3732 362e 3538 2032 3130 332e 3937 ,-726.58 2103.97\n+00011aa0: 2c2d 3739 312e 3731 2032 3138 382e 3536 ,-791.71 2188.56\n+00011ab0: 2c2d 3733 342e 3434 2032 3234 322e 3434 ,-734.44 2242.44\n+00011ac0: 2c2d 3639 372e 3936 2032 3234 362e 3237 ,-697.96 2246.27\n+00011ad0: 2c2d 3637 312e 3433 2032 3236 332e 3536 ,-671.43 2263.56\n+00011ae0: 2c2d 3630 382e 3720 3232 3734 2e31 362c ,-608.7 2274.16,\n+00011af0: 2d35 3730 2e32 3520 3232 3831 2e37 382c -570.25 2281.78,\n+00011b00: 2d35 3534 2e34 3420 3232 3633 2e35 362c -554.44 2263.56,\n+00011b10: 2d35 3138 2e39 3620 3232 3239 2e30 382c -518.96 2229.08,\n+00011b20: 2d34 3531 2e38 3520 3231 3636 2e34 362c -451.85 2166.46,\n+00011b30: 2d34 3833 2e34 3920 3231 3235 2e35 362c -483.49 2125.56,\n+00011b40: 2d34 3230 2e30 3920 3231 3135 2e34 2c2d -420.09 2115.4,-\n+00011b50: 3430 342e 3334 2032 3131 312e 3838 2c2d 404.34 2111.88,-\n+00011b60: 3338 332e 3139 2032 3131 302e 3736 2c2d 383.19 2110.76,-\n+00011b70: 3336 372e 3331 222f 3e0a 3c70 6f6c 7967 367.31\"/>.<polyg\n+00011b80: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n+00011b90: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+00011ba0: 6622 2070 6f69 6e74 733d 2232 3131 342e f\" points=\"2114.\n+00011bb0: 3236 2c2d 3336 372e 3133 2032 3131 302e 26,-367.13 2110.\n+00011bc0: 3333 2c2d 3335 372e 3239 2032 3130 372e 33,-357.29 2107.\n+00011bd0: 3237 2c2d 3336 372e 3433 2032 3131 342e 27,-367.43 2114.\n+00011be0: 3236 2c2d 3336 372e 3133 222f 3e0a 3c2f 26,-367.13\"/>.</\n+00011bf0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00011c00: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n+00011c10: 6126 2334 353b 2667 743b 6d6f 6475 6c65 a->module\n+00011c20: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973 _src_gromacs_lis\n+00011c30: 7465 645f 666f 7263 6573 202d 2d3e 0a3c ted_forces -->.<\n+00011c40: 6720 6964 3d22 6564 6765 3130 3922 2063 g id=\"edge109\" c\n+00011c50: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00011c60: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00011c70: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n+00011c80: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00011c90: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n+00011ca0: 666f 7263 6573 3c2f 7469 746c 653e 0a3c forces.<\n+00011cb0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00011cc0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00011cd0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00011ce0: 6179 3d22 352c 3222 2064 3d22 4d31 3830 ay=\"5,2\" d=\"M180\n+00011cf0: 312e 3231 2c2d 3834 352e 3331 4331 3638 1.21,-845.31C168\n+00011d00: 322e 3737 2c2d 3834 332e 3520 3132 3839 2.77,-843.5 1289\n+00011d10: 2e32 342c 2d38 3334 2e38 3920 3936 362e .24,-834.89 966.\n+00011d20: 3536 2c2d 3739 372e 3331 2039 3436 2e37 56,-797.31 946.7\n+00011d30: 372c 2d37 3935 2e30 3120 3632 382e 3435 7,-795.01 628.45\n+00011d40: 2c2d 3734 372e 3638 2036 3133 2e35 362c ,-747.68 613.56,\n+00011d50: 2d37 3334 2e34 3420 3539 312e 3735 2c2d -734.44 591.75,-\n+00011d60: 3731 352e 3034 2036 3032 2e35 392c 2d36 715.04 602.59,-6\n+00011d70: 3939 2e36 3320 3539 342e 3536 2c2d 3637 99.63 594.56,-67\n+00011d80: 312e 3537 2035 3638 2e30 342c 2d35 3738 1.57 568.04,-578\n+00011d90: 2e39 3320 3535 302e 3138 2c2d 3535 302e .93 550.18,-550.\n+00011da0: 3237 2035 3730 2e35 362c 2d34 3536 2e30 27 570.56,-456.0\n+00011db0: 3920 3538 332e 3338 2c2d 3339 362e 3832 9 583.38,-396.82\n+00011dc0: 2035 3737 2e30 362c 2d33 3639 2e32 3820 577.06,-369.28 \n+00011dd0: 3632 332e 3536 2c2d 3333 302e 3335 2036 623.56,-330.35 6\n+00011de0: 3631 2e31 382c 2d32 3938 2e38 3620 3731 61.18,-298.86 71\n+00011df0: 362e 3235 2c2d 3238 372e 3332 2037 3538 6.25,-287.32 758\n+00011e00: 2e34 342c 2d32 3833 2e33 3422 2f3e 0a3c .44,-283.34\"/>.<\n+00011e10: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00011e20: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00011e30: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00011e40: 3735 382e 3932 2c2d 3238 362e 3831 2037 758.92,-286.81 7\n+00011e50: 3638 2e36 2c2d 3238 322e 3520 3735 382e 68.6,-282.5 758.\n+00011e60: 3334 2c2d 3237 392e 3833 2037 3538 2e39 34,-279.83 758.9\n+00011e70: 322c 2d32 3836 2e38 3122 2f3e 0a3c 2f67 2,-286.81\"/>....mod\n+00011ed0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00011ee0: 7374 6174 6973 7469 6373 3c2f 7469 746c statistics</titl\n+00011ef0: 653e 0a3c 656c 6c69 7073 6520 6669 6c6c e>.<ellipse fill\n+00011f00: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+00011f10: 653d 2262 6c61 636b 2220 6378 3d22 3230 e=\"black\" cx=\"20\n+00011f20: 3835 2e35 3622 2063 793d 222d 3738 332e 85.56\" cy=\"-783.\n+00011f30: 3838 2220 7278 3d22 3339 2e37 2220 7279 88\" rx=\"39.7\" ry\n+00011f40: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874 =\"13.37\"/>.<text\n+00011f50: 2074 6578 742d 616e 6368 6f72 3d22 6d69 text-anchor=\"mi\n+00011f60: 6464 6c65 2220 783d 2232 3038 352e 3536 ddle\" x=\"2085.56\n+00011f70: 2220 793d 222d 3738 312e 3338 2220 666f \" y=\"-781.38\" fo\n+00011f80: 6e74 2d66 616d 696c 793d 2246 7265 6553 nt-family=\"FreeS\n+00011f90: 616e 7322 2066 6f6e 742d 7369 7a65 3d22 ans\" font-size=\"\n+00011fa0: 3130 2e30 3022 3e73 7461 7469 7374 6963 10.00\">statistic\n+00011fb0: 733c 2f74 6578 743e 0a3c 2f67 3e0a 3c21 s</text>.</g>.<!\n+00011fc0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+00011fd0: 6f6d 6163 735f 676d 7861 6e61 2623 3435 omacs_gmxana-\n+00011fe0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00011ff0: 6772 6f6d 6163 735f 7374 6174 6973 7469 gromacs_statisti\n+00012000: 6373 202d 2d3e 0a3c 6720 6964 3d22 6564 cs -->.<g id=\"ed\n+00012010: 6765 3131 3022 2063 6c61 7373 3d22 6564 ge110\" class=\"ed\n+00012020: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00012030: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00012040: 6d78 616e 6126 2334 353b 2667 743b 6d6f mxana->mo\n+00012050: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00012060: 5f73 7461 7469 7374 6963 733c 2f74 6974 _statistics</tit\n+00012070: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00012080: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00012090: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+000120a0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+000120b0: 224d 3138 3635 2e31 322c 2d38 3338 2e37 \"M1865.12,-838.7\n+000120c0: 3643 3139 3039 2e32 322c 2d38 3237 2e39 6C1909.22,-827.9\n+000120d0: 3820 3139 3934 2e30 372c 2d38 3037 2e32 8 1994.07,-807.2\n+000120e0: 3420 3230 3434 2e36 362c 2d37 3934 2e38 4 2044.66,-794.8\n+000120f0: 3722 2f3e 0a3c 706f 6c79 676f 6e20 6669 7\"/>.<polygon fi\n+00012100: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n+00012110: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n+00012120: 696e 7473 3d22 3230 3435 2e37 332c 2d37 ints=\"2045.73,-7\n+00012130: 3938 2e32 3220 3230 3534 2e36 312c 2d37 98.22 2054.61,-7\n+00012140: 3932 2e34 3420 3230 3434 2e30 362c 2d37 92.44 2044.06,-7\n+00012150: 3931 2e34 3220 3230 3435 2e37 332c 2d37 91.42 2045.73,-7\n+00012160: 3938 2e32 3222 2f3e 0a3c 2f67 3e0a 3c21 98.22\"/>.</g>.<!\n+00012170: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+00012180: 6f6d 6163 735f 6d64 7370 616e 202d 2d3e omacs_mdspan -->\n+00012190: 0a3c 6720 6964 3d22 6e6f 6465 3334 2220 .<g id=\"node34\" \n+000121a0: 636c 6173 733d 226e 6f64 6522 3e0a 3c74 class=\"node\">.<t\n+000121b0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+000121c0: 6772 6f6d 6163 735f 6d64 7370 616e 3c2f gromacs_mdspan</\n+000121d0: 7469 746c 653e 0a3c 656c 6c69 7073 6520 title>.<ellipse \n+000121e0: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n+000121f0: 7472 6f6b 653d 2262 6c61 636b 2220 6378 troke=\"black\" cx\n+00012200: 3d22 3233 3936 2e35 3622 2063 793d 222d =\"2396.56\" cy=\"-\n+00012210: 3135 352e 3138 2220 7278 3d22 3336 2e31 155.18\" rx=\"36.1\n+00012220: 3222 2072 793d 2231 332e 3337 222f 3e0a 2\" ry=\"13.37\"/>.\n+00012230: 3c74 6578 7420 7465 7874 2d61 6e63 686f <text text-ancho\n+00012240: 723d 226d 6964 646c 6522 2078 3d22 3233 r=\"middle\" x=\"23\n+00012250: 3936 2e35 3622 2079 3d22 2d31 3532 2e36 96.56\" y=\"-152.6\n+00012260: 3822 2066 6f6e 742d 6661 6d69 6c79 3d22 8\" font-family=\"\n+00012270: 4672 6565 5361 6e73 2220 666f 6e74 2d73 FreeSans\" font-s\n+00012280: 697a 653d 2231 302e 3030 223e 6d64 7370 ize=\"10.00\">mdsp\n+00012290: 616e 3c2f 7465 7874 3e0a 3c2f 673e 0a3c an</text>.</g>.<\n+000122a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000122b0: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n+000122c0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000122d0: 5f67 726f 6d61 6373 5f6d 6473 7061 6e20 _gromacs_mdspan \n+000122e0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+000122f0: 3135 2220 636c 6173 733d 2265 6467 6522 15\" class=\"edge\"\n+00012300: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00012310: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n+00012320: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c na->modul\n+00012330: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00012340: 7370 616e 3c2f 7469 746c 653e 0a3c 7061 span...<\n+00012530: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mo\n+000125a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000125b0: 5f67 6d78 616e 6126 2334 353b 2667 743b _gmxana->\n+000125c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000125d0: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65 cs_gmxlib</title\n+000125e0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+000125f0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00012600: 6662 6622 2064 3d22 4d31 3834 302e 3135 fbf\" d=\"M1840.15\n+00012610: 2c2d 3833 332e 3137 4331 3834 352e 3536 ,-833.17C1845.56\n+00012620: 2c2d 3831 362e 3436 2031 3835 372e 3336 ,-816.46 1857.36\n+00012630: 2c2d 3738 372e 3132 2031 3837 372e 3536 ,-787.12 1877.56\n+00012640: 2c2d 3737 302e 3434 2031 3931 382e 322c ,-770.44 1918.2,\n+00012650: 2d37 3336 2e38 3820 3139 3432 2e31 382c -736.88 1942.18,\n+00012660: 2d37 3535 2e33 3620 3139 3930 2e35 362c -755.36 1990.56,\n+00012670: 2d37 3334 2e34 3420 3230 3433 2e33 312c -734.44 2043.31,\n+00012680: 2d37 3131 2e36 3320 3230 3734 2e34 332c -711.63 2074.43,\n+00012690: 2d37 3231 2e31 3120 3231 3033 2e35 362c -721.11 2103.56,\n+000126a0: 2d36 3731 2e35 3720 3231 3039 2e36 312c -671.57 2109.61,\n+000126b0: 2d36 3631 2e32 3820 3231 3036 2e34 332c -661.28 2106.43,\n+000126c0: 2d36 3536 2e32 3920 3231 3033 2e35 362c -656.29 2103.56,\n+000126d0: 2d36 3434 2e37 2032 3038 392e 3235 2c2d -644.7 2089.25,-\n+000126e0: 3538 362e 3839 2031 3937 382e 3536 2c2d 586.89 1978.56,-\n+000126f0: 3436 372e 3231 2031 3937 382e 3536 2c2d 467.21 1978.56,-\n+00012700: 3430 372e 3636 2031 3937 382e 3536 2c2d 407.66 1978.56,-\n+00012710: 3430 372e 3636 2031 3937 382e 3536 2c2d 407.66 1978.56,-\n+00012720: 3430 372e 3636 2031 3937 382e 3536 2c2d 407.66 1978.56,-\n+00012730: 3237 392e 3932 2031 3937 382e 3536 2c2d 279.92 1978.56,-\n+00012740: 3234 352e 3739 2031 3938 392e 3234 2c2d 245.79 1989.24,-\n+00012750: 3232 372e 3039 2031 3936 332e 3536 2c2d 227.09 1963.56,-\n+00012760: 3230 342e 3631 2031 3930 392e 3735 2c2d 204.61 1909.75,-\n+00012770: 3135 372e 3520 3134 3031 2e35 332c 2d31 157.5 1401.53,-1\n+00012780: 3535 2e34 3820 3132 3530 2c2d 3135 352e 55.48 1250,-155.\n+00012790: 3934 222f 3e0a 3c70 6f6c 7967 6f6e 2066 94\"/>.<polygon f\n+000127a0: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+000127b0: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n+000127c0: 6f69 6e74 733d 2231 3234 392e 3731 2c2d oints=\"1249.71,-\n+000127d0: 3135 322e 3434 2031 3233 392e 3732 2c2d 152.44 1239.72,-\n+000127e0: 3135 352e 3937 2031 3234 392e 3733 2c2d 155.97 1249.73,-\n+000127f0: 3135 392e 3434 2031 3234 392e 3731 2c2d 159.44 1249.71,-\n+00012800: 3135 322e 3434 222f 3e0a 3c2f 673e 0a3c 152.44\"/>.</g>.<\n+00012810: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00012820: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n+00012830: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00012840: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64 _gromacs_command\n+00012850: 6c69 6e65 202d 2d3e 0a3c 6720 6964 3d22 line -->.<g id=\"\n+00012860: 6564 6765 3130 3422 2063 6c61 7373 3d22 edge104\" class=\"\n+00012870: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00012880: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00012890: 5f67 6d78 616e 6126 2334 353b 2667 743b _gmxana->\n+000128a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000128b0: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f cs_commandline</\n+000128c0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+000128d0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+000128e0: 2262 6c61 636b 2220 7374 726f 6b65 2d64 \"black\" stroke-d\n+000128f0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+00012900: 3d22 4d31 3836 312e 3537 2c2d 3833 372e =\"M1861.57,-837.\n+00012910: 3137 4331 3838 382e 3737 2c2d 3832 372e 17C1888.77,-827.\n+00012920: 3735 2031 3933 332e 3436 2c2d 3831 322e 75 1933.46,-812.\n+00012930: 3031 2031 3937 312e 3536 2c2d 3739 372e 01 1971.56,-797.\n+00012940: 3331 2032 3030 302e 3732 2c2d 3738 362e 31 2000.72,-786.\n+00012950: 3036 2032 3030 362e 3138 2c2d 3737 372e 06 2006.18,-777.\n+00012960: 3820 3230 3336 2e35 362c 2d37 3730 2e34 8 2036.56,-770.4\n+00012970: 3420 3231 3239 2e37 352c 2d37 3437 2e38 4 2129.75,-747.8\n+00012980: 3620 3233 3839 2e39 322c 2d37 3932 2e30 6 2389.92,-792.0\n+00012990: 3820 3234 3636 2e35 362c 2d37 3334 2e34 8 2466.56,-734.4\n+000129a0: 3420 3235 3731 2e39 322c 2d36 3535 2e32 4 2571.92,-655.2\n+000129b0: 2032 3534 332e 3131 2c2d 3232 352e 3831 2543.11,-225.81\n+000129c0: 2032 3434 312e 3536 2c2d 3134 312e 3734 2441.56,-141.74\n+000129d0: 2032 3431 302e 3135 2c2d 3131 352e 3734 2410.15,-115.74\n+000129e0: 2032 3330 302e 3235 2c2d 3130 322e 3838 2300.25,-102.88\n+000129f0: 2032 3233 302e 3432 2c2d 3937 2e32 222f 2230.42,-97.2\"/\n+00012a00: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+00012a10: 2262 6c61 636b 2220 7374 726f 6b65 3d22 \"black\" stroke=\"\n+00012a20: 626c 6163 6b22 2070 6f69 6e74 733d 2232 black\" points=\"2\n+00012a30: 3233 302e 3636 2c2d 3933 2e37 3120 3232 230.66,-93.71 22\n+00012a40: 3230 2e34 322c 2d39 362e 3431 2032 3233 20.42,-96.41 223\n+00012a50: 302e 3131 2c2d 3130 302e 3639 2032 3233 0.11,-100.69 223\n+00012a60: 302e 3636 2c2d 3933 2e37 3122 2f3e 0a3c 0.66,-93.71\"/>.<\n+00012a70: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+00012a80: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n+00012a90: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c na->modul\n+00012aa0: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n+00012ab0: 6c65 696f 202d 2d3e 0a3c 6720 6964 3d22 leio -->.<g id=\"\n+00012ac0: 6564 6765 3130 3522 2063 6c61 7373 3d22 edge105\" class=\"\n+00012ad0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00012ae0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00012af0: 5f67 6d78 616e 6126 2334 353b 2667 743b _gmxana->\n+00012b00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00012b10: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio</title\n+00012b20: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00012b30: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00012b40: 6662 6622 2064 3d22 4d31 3833 322e 3433 fbf\" d=\"M1832.43\n+00012b50: 2c2d 3833 322e 3937 4331 3832 352e 3636 ,-832.97C1825.66\n+00012b60: 2c2d 3831 322e 3032 2031 3831 322e 3131 ,-812.02 1812.11\n+00012b70: 2c2d 3737 302e 3131 2031 3830 332e 3734 ,-770.11 1803.74\n+00012b80: 2c2d 3734 342e 3232 222f 3e0a 3c70 6f6c ,-744.22\"/>.<pol\n+00012b90: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n+00012ba0: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n+00012bb0: 6662 6622 2070 6f69 6e74 733d 2231 3830 fbf\" points=\"180\n+00012bc0: 372e 3031 2c2d 3734 322e 3937 2031 3830 7.01,-742.97 180\n+00012bd0: 302e 3631 2c2d 3733 342e 3533 2031 3830 0.61,-734.53 180\n+00012be0: 302e 3335 2c2d 3734 352e 3132 2031 3830 0.35,-745.12 180\n+00012bf0: 372e 3031 2c2d 3734 322e 3937 222f 3e0a 7.01,-742.97\"/>.\n+00012c00: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00012c10: 5f73 7263 5f67 726f 6d61 6373 5f63 6f72 _src_gromacs_cor\n+00012c20: 7265 6c61 7469 6f6e 6675 6e63 7469 6f6e relationfunction\n+00012c30: 7320 2d2d 3e0a 3c67 2069 643d 226e 6f64 s -->.<g id=\"nod\n+00012c40: 6534 3822 2063 6c61 7373 3d22 6e6f 6465 e48\" class=\"node\n+00012c50: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00012c60: 5f73 7263 5f67 726f 6d61 6373 5f63 6f72 _src_gromacs_cor\n+00012c70: 7265 6c61 7469 6f6e 6675 6e63 7469 6f6e relationfunction\n+00012c80: 733c 2f74 6974 6c65 3e0a 3c67 2069 643d s...\n+00012d60: 3c74 6578 7420 7465 7874 2d61 6e63 686f corr\n+00012dc0: 656c 6174 696f 6e66 756e 6374 696f 6e73 elationfunctions\n+00012dd0: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67 ......m\n+00012e60: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00012e70: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n+00012e80: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00012e90: 6163 735f 636f 7272 656c 6174 696f 6e66 acs_correlationf\n+00012ea0: 756e 6374 696f 6e73 3c2f 7469 746c 653e unctions\n+00012eb0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_grom\n+00013030: 6163 735f 676d 7861 6e61 2623 3435 3b26 acs_gmxana-&\n+00013040: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00013050: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n+00013060: 7263 6573 5f61 7768 3c2f 7469 746c 653e rces_awh\n+00013070: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..<\n+00013150: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00013160: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00013170: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00013180: 3230 3632 2e38 372c 2d34 3235 2e33 3820 2062.87,-425.38 \n+00013190: 3230 3534 2e30 332c 2d34 3139 2e35 3420 2054.03,-419.54 \n+000131a0: 3230 3537 2e33 2c2d 3432 392e 3632 2032 2057.3,-429.62 2\n+000131b0: 3036 322e 3837 2c2d 3432 352e 3338 222f 062.87,-425.38\"/\n+000131c0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >....module_src_gro\n+00013220: 6d61 6373 5f6f 6e6c 696e 6568 656c 703c macs_onlinehelp<\n+00013230: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261 /title>.\n+000132a0: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..onlinehelp...\n+00013370: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...\n+000133e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000133f0: 6373 5f70 756c 6c69 6e67 2623 3435 3b26 cs_pulling-&\n+00013400: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00013410: 6f6d 6163 735f 646f 6d64 6563 3c2f 7469 omacs_domdec</ti\n+00013420: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00013430: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00013440: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n+00013450: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+00013460: 3d22 4d31 3037 342e 3038 2c2d 3630 382e =\"M1074.08,-608.\n+00013470: 3734 4331 3036 322e 392c 2d36 3339 2e38 74C1062.9,-639.8\n+00013480: 3920 3130 3333 2e36 342c 2d37 3231 2e33 9 1033.64,-721.3\n+00013490: 3820 3130 3139 2e34 372c 2d37 3630 2e38 8 1019.47,-760.8\n+000134a0: 3422 2f3e 0a3c 706f 6c79 676f 6e20 6669 4\"/>.<polygon fi\n+000134b0: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n+000134c0: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n+000134d0: 696e 7473 3d22 3130 3136 2e31 352c 2d37 ints=\"1016.15,-7\n+000134e0: 3539 2e37 3520 3130 3136 2e30 362c 2d37 59.75 1016.06,-7\n+000134f0: 3730 2e33 3420 3130 3232 2e37 332c 2d37 70.34 1022.73,-7\n+00013500: 3632 2e31 3120 3130 3136 2e31 352c 2d37 62.11 1016.15,-7\n+00013510: 3539 2e37 3522 2f3e 0a3c 2f67 3e0a 3c21 59.75\"/>.</g>.<!\n+00013520: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+00013530: 6f6d 6163 735f 7075 6c6c 696e 6726 2334 omacs_pulling\n+00013540: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00013550: 5f67 726f 6d61 6373 5f6d 646c 6962 202d _gromacs_mdlib -\n+00013560: 2d3e 0a3c 6720 6964 3d22 6564 6765 3132 ->.<g id=\"edge12\n+00013570: 3222 2063 6c61 7373 3d22 6564 6765 223e 2\" class=\"edge\">\n+00013580: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00013590: 7263 5f67 726f 6d61 6373 5f70 756c 6c69 rc_gromacs_pulli\n+000135a0: 6e67 2623 3435 3b26 6774 3b6d 6f64 756c ng->modul\n+000135b0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+000135c0: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib......module\n+00013720: 5f73 7263 5f67 726f 6d61 6373 5f70 756c _src_gromacs_pul\n+00013730: 6c69 6e67 2623 3435 3b26 6774 3b6d 6f64 ling->mod\n+00013740: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00013750: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n+00013760: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n+00013840: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modu\n+000138b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n+000138c0: 756c 6c69 6e67 2623 3435 3b26 6774 3b6d ulling->m\n+000138d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000138e0: 735f 676d 786c 6962 3c2f 7469 746c 653e s_gmxlib\n+000138f0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gro\n+00013ab0: 6d61 6373 5f70 756c 6c69 6e67 2623 3435 macs_pulling-\n+00013ac0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00013ad0: 6772 6f6d 6163 735f 636f 6d6d 616e 646c gromacs_commandl\n+00013ae0: 696e 653c 2f74 6974 6c65 3e0a 3c70 6174 ine.....<\n+00013c80: 6720 6964 3d22 6564 6765 3132 3322 2063 g id=\"edge123\" c\n+00013c90: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00013cb0: 726f 6d61 6373 5f70 756c 6c69 6e67 2623 romacs_pulling&#\n+00013cc0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00013cd0: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n+00013ce0: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n+00013cf0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00013d00: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00013d10: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00013d20: 6179 3d22 352c 3222 2064 3d22 4d31 3039 ay=\"5,2\" d=\"M109\n+00013d30: 392e 3235 2c2d 3538 352e 3243 3131 3435 9.25,-585.2C1145\n+00013d40: 2e32 362c 2d35 3633 2e38 3520 3132 3536 .26,-563.85 1256\n+00013d50: 2e30 372c 2d35 3035 2e37 2031 3330 372e .07,-505.7 1307.\n+00013d60: 3536 2c2d 3432 302e 3039 2031 3334 322e 56,-420.09 1342.\n+00013d70: 3938 2c2d 3336 312e 3139 2031 3239 352e 98,-361.19 1295.\n+00013d80: 3038 2c2d 3332 352e 3039 2031 3333 322e 08,-325.09 1332.\n+00013d90: 3536 2c2d 3236 372e 3438 2031 3334 312e 56,-267.48 1341.\n+00013da0: 392c 2d32 3533 2e31 3220 3133 3537 2e31 9,-253.12 1357.1\n+00013db0: 352c 2d32 3432 2e30 3820 3133 3731 2e33 5,-242.08 1371.3\n+00013dc0: 392c 2d32 3334 2e31 3922 2f3e 0a3c 706f 9,-234.19\"/>.\n+00013e40: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_grom\n+00013ec0: 6163 735f 7075 6c6c 696e 6726 2334 353b acs_pulling-\n+00013ed0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00013ee0: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74 romacs_fileio..\n+00013f90: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....modul\n+00014080: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n+00014090: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n+000140a0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000140b0: 6772 6f6d 6163 735f 646f 6d64 6563 3c2f gromacs_domdec</\n+000140c0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+000140d0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+000140e0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+000140f0: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+00014100: 2064 3d22 4d31 3134 322e 352c 2d38 3335 d=\"M1142.5,-835\n+00014110: 4331 3131 352e 3331 2c2d 3832 342e 3539 C1115.31,-824.59\n+00014120: 2031 3037 342e 3034 2c2d 3830 382e 3739 1074.04,-808.79\n+00014130: 2031 3034 352e 3132 2c2d 3739 372e 3732 1045.12,-797.72\n+00014140: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+00014150: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n+00014160: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n+00014170: 6e74 733d 2231 3034 362e 3034 2c2d 3739 nts=\"1046.04,-79\n+00014180: 342e 3333 2031 3033 352e 3435 2c2d 3739 4.33 1035.45,-79\n+00014190: 342e 3032 2031 3034 332e 3534 2c2d 3830 4.02 1043.54,-80\n+000141a0: 302e 3836 2031 3034 362e 3034 2c2d 3739 0.86 1046.04,-79\n+000141b0: 342e 3333 222f 3e0a 3c2f 673e 0a3c 212d 4.33\"/>.</g>.<!-\n+000141c0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+000141d0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n+000141e0: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n+000141f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00014200: 646c 6962 202d 2d3e 0a3c 6720 6964 3d22 dlib -->.<g id=\"\n+00014210: 6564 6765 3132 3922 2063 6c61 7373 3d22 edge129\" class=\"\n+00014220: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00014230: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00014240: 5f61 7070 6c69 6564 5f66 6f72 6365 7326 _applied_forces&\n+00014250: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00014260: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+00014270: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....\n+00014480: 0a3c 6720 6964 3d22 6564 6765 3133 3422 ..<\n+000144a0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000144b0: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n+000144c0: 5f66 6f72 6365 7326 2334 353b 2667 743b _forces->\n+000144d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000144e0: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n+000144f0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_gr\n+00014670: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n+00014680: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n+00014690: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000146a0: 6577 616c 643c 2f74 6974 6c65 3e0a 3c70 ewald.\n+00014780: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n+000147f0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_\n+00014870: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n+00014880: 6965 645f 666f 7263 6573 2623 3435 3b26 ied_forces-&\n+00014890: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000148a0: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes</t\n+000148b0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+000148c0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+000148d0: 2362 6662 6662 6622 2064 3d22 4d31 3138 #bfbfbf\" d=\"M118\n+000148e0: 312e 3338 2c2d 3833 332e 3237 4331 3139 1.38,-833.27C119\n+000148f0: 372e 3737 2c2d 3831 342e 3534 2031 3232 7.77,-814.54 122\n+00014900: 382e 3339 2c2d 3738 302e 3239 2031 3234 8.39,-780.29 124\n+00014910: 312e 3536 2c2d 3737 302e 3434 2031 3236 1.56,-770.44 126\n+00014920: 392e 3839 2c2d 3734 392e 3235 2031 3238 9.89,-749.25 128\n+00014930: 362e 3335 2c2d 3735 382e 3231 2031 3331 6.35,-758.21 131\n+00014940: 322e 3536 2c2d 3733 342e 3434 2031 3333 2.56,-734.44 133\n+00014950: 372e 3039 2c2d 3731 322e 3139 2031 3333 7.09,-712.19 133\n+00014960: 352e 3532 2c2d 3639 392e 3937 2031 3335 5.52,-699.97 135\n+00014970: 322e 3536 2c2d 3637 312e 3537 2031 3336 2.56,-671.57 136\n+00014980: 352e 3635 2c2d 3634 392e 3735 2031 3430 5.65,-649.75 140\n+00014990: 302e 3437 2c2d 3538 372e 3435 2031 3431 0.47,-587.45 141\n+000149a0: 382e 3834 2c2d 3535 342e 3437 222f 3e0a 8.84,-554.47\"/>.\n+000149b0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+000149c0: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n+000149d0: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n+000149e0: 2231 3432 312e 3936 2c2d 3535 362e 3037 \"1421.96,-556.07\n+000149f0: 2031 3432 332e 3736 2c2d 3534 352e 3633 1423.76,-545.63\n+00014a00: 2031 3431 352e 3834 2c2d 3535 322e 3636 1415.84,-552.66\n+00014a10: 2031 3432 312e 3936 2c2d 3535 362e 3037 1421.96,-556.07\n+00014a20: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+00014a30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00014a40: 5f61 7070 6c69 6564 5f66 6f72 6365 7326 _applied_forces&\n+00014a50: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00014a60: 7263 5f67 726f 6d61 6373 5f72 616e 646f rc_gromacs_rando\n+00014a70: 6d20 2d2d 3e0a 3c67 2069 643d 2265 6467 m -->.<g id=\"edg\n+00014a80: 6531 3335 2220 636c 6173 733d 2265 6467 e135\" class=\"edg\n+00014a90: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00014aa0: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n+00014ab0: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n+00014ac0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00014ad0: 6772 6f6d 6163 735f 7261 6e64 6f6d 3c2f gromacs_random</\n+00014ae0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00014af0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00014b00: 2262 6c61 636b 2220 7374 726f 6b65 2d64 \"black\" stroke-d\n+00014b10: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+00014b20: 3d22 4d31 3231 362e 3031 2c2d 3833 382e =\"M1216.01,-838.\n+00014b30: 3535 4331 3232 392e 3037 2c2d 3833 362e 55C1229.07,-836.\n+00014b40: 3635 2031 3234 332e 3336 2c2d 3833 342e 65 1243.36,-834.\n+00014b50: 3734 2031 3235 362e 3536 2c2d 3833 332e 74 1256.56,-833.\n+00014b60: 3331 2031 3437 382e 3037 2c2d 3830 392e 31 1478.07,-809.\n+00014b70: 3335 2031 3534 342e 3035 2c2d 3836 342e 35 1544.05,-864.\n+00014b80: 3233 2031 3735 362e 3536 2c2d 3739 372e 23 1756.56,-797.\n+00014b90: 3331 2031 3737 382e 3738 2c2d 3739 302e 31 1778.78,-790.\n+00014ba0: 3331 2031 3737 392e 3531 2c2d 3737 372e 31 1779.51,-777.\n+00014bb0: 3936 2031 3830 312e 3536 2c2d 3737 302e 96 1801.56,-770.\n+00014bc0: 3434 2031 3932 392e 3531 2c2d 3732 362e 44 1929.51,-726.\n+00014bd0: 3833 2031 3939 352e 3835 2c2d 3831 362e 83 1995.85,-816.\n+00014be0: 3132 2032 3130 332e 3536 2c2d 3733 342e 12 2103.56,-734.\n+00014bf0: 3434 2032 3232 372e 3034 2c2d 3634 302e 44 2227.04,-640.\n+00014c00: 3820 3232 3536 2e34 2c2d 3433 352e 3534 8 2256.4,-435.54\n+00014c10: 2032 3236 322e 3836 2c2d 3336 372e 3333 2262.86,-367.33\n+00014c20: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+00014c30: 6c3d 2262 6c61 636b 2220 7374 726f 6b65 l=\"black\" stroke\n+00014c40: 3d22 626c 6163 6b22 2070 6f69 6e74 733d =\"black\" points=\n+00014c50: 2232 3236 362e 3335 2c2d 3336 372e 3532 \"2266.35,-367.52\n+00014c60: 2032 3236 332e 3734 2c2d 3335 372e 3235 2263.74,-357.25\n+00014c70: 2032 3235 392e 3338 2c2d 3336 362e 3931 2259.38,-366.91\n+00014c80: 2032 3236 362e 3335 2c2d 3336 372e 3532 2266.35,-367.52\n+00014c90: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+00014ca0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00014cb0: 5f61 7070 6c69 6564 5f66 6f72 6365 7326 _applied_forces&\n+00014cc0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00014cd0: 7263 5f67 726f 6d61 6373 5f6f 7074 696f rc_gromacs_optio\n+00014ce0: 6e73 202d 2d3e 0a3c 6720 6964 3d22 6564 ns -->.<g id=\"ed\n+00014cf0: 6765 3132 3722 2063 6c61 7373 3d22 6564 ge127\" class=\"ed\n+00014d00: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00014d10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+00014d20: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n+00014d30: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00014d40: 5f67 726f 6d61 6373 5f6f 7074 696f 6e73 _gromacs_options\n+00014d50: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...<\n+00014f60: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.\n+00014fb0: 0a3c 6720 6964 3d22 6564 6765 3133 3222 ..<\n+00014fd0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00014fe0: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n+00014ff0: 5f66 6f72 6365 7326 2334 353b 2667 743b _forces->\n+00015000: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00015010: 6373 5f6d 6473 7061 6e3c 2f74 6974 6c65 cs_mdspan...\n+00015260: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mod\n+00015610: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00015620: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n+00015630: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00015640: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n+00015650: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70 dline....<\n+00015840: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00015850: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+00015860: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n+00015870: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00015880: 5f6d 6472 756e 7574 696c 6974 7920 2d2d _mdrunutility --\n+00015890: 3e0a 3c67 2069 643d 2265 6467 6531 3330 >..\n+000158b0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+000158c0: 635f 6772 6f6d 6163 735f 6170 706c 6965 c_gromacs_applie\n+000158d0: 645f 666f 7263 6573 2623 3435 3b26 6774 d_forces->\n+000158e0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000158f0: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n+00015900: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n+00015ac0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gr\n+00015b40: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n+00015b50: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n+00015b60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00015b70: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c fileio.<\n+00015b80: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00015b90: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00015ba0: 2220 643d 224d 3131 3939 2e39 2c2d 3833 \" d=\"M1199.9,-83\n+00015bb0: 352e 3233 4331 3234 362e 3335 2c2d 3831 5.23C1246.35,-81\n+00015bc0: 382e 3939 2031 3333 392e 3931 2c2d 3738 8.99 1339.91,-78\n+00015bd0: 372e 3834 2031 3432 312e 3536 2c2d 3737 7.84 1421.56,-77\n+00015be0: 302e 3434 2031 3534 342e 3036 2c2d 3734 0.44 1544.06,-74\n+00015bf0: 342e 3334 2031 3639 322e 3236 2c2d 3733 4.34 1692.26,-73\n+00015c00: 302e 3234 2031 3735 392e 3831 2c2d 3732 0.24 1759.81,-72\n+00015c10: 342e 3735 222f 3e0a 3c70 6f6c 7967 6f6e 4.75\"/>..\n+00015c90: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..<\n+00015ce0: 6720 6964 3d22 6564 6765 3134 3122 2063 g id=\"edge141\" c\n+00015cf0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00015d10: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n+00015d20: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n+00015d30: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00015d40: 6373 5f6d 6472 756e 3c2f 7469 746c 653e cs_mdrun\n+00015d50: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......mo\n+00015ef0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00015f00: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n+00015f10: 7226 2334 353b 2667 743b 6d6f 6475 6c65 r->module\n+00015f20: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n+00015f30: 6465 633c 2f74 6974 6c65 3e0a 3c70 6174 dec......mod\n+00016080: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00016090: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n+000160a0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000160b0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+000160c0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b...<\n+000161f0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...m\n+00016420: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00016430: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n+00016440: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n+00016450: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00016460: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types......module_src_gro\n+000165f0: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n+00016600: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n+00016610: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016620: 5f72 616e 646f 6d3c 2f74 6974 6c65 3e0a _random.\n+00016630: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_gro\n+000167d0: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n+000167e0: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n+000167f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016800: 5f70 756c 6c69 6e67 3c2f 7469 746c 653e _pulling\n+00016810: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n+00016900: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module\n+00016980: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64 _src_gromacs_mod\n+00016990: 756c 6172 7369 6d75 6c61 746f 7226 2334 ularsimulator\n+000169a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000169b0: 5f67 726f 6d61 6373 5f63 6f6d 7061 743c _gromacs_compat<\n+000169c0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+000169d0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+000169e0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+000169f0: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+00016a00: 2220 643d 224d 3930 362e 3731 2c2d 3634 \" d=\"M906.71,-64\n+00016a10: 352e 3433 4339 3736 2e35 362c 2d36 3130 5.43C976.56,-610\n+00016a20: 2e30 3120 3131 3831 2e39 342c 2d35 3035 .01 1181.94,-505\n+00016a30: 2e30 3820 3132 3037 2e35 362c 2d34 3832 .08 1207.56,-482\n+00016a40: 2e39 3620 3132 3235 2e36 2c2d 3436 372e .96 1225.6,-467.\n+00016a50: 3338 2031 3234 312e 3331 2c2d 3434 352e 38 1241.31,-445.\n+00016a60: 3032 2031 3235 312e 3436 2c2d 3432 382e 02 1251.46,-428.\n+00016a70: 3731 222f 3e0a 3c70 6f6c 7967 6f6e 2066 71\"/>.<polygon f\n+00016a80: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n+00016a90: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n+00016aa0: 6f69 6e74 733d 2231 3235 342e 362c 2d34 oints=\"1254.6,-4\n+00016ab0: 3330 2e32 3820 3132 3536 2e37 372c 2d34 30.28 1256.77,-4\n+00016ac0: 3139 2e39 2031 3234 382e 3631 2c2d 3432 19.9 1248.61,-42\n+00016ad0: 362e 3636 2031 3235 342e 362c 2d34 3330 6.66 1254.6,-430\n+00016ae0: 2e32 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d .28\"/>.</g>.<!--\n+00016af0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+00016b00: 6163 735f 6d6f 6475 6c61 7273 696d 756c acs_modularsimul\n+00016b10: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64 ator->mod\n+00016b20: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00016b30: 7461 736b 6173 7369 676e 6d65 6e74 202d taskassignment -\n+00016b40: 2d3e 0a3c 6720 6964 3d22 6564 6765 3135 ->.<g id=\"edge15\n+00016b50: 3122 2063 6c61 7373 3d22 6564 6765 223e 1\" class=\"edge\">\n+00016b60: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00016b70: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c rc_gromacs_modul\n+00016b80: 6172 7369 6d75 6c61 746f 7226 2334 353b arsimulator-\n+00016b90: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00016ba0: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n+00016bb0: 6e6d 656e 743c 2f74 6974 6c65 3e0a 3c70 nment..\n+00016c20: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 ..\n+00016ce0: 0a3c 6720 6964 3d22 6564 6765 3134 3722 ..<\n+00016d00: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00016d10: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n+00016d20: 7369 6d75 6c61 746f 7226 2334 353b 2667 simulator-&g\n+00016d30: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00016d40: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n+00016d50: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es......module_src_gro\n+00016ed0: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n+00016ee0: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n+00016ef0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016f00: 5f67 7075 5f75 7469 6c73 3c2f 7469 746c _gpu_utils......m\n+00017150: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00017160: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n+00017170: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n+00017180: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00017190: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib......m\n+00017320: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00017330: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n+00017340: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n+00017350: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n+00017360: 6e78 6d3c 2f74 6974 6c65 3e0a 3c70 6174 nxm.....<\n+00017590: 6720 6964 3d22 6564 6765 3134 3222 2063 g id=\"edge142\" c\n+000175a0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+000175c0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n+000175d0: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n+000175e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000175f0: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f cs_commandline...<\n+000177a0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mo\n+00017820: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00017830: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n+00017840: 7226 2334 353b 2667 743b 6d6f 6475 6c65 r->module\n+00017850: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+00017860: 756e 7574 696c 6974 793c 2f74 6974 6c65 unutility</title\n+00017870: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00017880: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+00017890: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+000178a0: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+000178b0: 3839 312e 3533 2c2d 3634 342e 3433 4338 891.53,-644.43C8\n+000178c0: 3937 2e36 322c 2d36 3334 2e36 3920 3930 97.62,-634.69 90\n+000178d0: 362e 3139 2c2d 3632 302e 3839 2039 3133 6.19,-620.89 913\n+000178e0: 2e35 362c 2d36 3038 2e37 2039 3337 2e35 .56,-608.7 937.5\n+000178f0: 332c 2d35 3639 2e30 3720 3933 372c 2d35 3,-569.07 937,-5\n+00017900: 3534 2e36 3220 3936 362e 3536 2c2d 3531 54.62 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2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00017a00: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273 gromacs_modulars\n+00017a10: 696d 756c 6174 6f72 2623 3435 3b26 6774 imulator->\n+00017a20: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00017a30: 6163 735f 6669 6c65 696f 202d 2d3e 0a3c acs_fileio -->.<\n+00017a40: 6720 6964 3d22 6564 6765 3134 3922 2063 g id=\"edge149\" c\n+00017a50: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00017a60: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00017a70: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n+00017a80: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n+00017a90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00017aa0: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio</title\n+00017ab0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00017ac0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00017ad0: 6662 6622 2064 3d22 4d39 3434 2e33 2c2d fbf\" d=\"M944.3,-\n+00017ae0: 3636 322e 3935 4331 3131 392e 3036 2c2d 662.95C1119.06,-\n+00017af0: 3637 342e 3320 3136 3139 2e31 392c 2d37 674.3 1619.19,-7\n+00017b00: 3037 2e36 3620 3137 3539 2e35 382c 2d37 07.66 1759.58,-7\n+00017b10: 3137 2e33 3422 2f3e 0a3c 706f 6c79 676f 17.34\"/>.<polygo\n+00017b20: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+00017b30: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00017b40: 2220 706f 696e 7473 3d22 3137 3539 2e35 \" points=\"1759.5\n+00017b50: 392c 2d37 3230 2e38 3520 3137 3639 2e38 9,-720.85 1769.8\n+00017b60: 312c 2d37 3138 2e30 3520 3137 3630 2e30 1,-718.05 1760.0\n+00017b70: 372c 2d37 3133 2e38 3720 3137 3539 2e35 7,-713.87 1759.5\n+00017b80: 392c 2d37 3230 2e38 3522 2f3e 0a3c 2f67 9,-720.85\"/>.</g\n+00017b90: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00017ba0: 635f 6772 6f6d 6163 735f 7265 7374 7261 c_gromacs_restra\n+00017bb0: 696e 7426 2334 353b 2667 743b 6d6f 6475 int->modu\n+00017bc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+00017bd0: 6f6d 6465 6320 2d2d 3e0a 3c67 2069 643d omdec -->.<g id=\n+00017be0: 2265 6467 6531 3532 2220 636c 6173 733d \"edge152\" class=\n+00017bf0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+00017c00: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00017c10: 735f 7265 7374 7261 696e 7426 2334 353b s_restraint-\n+00017c20: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00017c30: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74 romacs_domdec</t\n+00017c40: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00017c50: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00017c60: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00017c70: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00017c80: 643d 224d 3132 3731 2e36 392c 2d38 3339 d=\"M1271.69,-839\n+00017c90: 2e32 3943 3132 3138 2e38 342c 2d38 3238 .29C1218.84,-828\n+00017ca0: 2e32 3320 3131 3131 2e30 342c 2d38 3035 .23 1111.04,-805\n+00017cb0: 2e36 3820 3130 3532 2e31 362c 2d37 3933 .68 1052.16,-793\n+00017cc0: 2e33 3722 2f3e 0a3c 706f 6c79 676f 6e20 .37\"/>.<polygon \n+00017cd0: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+00017ce0: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+00017cf0: 706f 696e 7473 3d22 3130 3532 2e36 312c points=\"1052.61,\n+00017d00: 2d37 3839 2e38 3920 3130 3432 2e31 312c -789.89 1042.11,\n+00017d10: 2d37 3931 2e32 3720 3130 3531 2e31 382c -791.27 1051.18,\n+00017d20: 2d37 3936 2e37 3420 3130 3532 2e36 312c -796.74 1052.61,\n+00017d30: 2d37 3839 2e38 3922 2f3e 0a3c 2f67 3e0a -789.89\"/>.</g>.\n+00017d40: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00017d50: 6772 6f6d 6163 735f 7265 7374 7261 696e gromacs_restrain\n+00017d60: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n+00017d70: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+00017d80: 7970 6573 202d 2d3e 0a3c 6720 6964 3d22 ypes -->.<g id=\"\n+00017d90: 6564 6765 3135 3422 2063 6c61 7373 3d22 edge154\" class=\"\n+00017da0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00017db0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00017dc0: 5f72 6573 7472 6169 6e74 2623 3435 3b26 _restraint-&\n+00017dd0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00017de0: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes</t\n+00017df0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00017e00: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00017e10: 2362 6662 6662 6622 2064 3d22 4d31 3239 #bfbfbf\" d=\"M129\n+00017e20: 382e 3232 2c2d 3833 332e 3139 4331 3239 8.22,-833.19C129\n+00017e30: 332e 3438 2c2d 3831 372e 3034 2031 3238 3.48,-817.04 128\n+00017e40: 382e 3233 2c2d 3738 382e 3838 2031 3330 8.23,-788.88 130\n+00017e50: 312e 3536 2c2d 3737 302e 3434 2031 3333 1.56,-770.44 133\n+00017e60: 312e 3435 2c2d 3732 392e 3039 2031 3337 1.45,-729.09 137\n+00017e70: 382e 3636 2c2d 3737 342e 3236 2031 3431 8.66,-774.26 141\n+00017e80: 302e 3536 2c2d 3733 342e 3434 2031 3435 0.56,-734.44 145\n+00017e90: 322e 3335 2c2d 3638 322e 3239 2031 3434 2.35,-682.29 144\n+00017ea0: 332e 3031 2c2d 3539 362e 3420 3134 3335 3.01,-596.4 1435\n+00017eb0: 2e35 2c2d 3535 352e 3838 222f 3e0a 3c70 .5,-555.88\"/>.<p\n+00017ec0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+00017ed0: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+00017ee0: 6662 6662 6622 2070 6f69 6e74 733d 2231 fbfbf\" points=\"1\n+00017ef0: 3433 382e 3931 2c2d 3535 352e 3037 2031 438.91,-555.07 1\n+00017f00: 3433 332e 3533 2c2d 3534 352e 3934 2031 433.53,-545.94 1\n+00017f10: 3433 322e 3034 2c2d 3535 362e 3433 2031 432.04,-556.43 1\n+00017f20: 3433 382e 3931 2c2d 3535 352e 3037 222f 438.91,-555.07\"/\n+00017f30: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00017f40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72 le_src_gromacs_r\n+00017f50: 6573 7472 6169 6e74 2623 3435 3b26 6774 estraint->\n+00017f60: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00017f70: 6163 735f 676d 786c 6962 202d 2d3e 0a3c acs_gmxlib -->.<\n+00017f80: 6720 6964 3d22 6564 6765 3135 3322 2063 g id=\"edge153\" c\n+00017f90: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00017fa0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00017fb0: 726f 6d61 6373 5f72 6573 7472 6169 6e74 romacs_restraint\n+00017fc0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00017fd0: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+00017fe0: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib.\n+00018170: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....<\n+00018230: 6720 6964 3d22 6564 6765 3135 3522 2063 g id=\"edge155\" c\n+00018240: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00018260: 726f 6d61 6373 5f66 6674 2623 3435 3b26 romacs_fft-&\n+00018270: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00018280: 6f6d 6163 735f 6770 755f 7574 696c 733c omacs_gpu_utils<\n+00018290: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.\n+00018340: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n+000183b0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modul\n+00018400: 655f 7372 635f 6772 6f6d 6163 735f 6d61 e_src_gromacs_ma\n+00018410: 7468 3c2f 7469 746c 653e 0a3c 656c 6c69 th.\n+00018470: 0a3c 7465 7874 2074 6578 742d 616e 6368 .mat\n+000184d0: 683c 2f74 6578 743e 0a3c 2f67 3e0a 3c21 h..\n+00018520: 0a3c 6720 6964 3d22 6564 6765 3135 3622 ..<\n+00018540: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00018550: 5f67 726f 6d61 6373 5f6d 6174 6826 2334 _gromacs_math\n+00018560: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00018570: 5f67 726f 6d61 6373 5f6d 6473 7061 6e3c _gromacs_mdspan<\n+00018580: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.\n+000185f0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module\n+000186e0: 5f73 7263 5f67 726f 6d61 6373 5f74 6173 _src_gromacs_tas\n+000186f0: 6b61 7373 6967 6e6d 656e 7426 2334 353b kassignment-\n+00018700: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00018710: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74 romacs_domdec</t\n+00018720: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00018730: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00018740: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00018750: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00018760: 643d 224d 3738 392e 3135 2c2d 3630 382e d=\"M789.15,-608.\n+00018770: 3837 4337 3931 2e31 342c 2d36 3336 2e32 87C791.14,-636.2\n+00018780: 3820 3739 392e 3932 2c2d 3730 312e 3531 8 799.92,-701.51\n+00018790: 2038 3338 2e35 362c 2d37 3334 2e34 3420 838.56,-734.44 \n+000187a0: 3834 332e 3739 2c2d 3733 382e 3920 3932 843.79,-738.9 92\n+000187b0: 332e 3931 2c2d 3736 302e 3220 3937 332e 3.91,-760.2 973.\n+000187c0: 3236 2c2d 3737 332e 3032 222f 3e0a 3c70 26,-773.02\"/>.<p\n+000187d0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n+000187e0: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n+000187f0: 3832 6663 6322 2070 6f69 6e74 733d 2239 82fcc\" points=\"9\n+00018800: 3732 2e34 332c 2d37 3736 2e34 3220 3938 72.43,-776.42 98\n+00018810: 322e 3939 2c2d 3737 352e 3534 2039 3734 2.99,-775.54 974\n+00018820: 2e31 382c 2d37 3639 2e36 3520 3937 322e .18,-769.65 972.\n+00018830: 3433 2c2d 3737 362e 3432 222f 3e0a 3c2f 43,-776.42\"/>.</\n+00018840: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00018850: 7263 5f67 726f 6d61 6373 5f74 6173 6b61 rc_gromacs_taska\n+00018860: 7373 6967 6e6d 656e 7426 2334 353b 2667 ssignment-&g\n+00018870: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00018880: 6d61 6373 5f6d 646c 6962 202d 2d3e 0a3c macs_mdlib -->.<\n+00018890: 6720 6964 3d22 6564 6765 3136 3022 2063 g id=\"edge160\" c\n+000188a0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+000188b0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+000188c0: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n+000188d0: 6e6d 656e 7426 2334 353b 2667 743b 6d6f nment->mo\n+000188e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000188f0: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c _mdlib.<\n+00018900: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00018910: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00018920: 2220 643d 224d 3830 362e 3937 2c2d 3538 \" d=\"M806.97,-58\n+00018930: 322e 3238 4338 3335 2e39 382c 2d35 3633 2.28C835.98,-563\n+00018940: 2e35 3120 3839 312e 3235 2c2d 3532 382e .51 891.25,-528.\n+00018950: 3339 2039 3132 2e35 362c 2d35 3138 2e39 39 912.56,-518.9\n+00018960: 3620 3935 352e 3337 2c2d 3530 302e 3032 6 955.37,-500.02\n+00018970: 2031 3030 372e 3637 2c2d 3438 362e 3034 1007.67,-486.04\n+00018980: 2031 3034 312e 3532 2c2d 3437 382e 3039 1041.52,-478.09\n+00018990: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.....mod\n+00018a80: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00018a90: 7461 736b 6173 7369 676e 6d65 6e74 2623 taskassignment&#\n+00018aa0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00018ab0: 635f 6772 6f6d 6163 735f 6577 616c 643c c_gromacs_ewald<\n+00018ac0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00018ad0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00018ae0: 3d22 2332 3832 6663 6322 2064 3d22 4d37 =\"#282fcc\" d=\"M7\n+00018af0: 3830 2e33 382c 2d35 3831 2e39 3243 3736 80.38,-581.92C76\n+00018b00: 342e 3137 2c2d 3535 372e 3539 2037 3236 4.17,-557.59 726\n+00018b10: 2e37 312c 2d35 3031 2e38 3120 3639 332e .71,-501.81 693.\n+00018b20: 3536 2c2d 3435 362e 3039 2036 3836 2e36 56,-456.09 686.6\n+00018b30: 372c 2d34 3436 2e35 3820 3637 382e 3739 7,-446.58 678.79\n+00018b40: 2c2d 3433 362e 3231 2036 3732 2e30 392c ,-436.21 672.09,\n+00018b50: 2d34 3237 2e35 3222 2f3e 0a3c 706f 6c79 -427.52\"/>.<poly\n+00018b60: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n+00018b70: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n+00018b80: 6363 2220 706f 696e 7473 3d22 3637 342e cc\" points=\"674.\n+00018b90: 3734 2c2d 3432 352e 3233 2036 3635 2e38 74,-425.23 665.8\n+00018ba0: 352c 2d34 3139 2e34 3720 3636 392e 3231 5,-419.47 669.21\n+00018bb0: 2c2d 3432 392e 3532 2036 3734 2e37 342c ,-429.52 674.74,\n+00018bc0: 2d34 3235 2e32 3322 2f3e 0a3c 2f67 3e0a -425.23\"/>.</g>.\n+00018bd0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00018be0: 6772 6f6d 6163 735f 7461 736b 6173 7369 gromacs_taskassi\n+00018bf0: 676e 6d65 6e74 2623 3435 3b26 6774 3b6d gnment->m\n+00018c00: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00018c10: 735f 6d64 7479 7065 7320 2d2d 3e0a 3c67 s_mdtypes -->.<g\n+00018c20: 2069 643d 2265 6467 6531 3631 2220 636c id=\"edge161\" cl\n+00018c30: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00018c40: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00018c50: 6f6d 6163 735f 7461 736b 6173 7369 676e omacs_taskassign\n+00018c60: 6d65 6e74 2623 3435 3b26 6774 3b6d 6f64 ment->mod\n+00018c70: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00018c80: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n+00018c90: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....modul\n+00018df0: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n+00018e00: 736b 6173 7369 676e 6d65 6e74 2623 3435 skassignment-\n+00018e10: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00018e20: 6772 6f6d 6163 735f 6573 7365 6e74 6961 gromacs_essentia\n+00018e30: 6c64 796e 616d 6963 733c 2f74 6974 6c65 ldynamics</title\n+00018e40: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00018e50: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+00018e60: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+00018e70: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+00018e80: 3832 362e 3738 2c2d 3538 342e 3735 4339 826.78,-584.75C9\n+00018e90: 3531 2e35 372c 2d35 3533 2e37 3120 3133 51.57,-553.71 13\n+00018ea0: 3437 2e30 392c 2d34 3535 2e33 2031 3438 47.09,-455.3 148\n+00018eb0: 382e 3035 2c2d 3432 302e 3232 222f 3e0a 8.05,-420.22\"/>.\n+00018ec0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+00018ed0: 3238 3266 6363 2220 7374 726f 6b65 3d22 282fcc\" stroke=\"\n+00018ee0: 2332 3832 6663 6322 2070 6f69 6e74 733d #282fcc\" points=\n+00018ef0: 2231 3438 392e 3239 2c2d 3432 332e 3532 \"1489.29,-423.52\n+00018f00: 2031 3439 382e 3135 2c2d 3431 372e 3731 1498.15,-417.71\n+00018f10: 2031 3438 372e 362c 2d34 3136 2e37 3320 1487.6,-416.73 \n+00018f20: 3134 3839 2e32 392c 2d34 3233 2e35 3222 1489.29,-423.52\"\n+00018f30: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00018f40: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00018f50: 7461 736b 6173 7369 676e 6d65 6e74 2623 taskassignment&#\n+00018f60: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00018f70: 635f 6772 6f6d 6163 735f 6c69 7374 6564 c_gromacs_listed\n+00018f80: 5f66 6f72 6365 7320 2d2d 3e0a 3c67 2069 _forces -->.<g i\n+00018f90: 643d 2265 6467 6531 3539 2220 636c 6173 d=\"edge159\" clas\n+00018fa0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00018fb0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00018fc0: 6163 735f 7461 736b 6173 7369 676e 6d65 acs_taskassignme\n+00018fd0: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c nt->modul\n+00018fe0: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n+00018ff0: 7374 6564 5f66 6f72 6365 733c 2f74 6974 sted_forces</tit\n+00019000: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00019010: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00019020: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+00019030: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00019040: 224d 3738 392e 3831 2c2d 3538 312e 3633 \"M789.81,-581.63\n+00019050: 4337 3934 2e35 332c 2d35 3334 2e31 3420 C794.53,-534.14 \n+00019060: 3831 312e 3233 2c2d 3336 352e 3839 2038 811.23,-365.89 8\n+00019070: 3137 2e33 322c 2d33 3034 2e35 3222 2f3e 17.32,-304.52\"/>\n+00019080: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+00019090: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n+000190a0: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n+000190b0: 3d22 3832 302e 3832 2c2d 3330 342e 3636 =\"820.82,-304.66\n+000190c0: 2038 3138 2e33 322c 2d32 3934 2e33 3620 818.32,-294.36 \n+000190d0: 3831 332e 3835 2c2d 3330 332e 3937 2038 813.85,-303.97 8\n+000190e0: 3230 2e38 322c 2d33 3034 2e36 3622 2f3e 20.82,-304.66\"/>\n+000190f0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00019100: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n+00019110: 736b 6173 7369 676e 6d65 6e74 2623 3435 skassignment-\n+00019120: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00019130: 6772 6f6d 6163 735f 6861 7264 7761 7265 gromacs_hardware\n+00019140: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+00019150: 3136 3422 2063 6c61 7373 3d22 6564 6765 164\" class=\"edge\n+00019160: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00019170: 5f73 7263 5f67 726f 6d61 6373 5f74 6173 _src_gromacs_tas\n+00019180: 6b61 7373 6967 6e6d 656e 7426 2334 353b kassignment-\n+00019190: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000191a0: 726f 6d61 6373 5f68 6172 6477 6172 653c romacs_hardware<\n+000191b0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+000191c0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+000191d0: 3d22 2362 6662 6662 6622 2064 3d22 4d37 =\"#bfbfbf\" d=\"M7\n+000191e0: 3639 2e32 332c 2d35 3832 2e34 3443 3732 69.23,-582.44C72\n+000191f0: 322e 3038 2c2d 3535 322e 3138 2036 3032 2.08,-552.18 602\n+00019200: 2e35 382c 2d34 3636 2e35 3920 3536 382e .58,-466.59 568.\n+00019210: 3536 2c2d 3335 372e 3232 2035 3438 2e34 56,-357.22 548.4\n+00019220: 2c2d 3239 322e 3420 3533 362e 3733 2c2d ,-292.4 536.73,-\n+00019230: 3236 372e 3338 2035 3632 2e35 362c 2d32 267.38 562.56,-2\n+00019240: 3034 2e36 3120 3536 372e 3434 2c2d 3139 04.61 567.44,-19\n+00019250: 322e 3736 2035 3736 2e37 382c 2d31 3832 2.76 576.78,-182\n+00019260: 2e32 3620 3538 352e 3933 2c2d 3137 342e .26 585.93,-174.\n+00019270: 3122 2f3e 0a3c 706f 6c79 676f 6e20 6669 1\"/>.<polygon fi\n+00019280: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+00019290: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n+000192a0: 696e 7473 3d22 3538 382e 3336 2c2d 3137 ints=\"588.36,-17\n+000192b0: 362e 3634 2035 3933 2e38 312c 2d31 3637 6.64 593.81,-167\n+000192c0: 2e35 3620 3538 332e 3838 2c2d 3137 312e .56 583.88,-171.\n+000192d0: 3236 2035 3838 2e33 362c 2d31 3736 2e36 26 588.36,-176.6\n+000192e0: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 4\"/>.</g>.<!-- m\n+000192f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00019300: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n+00019310: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00019320: 7372 635f 6772 6f6d 6163 735f 6770 755f src_gromacs_gpu_\n+00019330: 7574 696c 7320 2d2d 3e0a 3c67 2069 643d utils -->.<g id=\n+00019340: 2265 6467 6531 3636 2220 636c 6173 733d \"edge166\" class=\n+00019350: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+00019360: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00019370: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n+00019380: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00019390: 7372 635f 6772 6f6d 6163 735f 6770 755f src_gromacs_gpu_\n+000193a0: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70 utils.\n+000194b0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n+00019520: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mo\n+00019930: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00019940: 5f61 6e61 6c79 7369 7364 6174 613c 2f74 _analysisdata</t\n+00019950: 6974 6c65 3e0a 3c67 2069 643d 2261 5f6e itle>.<g id=\"a_n\n+00019960: 6f64 6532 3622 3e3c 6120 786c 696e 6b3a ode26\"><a xlink:\n+00019970: 6872 6566 3d22 6772 6f75 705f 5f6d 6f64 href=\"group__mod\n+00019980: 756c 655f 5f61 6e61 6c79 7369 7364 6174 ule__analysisdat\n+00019990: 612e 7868 746d 6c22 2074 6172 6765 743d a.xhtml\" target=\n+000199a0: 225f 746f 7022 2078 6c69 6e6b 3a74 6974 \"_top\" xlink:tit\n+000199b0: 6c65 3d22 616e 616c 7973 6973 6461 7461 le=\"analysisdata\n+000199c0: 223e 0a3c 656c 6c69 7073 6520 6669 6c6c \">.<ellipse fill\n+000199d0: 3d22 2366 6663 6363 6322 2073 7472 6f6b =\"#ffcccc\" strok\n+000199e0: 653d 2262 6c61 636b 2220 6378 3d22 3233 e=\"black\" cx=\"23\n+000199f0: 3639 2e35 3622 2063 793d 222d 3738 332e 69.56\" cy=\"-783.\n+00019a00: 3838 2220 7278 3d22 3530 2e34 3122 2072 88\" rx=\"50.41\" r\n+00019a10: 793d 2231 332e 3337 222f 3e0a 3c74 6578 y=\"13.37\"/>.<tex\n+00019a20: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n+00019a30: 6964 646c 6522 2078 3d22 3233 3639 2e35 iddle\" x=\"2369.5\n+00019a40: 3622 2079 3d22 2d37 3831 2e33 3822 2066 6\" y=\"-781.38\" f\n+00019a50: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565 ont-family=\"Free\n+00019a60: 5361 6e73 2220 666f 6e74 2d73 697a 653d Sans\" font-size=\n+00019a70: 2231 302e 3030 223e 616e 616c 7973 6973 \"10.00\">analysis\n+00019a80: 6461 7461 3c2f 7465 7874 3e0a 3c2f 613e data</text>.</a>\n+00019a90: 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 .</g>.</g>.<!-- \n+00019aa0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00019ab0: 6373 5f61 6e61 6c79 7369 7364 6174 6126 cs_analysisdata&\n+00019ac0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00019ad0: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n+00019ae0: 6f20 2d2d 3e0a 3c67 2069 643d 2265 6467 o -->.<g id=\"edg\n+00019af0: 6531 3637 2220 636c 6173 733d 2265 6467 e167\" class=\"edg\n+00019b00: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00019b10: 655f 7372 635f 6772 6f6d 6163 735f 616e e_src_gromacs_an\n+00019b20: 616c 7973 6973 6461 7461 2623 3435 3b26 alysisdata-&\n+00019b30: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00019b40: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio</ti\n+00019b50: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00019b60: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00019b70: 6266 6266 6266 2220 643d 224d 3233 3333 bfbfbf\" d=\"M2333\n+00019b80: 2e31 372c 2d37 3734 2e35 3343 3233 3235 .17,-774.53C2325\n+00019b90: 2e37 322c 2d37 3733 2e30 3120 3233 3137 .72,-773.01 2317\n+00019ba0: 2e39 312c 2d37 3731 2e35 3620 3233 3130 .91,-771.56 2310\n+00019bb0: 2e35 362c 2d37 3730 2e34 3420 3231 3332 .56,-770.44 2132\n+00019bc0: 2e37 342c 2d37 3433 2e34 3120 3139 3137 .74,-743.41 1917\n+00019bd0: 2e38 372c 2d37 3239 2031 3833 332e 332c .87,-729 1833.3,\n+00019be0: 2d37 3234 2e30 3322 2f3e 0a3c 706f 6c79 -724.03\"/>.<poly\n+00019bf0: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n+00019c00: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n+00019c10: 6266 2220 706f 696e 7473 3d22 3138 3333 bf\" points=\"1833\n+00019c20: 2e33 362c 2d37 3230 2e35 3320 3138 3233 .36,-720.53 1823\n+00019c30: 2e31 372c 2d37 3233 2e34 3420 3138 3332 .17,-723.44 1832\n+00019c40: 2e39 352c 2d37 3237 2e35 3120 3138 3333 .95,-727.51 1833\n+00019c50: 2e33 362c 2d37 3230 2e35 3322 2f3e 0a3c .36,-720.53\"/>.<\n+00019c60: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+00019c70: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n+00019c80: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n+00019c90: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00019ca0: 6d61 6373 5f64 6f6d 6465 6320 2d2d 3e0a macs_domdec -->.\n+00019cb0: 3c67 2069 643d 2265 6467 6531 3732 2220 <g id=\"edge172\" \n+00019cc0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00019cd0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00019ce0: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n+00019cf0: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n+00019d00: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00019d10: 5f64 6f6d 6465 633c 2f74 6974 6c65 3e0a _domdec.\n+00019d20: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....m\n+0001a100: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001a110: 735f 6c69 7374 6564 5f66 6f72 6365 7326 s_listed_forces&\n+0001a120: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001a130: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+0001a140: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es..<\n+0001a210: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n+0001a220: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n+0001a230: 706f 696e 7473 3d22 3134 3139 2e35 362c points=\"1419.56,\n+0001a240: 2d35 3130 2e38 2031 3432 362e 3335 2c2d -510.8 1426.35,-\n+0001a250: 3531 382e 3934 2031 3432 362e 3131 2c2d 518.94 1426.11,-\n+0001a260: 3530 382e 3334 2031 3431 392e 3536 2c2d 508.34 1419.56,-\n+0001a270: 3531 302e 3822 2f3e 0a3c 2f67 3e0a 3c21 510.8\"/>....module_src_grom\n+0001a300: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n+0001a310: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+0001a320: 5f73 7263 5f67 726f 6d61 6373 5f68 6172 _src_gromacs_har\n+0001a330: 6477 6172 653c 2f74 6974 6c65 3e0a 3c70 dware......modu\n+0001a4b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n+0001a4c0: 6973 7465 645f 666f 7263 6573 2623 3435 isted_forces-\n+0001a4d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001a4e0: 6772 6f6d 6163 735f 6770 755f 7574 696c gromacs_gpu_util\n+0001a4f0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......module_\n+0001a640: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n+0001a650: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n+0001a660: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001a670: 6d61 6373 5f67 6d78 6c69 623c 2f74 6974 macs_gmxlib</tit\n+0001a680: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0001a690: 6e6f 6e65 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3136 nts=\"1166.04,-16\n+0001a780: 302e 3436 2031 3137 352e 3838 2c2d 3135 0.46 1175.88,-15\n+0001a790: 362e 3535 2031 3136 352e 3735 2c2d 3135 6.55 1165.75,-15\n+0001a7a0: 332e 3436 2031 3136 362e 3034 2c2d 3136 3.46 1166.04,-16\n+0001a7b0: 302e 3436 222f 3e0a 3c2f 673e 0a3c 212d 0.46\"/>.</g>.<!-\n+0001a7c0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+0001a7d0: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n+0001a7e0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+0001a7f0: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n+0001a800: 6e78 6d20 2d2d 3e0a 3c67 2069 643d 2265 nxm -->.<g id=\"e\n+0001a810: 6467 6531 3736 2220 636c 6173 733d 2265 dge176\" class=\"e\n+0001a820: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+0001a830: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001a840: 6c69 7374 6564 5f66 6f72 6365 7326 2334 listed_forces\n+0001a850: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001a860: 5f67 726f 6d61 6373 5f6e 626e 786d 3c2f _gromacs_nbnxm</\n+0001a870: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001a880: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001a890: 2272 6564 2220 643d 224d 3830 382e 372c \"red\" d=\"M808.7,\n+0001a8a0: 2d32 3934 2e30 3843 3739 372e 3339 2c2d -294.08C797.39,-\n+0001a8b0: 3330 332e 3536 2037 3739 2e37 322c 2d33 303.56 779.72,-3\n+0001a8c0: 3136 2e37 3920 3736 342e 3732 2c2d 3332 16.79 764.72,-32\n+0001a8d0: 372e 3037 222f 3e0a 3c70 6f6c 7967 6f6e 7.07\"/>.<polygon\n+0001a8e0: 2066 696c 6c3d 2272 6564 2220 7374 726f fill=\"red\" stro\n+0001a8f0: 6b65 3d22 7265 6422 2070 6f69 6e74 733d ke=\"red\" points=\n+0001a900: 2237 3632 2e36 332c 2d33 3234 2e32 3620 \"762.63,-324.26 \n+0001a910: 3735 362e 3237 2c2d 3333 322e 3733 2037 756.27,-332.73 7\n+0001a920: 3636 2e35 322c 2d33 3330 2e30 3820 3736 66.52,-330.08 76\n+0001a930: 322e 3633 2c2d 3332 342e 3236 222f 3e0a 2.63,-324.26\"/>.\n+0001a940: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0001a950: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973 _src_gromacs_lis\n+0001a960: 7465 645f 666f 7263 6573 2623 3435 3b26 ted_forces-&\n+0001a970: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001a980: 6f6d 6163 735f 7461 626c 6573 202d 2d3e omacs_tables -->\n+0001a990: 0a3c 6720 6964 3d22 6564 6765 3137 3122 .<g id=\"edge171\"\n+0001a9a0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+0001a9b0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001a9c0: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n+0001a9d0: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n+0001a9e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001a9f0: 735f 7461 626c 6573 3c2f 7469 746c 653e s_tables\n+0001aa00: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n+0001aaf0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modu\n+0001ab70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n+0001ab80: 6973 7465 645f 666f 7263 6573 2623 3435 isted_forces-\n+0001ab90: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001aba0: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n+0001abb0: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity...<\n+0001acb0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_gr\n+0001ad30: 6f6d 6163 735f 6861 7264 7761 7265 2623 omacs_hardware&#\n+0001ad40: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001ad50: 635f 6772 6f6d 6163 735f 6770 755f 7574 c_gromacs_gpu_ut\n+0001ad60: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174 ils...\n+0001ae40: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mod\n+0001ae90: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001aea0: 7062 6375 7469 6c3c 2f74 6974 6c65 3e0a pbcutil.\n+0001aeb0: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .pbcutil...\n+0001afc0: 3c67 2069 643d 2265 6467 6531 3738 2220 .module_src_\n+0001aff0: 6772 6f6d 6163 735f 7062 6375 7469 6c26 gromacs_pbcutil&\n+0001b000: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001b010: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n+0001b020: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061 tils...\n+0001b100: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mo\n+0001b150: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001b160: 5f74 6f70 6f6c 6f67 793c 2f74 6974 6c65 _topology</title\n+0001b170: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d >.<ellipse fill=\n+0001b180: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n+0001b190: 3d22 626c 6163 6b22 2063 783d 2231 3834 =\"black\" cx=\"184\n+0001b1a0: 322e 3536 2220 6379 3d22 2d35 3935 2e32 2.56\" cy=\"-595.2\n+0001b1b0: 3722 2072 783d 2233 372e 3435 2220 7279 7\" rx=\"37.45\" ry\n+0001b1c0: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874 =\"13.37\"/>.<text\n+0001b1d0: 2074 6578 742d 616e 6368 6f72 3d22 6d69 text-anchor=\"mi\n+0001b1e0: 6464 6c65 2220 783d 2231 3834 322e 3536 ddle\" x=\"1842.56\n+0001b1f0: 2220 793d 222d 3539 322e 3737 2220 666f \" y=\"-592.77\" fo\n+0001b200: 6e74 2d66 616d 696c 793d 2246 7265 6553 nt-family=\"FreeS\n+0001b210: 616e 7322 2066 6f6e 742d 7369 7a65 3d22 ans\" font-size=\"\n+0001b220: 3130 2e30 3022 3e74 6f70 6f6c 6f67 793c 10.00\">topology<\n+0001b230: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d /text>.</g>.<!--\n+0001b240: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+0001b250: 6163 735f 746f 706f 6c6f 6779 2623 3435 acs_topology-\n+0001b260: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001b270: 7465 7374 7574 696c 7320 2d2d 3e0a 3c67 testutils -->.<g\n+0001b280: 2069 643d 2265 6467 6531 3830 2220 636c id=\"edge180\" cl\n+0001b290: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0001b2a0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0001b2b0: 6f6d 6163 735f 746f 706f 6c6f 6779 2623 omacs_topology&#\n+0001b2c0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001b2d0: 635f 7465 7374 7574 696c 733c 2f74 6974 c_testutils</tit\n+0001b2e0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0001b2f0: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n+0001b300: 6422 2064 3d22 4d31 3838 302e 3238 2c2d d\" d=\"M1880.28,-\n+0001b310: 3539 342e 3233 4331 3939 362e 3132 2c2d 594.23C1996.12,-\n+0001b320: 3539 332e 3635 2032 3335 362e 3637 2c2d 593.65 2356.67,-\n+0001b330: 3538 382e 3331 2032 3635 312e 3536 2c2d 588.31 2651.56,-\n+0001b340: 3534 352e 3833 2032 3635 362e 3732 2c2d 545.83 2656.72,-\n+0001b350: 3534 352e 3039 2032 3636 322e 3132 2c2d 545.09 2662.12,-\n+0001b360: 3534 342e 3120 3236 3637 2e34 332c 2d35 544.1 2667.43,-5\n+0001b370: 3433 2e30 3122 2f3e 0a3c 706f 6c79 676f 43.01\"/>.<polygo\n+0001b380: 6e20 6669 6c6c 3d22 7265 6422 2073 7472 n fill=\"red\" str\n+0001b390: 6f6b 653d 2272 6564 2220 706f 696e 7473 oke=\"red\" points\n+0001b3a0: 3d22 3236 3638 2e34 312c 2d35 3436 2e33 =\"2668.41,-546.3\n+0001b3b0: 3720 3236 3737 2e34 322c 2d35 3430 2e38 7 2677.42,-540.8\n+0001b3c0: 3120 3236 3636 2e39 2c2d 3533 392e 3534 1 2666.9,-539.54\n+0001b3d0: 2032 3636 382e 3431 2c2d 3534 362e 3337 2668.41,-546.37\n+0001b3e0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+0001b3f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001b400: 5f74 6f70 6f6c 6f67 7926 2334 353b 2667 _topology-&g\n+0001b410: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001b420: 6d61 6373 5f6d 6474 7970 6573 202d 2d3e macs_mdtypes -->\n+0001b430: 0a3c 6720 6964 3d22 6564 6765 3137 3922 .<g id=\"edge179\"\n+0001b440: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+0001b450: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001b460: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67 _gromacs_topolog\n+0001b470: 7926 2334 353b 2667 743b 6d6f 6475 6c65 y->module\n+0001b480: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+0001b490: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes......module\n+0001b5f0: 5f73 7263 5f67 726f 6d61 6373 5f74 7261 _src_gromacs_tra\n+0001b600: 6a65 6374 6f72 7961 6e61 6c79 7369 733c jectoryanalysis<\n+0001b610: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261 /title>.<g id=\"a\n+0001b620: 5f6e 6f64 6533 3222 3e3c 6120 786c 696e _node32\"><a xlin\n+0001b630: 6b3a 6872 6566 3d22 6772 6f75 705f 5f6d k:href=\"group__m\n+0001b640: 6f64 756c 655f 5f74 7261 6a65 6374 6f72 odule__trajector\n+0001b650: 7961 6e61 6c79 7369 732e 7868 746d 6c22 yanalysis.xhtml\"\n+0001b660: 2074 6172 6765 743d 225f 746f 7022 2078 target=\"_top\" x\n+0001b670: 6c69 6e6b 3a74 6974 6c65 3d22 7472 616a link:title=\"traj\n+0001b680: 6563 746f 7279 616e 616c 7973 6973 223e ectoryanalysis\">\n+0001b690: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 .<ellipse fill=\"\n+0001b6a0: 2366 6663 6363 6322 2073 7472 6f6b 653d #ffcccc\" stroke=\n+0001b6b0: 2262 6c61 636b 2220 6378 3d22 3232 3232 \"black\" cx=\"2222\n+0001b6c0: 2e35 3622 2063 793d 222d 3834 362e 3735 .56\" cy=\"-846.75\n+0001b6d0: 2220 7278 3d22 3635 2e31 3122 2072 793d \" rx=\"65.11\" ry=\n+0001b6e0: 2231 332e 3337 222f 3e0a 3c74 6578 7420 \"13.37\"/>.<text \n+0001b6f0: 7465 7874 2d61 6e63 686f 723d 226d 6964 text-anchor=\"mid\n+0001b700: 646c 6522 2078 3d22 3232 3232 2e35 3622 dle\" x=\"2222.56\"\n+0001b710: 2079 3d22 2d38 3434 2e32 3522 2066 6f6e y=\"-844.25\" fon\n+0001b720: 742d 6661 6d69 6c79 3d22 4672 6565 5361 t-family=\"FreeSa\n+0001b730: 6e73 2220 666f 6e74 2d73 697a 653d 2231 ns\" font-size=\"1\n+0001b740: 302e 3030 223e 7472 616a 6563 746f 7279 0.00\">trajectory\n+0001b750: 616e 616c 7973 6973 3c2f 7465 7874 3e0a analysis</text>.\n+0001b760: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c </a>.</g>.</g>.<\n+0001b770: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0001b780: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n+0001b790: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n+0001b7a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001b7b0: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n+0001b7c0: 7373 202d 2d3e 0a3c 6720 6964 3d22 6564 ss -->.<g id=\"ed\n+0001b7d0: 6765 3138 3822 2063 6c61 7373 3d22 6564 ge188\" class=\"ed\n+0001b7e0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+0001b7f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0001b800: 7261 6a65 6374 6f72 7961 6e61 6c79 7369 rajectoryanalysi\n+0001b810: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+0001b820: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+0001b830: 7072 6570 726f 6365 7373 3c2f 7469 746c preprocess</titl\n+0001b840: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0001b850: 6f6e 6522 2073 7472 6f6b 653d 2223 3263 one\" stroke=\"#2c\n+0001b860: 6363 3238 2220 7374 726f 6b65 2d64 6173 cc28\" stroke-das\n+0001b870: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0001b880: 4d32 3137 352c 2d38 3535 2e39 3743 3230 M2175,-855.97C20\n+0001b890: 3437 2e32 392c 2d38 3738 2e30 3420 3136 47.29,-878.04 16\n+0001b8a0: 3937 2e34 2c2d 3933 382e 3531 2031 3536 97.4,-938.51 156\n+0001b8b0: 312e 3532 2c2d 3936 312e 3939 222f 3e0a 1.52,-961.99\"/>.\n+0001b8c0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+0001b8d0: 3263 6363 3238 2220 7374 726f 6b65 3d22 2ccc28\" stroke=\"\n+0001b8e0: 2332 6363 6332 3822 2070 6f69 6e74 733d #2ccc28\" points=\n+0001b8f0: 2231 3536 302e 3631 2c2d 3935 382e 3539 \"1560.61,-958.59\n+0001b900: 2031 3535 312e 3335 2c2d 3936 332e 3735 1551.35,-963.75\n+0001b910: 2031 3536 312e 382c 2d39 3635 2e34 3920 1561.8,-965.49 \n+0001b920: 3135 3630 2e36 312c 2d39 3538 2e35 3922 1560.61,-958.59\"\n+0001b930: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+0001b940: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001b950: 7472 616a 6563 746f 7279 616e 616c 7973 trajectoryanalys\n+0001b960: 6973 2623 3435 3b26 6774 3b6d 6f64 756c is->modul\n+0001b970: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+0001b980: 6f72 6469 6e61 7465 696f 202d 2d3e 0a3c ordinateio -->.<\n+0001b990: 6720 6964 3d22 6564 6765 3138 3622 2063 g id=\"edge186\" c\n+0001b9a0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+0001b9b0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+0001b9c0: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n+0001b9d0: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n+0001b9e0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001b9f0: 6d61 6373 5f63 6f6f 7264 696e 6174 6569 macs_coordinatei\n+0001ba00: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o...<\n+0001bb00: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module\n+0001bb80: 5f73 7263 5f67 726f 6d61 6373 5f74 7261 _src_gromacs_tra\n+0001bb90: 6a65 6374 6f72 7961 6e61 6c79 7369 7326 jectoryanalysis&\n+0001bba0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001bbb0: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n+0001bbc0: 613c 2f74 6974 6c65 3e0a 3c70 6174 6820 a...<\n+0001bcf0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module\n+0001bd70: 5f73 7263 5f67 726f 6d61 6373 5f74 7261 _src_gromacs_tra\n+0001bd80: 6a65 6374 6f72 7961 6e61 6c79 7369 7326 jectoryanalysis&\n+0001bd90: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001bda0: 7263 5f67 726f 6d61 6373 5f72 616e 646f rc_gromacs_rando\n+0001bdb0: 6d3c 2f74 6974 6c65 3e0a 3c70 6174 6820 m..........mo\n-0001c1a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001c1b0: 5f66 696c 6569 6f26 2334 353b 2667 743b _fileio->\n-0001c1c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001c1d0: 6373 5f6d 6472 756e 7574 696c 6974 793c cs_mdrunutility<\n-0001c1e0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-0001c1f0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0001c200: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-0001c210: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-0001c220: 2220 643d 224d 3831 382e 3536 2c2d 3930 \" d=\"M818.56,-90\n-0001c230: 332e 3834 4338 3737 2e33 362c 2d38 3933 3.84C877.36,-893\n-0001c240: 2e33 3520 3130 3236 2e34 372c 2d38 3638 .35 1026.47,-868\n-0001c250: 2e32 3320 3131 3035 2e33 392c 2d38 3535 .23 1105.39,-855\n-0001c260: 2e34 3722 2f3e 0a3c 706f 6c79 676f 6e20 .47\"/>.<polygon \n-0001c270: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n-0001c280: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n-0001c290: 706f 696e 7473 3d22 3131 3036 2e32 372c points=\"1106.27,\n-0001c2a0: 2d38 3538 2e38 3720 3131 3135 2e35 382c -858.87 1115.58,\n-0001c2b0: 2d38 3533 2e38 3320 3131 3035 2e31 352c -853.83 1105.15,\n-0001c2c0: 2d38 3531 2e39 3620 3131 3036 2e32 372c -851.96 1106.27,\n-0001c2d0: 2d38 3538 2e38 3722 2f3e 0a3c 2f67 3e0a -858.87\"/>.</g>.\n-0001c2e0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-0001c2f0: 6772 6f6d 6163 735f 6669 6c65 696f 2623 gromacs_fileio&#\n-0001c300: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001c310: 635f 6772 6f6d 6163 735f 7472 616a 6563 c_gromacs_trajec\n-0001c320: 746f 7279 202d 2d3e 0a3c 6720 6964 3d22 tory -->.<g id=\"\n-0001c330: 6564 6765 3139 3022 2063 6c61 7373 3d22 edge190\" class=\"\n-0001c340: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-0001c350: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001c360: 5f66 696c 6569 6f26 2334 353b 2667 743b _fileio->\n-0001c370: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001c380: 6373 5f74 7261 6a65 6374 6f72 793c 2f74 cs_trajectory</t\n-0001c390: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0001c3a0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0001c3b0: 2362 6662 6662 6622 2064 3d22 4d37 3638 #bfbfbf\" d=\"M768\n-0001c3c0: 2e31 382c 2d39 3035 2e33 4336 3534 2e39 .18,-905.3C654.9\n-0001c3d0: 372c 2d38 3930 2e36 3220 3230 352e 3639 7,-890.62 205.69\n-0001c3e0: 2c2d 3833 302e 3636 2031 3532 2c2d 3739 ,-830.66 152,-79\n-0001c3f0: 372e 3331 2031 3136 2e37 392c 2d37 3735 7.31 116.79,-775\n-0001c400: 2e34 3420 3937 2c2d 3736 332e 3435 2039 .44 97,-763.45 9\n-0001c410: 372c 2d37 3232 2e30 3120 3937 2c2d 3732 7,-722.01 97,-72\n-0001c420: 322e 3031 2039 372c 2d37 3232 2e30 3120 2.01 97,-722.01 \n-0001c430: 3937 2c2d 3237 392e 3932 2039 372c 2d32 97,-279.92 97,-2\n-0001c440: 3434 2e37 3120 3937 2c2d 3230 332e 3836 44.71 97,-203.86\n-0001c450: 2039 372c 2d31 3739 2e30 3322 2f3e 0a3c 97,-179.03\"/>.<\n-0001c460: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-0001c470: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-0001c480: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-0001c490: 3130 302e 352c 2d31 3738 2e38 3220 3937 100.5,-178.82 97\n-0001c4a0: 2c2d 3136 382e 3832 2039 332e 352c 2d31 ,-168.82 93.5,-1\n-0001c4b0: 3738 2e38 3220 3130 302e 352c 2d31 3738 78.82 100.5,-178\n-0001c4c0: 2e38 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d .82\"/>.</g>.<!--\n-0001c4d0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-0001c4e0: 6163 735f 6669 6c65 696f 2623 3435 3b26 acs_fileio-&\n-0001c4f0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001c500: 6f6d 6163 735f 6d64 7370 616e 202d 2d3e omacs_mdspan -->\n-0001c510: 0a3c 6720 6964 3d22 6564 6765 3138 3822 .<g id=\"edge188\"\n-0001c520: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-0001c530: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001c540: 5f67 726f 6d61 6373 5f66 696c 6569 6f26 _gromacs_fileio&\n-0001c550: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001c560: 7263 5f67 726f 6d61 6373 5f6d 6473 7061 rc_gromacs_mdspa\n-0001c570: 6e3c 2f74 6974 6c65 3e0a 3c70 6174 6820 n....<\n-0001c720: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001c730: 726f 6d61 6373 5f66 696c 6569 6f26 2334 romacs_fileio\n-0001c740: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001c750: 5f67 726f 6d61 6373 5f67 6d78 6c69 6220 _gromacs_gmxlib \n-0001c760: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->..module_\n-0001c790: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n-0001c7a0: 696f 2623 3435 3b26 6774 3b6d 6f64 756c io->modul\n-0001c7b0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-0001c7c0: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib......module_\n+0001bff0: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n+0001c000: 6563 746f 7279 616e 616c 7973 6973 2623 ectoryanalysis&#\n+0001c010: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001c020: 635f 6772 6f6d 6163 735f 616e 616c 7973 c_gromacs_analys\n+0001c030: 6973 6461 7461 3c2f 7469 746c 653e 0a3c isdata.<\n+0001c040: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0001c050: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0001c060: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+0001c070: 6179 3d22 352c 3222 2064 3d22 4d32 3234 ay=\"5,2\" d=\"M224\n+0001c080: 392e 3836 2c2d 3833 342e 3434 4332 3237 9.86,-834.44C227\n+0001c090: 332e 3732 2c2d 3832 342e 3536 2032 3330 3.72,-824.56 230\n+0001c0a0: 382e 3439 2c2d 3831 302e 3136 2032 3333 8.49,-810.16 233\n+0001c0b0: 342e 3432 2c2d 3739 392e 3433 222f 3e0a 4.42,-799.43\"/>.\n+0001c0c0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_grom\n+0001c1c0: 6163 735f 7472 616a 6563 746f 7279 616e acs_trajectoryan\n+0001c1d0: 616c 7973 6973 2623 3435 3b26 6774 3b6d alysis->m\n+0001c1e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001c1f0: 735f 7374 6174 6973 7469 6373 3c2f 7469 s_statistics.....\n+0001c350: 3c67 2069 643d 2265 6467 6531 3833 2220 .module_src_\n+0001c380: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n+0001c390: 7279 616e 616c 7973 6973 2623 3435 3b26 ryanalysis-&\n+0001c3a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001c3b0: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n+0001c3c0: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e......module_src_gr\n+0001c630: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n+0001c640: 616e 616c 7973 6973 2623 3435 3b26 6774 analysis->\n+0001c650: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001c660: 6163 735f 6669 6c65 696f 3c2f 7469 746c acs_fileio......modu\n+0001c800: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n+0001c810: 696e 6561 7261 6c67 6562 7261 3c2f 7469 inearalgebra</ti\n+0001c820: 746c 653e 0a3c 656c 6c69 7073 6520 6669 tle>.<ellipse fi\n+0001c830: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+0001c840: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n+0001c850: 3230 3539 2e35 3622 2063 793d 222d 3130 2059.56\" cy=\"-10\n+0001c860: 3335 2e33 3622 2072 783d 2235 302e 3431 35.36\" rx=\"50.41\n+0001c870: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c \" ry=\"13.37\"/>.<\n+0001c880: 7465 7874 2074 6578 742d 616e 6368 6f72 text text-anchor\n+0001c890: 3d22 6d69 6464 6c65 2220 783d 2232 3035 =\"middle\" x=\"205\n+0001c8a0: 392e 3536 2220 793d 222d 3130 3332 2e38 9.56\" y=\"-1032.8\n+0001c8b0: 3622 2066 6f6e 742d 6661 6d69 6c79 3d22 6\" font-family=\"\n+0001c8c0: 4672 6565 5361 6e73 2220 666f 6e74 2d73 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6964 3d22 6564 6765 3139 3522 .<g id=\"edge195\"\n-0001c9c0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-0001c9d0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001c9e0: 5f67 726f 6d61 6373 5f66 696c 6569 6f26 _gromacs_fileio&\n-0001c9f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001ca00: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c rc_gromacs_modul\n-0001ca10: 6172 7369 6d75 6c61 746f 723c 2f74 6974 arsimulator</tit\n-0001ca20: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0001ca30: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n-0001ca40: 6422 2064 3d22 4d38 3231 2e32 2c2d 3930 d\" d=\"M821.2,-90\n-0001ca50: 382e 3931 4339 3531 2e30 312c 2d39 3039 8.91C951.01,-909\n-0001ca60: 2e39 3220 3135 3032 2e32 322c 2d39 3130 .92 1502.22,-910\n-0001ca70: 2e38 3920 3135 3538 2c2d 3836 302e 3138 .89 1558,-860.18\n-0001ca80: 2031 3630 382e 3632 2c2d 3831 342e 3137 1608.62,-814.17\n-0001ca90: 2031 3539 322c 2d37 3734 2e35 3320 3135 1592,-774.53 15\n-0001caa0: 3738 2c2d 3730 372e 3537 2031 3535 342e 78,-707.57 1554.\n-0001cab0: 3631 2c2d 3539 352e 3732 2031 3438 332e 61,-595.72 1483.\n-0001cac0: 3038 2c2d 3437 362e 3637 2031 3435 362e 08,-476.67 1456.\n-0001cad0: 3533 2c2d 3432 392e 3122 2f3e 0a3c 706f 53,-429.1\"/>.<po\n-0001cae0: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422 lygon fill=\"red\"\n-0001caf0: 2073 7472 6f6b 653d 2272 6564 2220 706f stroke=\"red\" po\n-0001cb00: 696e 7473 3d22 3134 3539 2e34 362c 2d34 ints=\"1459.46,-4\n-0001cb10: 3237 2e31 3520 3134 3531 2e35 392c 2d34 27.15 1451.59,-4\n-0001cb20: 3230 2e30 3620 3134 3533 2e33 322c 2d34 20.06 1453.32,-4\n-0001cb30: 3330 2e35 3120 3134 3539 2e34 362c 2d34 30.51 1459.46,-4\n-0001cb40: 3237 2e31 3522 2f3e 0a3c 2f67 3e0a 3c21 27.15\"/>.</g>.<!\n-0001cb50: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-0001cb60: 6f6d 6163 735f 6669 6c65 696f 2623 3435 omacs_fileio-\n-0001cb70: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001cb80: 6772 6f6d 6163 735f 6d64 7479 7065 7320 gromacs_mdtypes \n-0001cb90: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-0001cba0: 3839 2220 636c 6173 733d 2265 6467 6522 89\" class=\"edge\"\n-0001cbb0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-0001cbc0: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n-0001cbd0: 696f 2623 3435 3b26 6774 3b6d 6f64 756c io->modul\n-0001cbe0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0001cbf0: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types......\n-0001cda0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001cdb0: 6373 5f66 696c 6569 6f26 2334 353b 2667 cs_fileio-&g\n-0001cdc0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001cdd0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n-0001cde0: 6365 735f 6177 683c 2f74 6974 6c65 3e0a ces_awh.\n-0001cdf0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...\n-0001cf50: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .\n-0001cf90: 3c67 2069 643d 2265 6467 6531 3936 2220 .module_src_\n-0001cfc0: 6772 6f6d 6163 735f 6669 6c65 696f 2623 gromacs_fileio&#\n-0001cfd0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001cfe0: 635f 7465 7374 7574 696c 733c 2f74 6974 c_testutils..<\n-0001d0a0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-0001d0b0: 6363 6332 3822 2073 7472 6f6b 653d 2223 ccc28\" stroke=\"#\n-0001d0c0: 3263 6363 3238 2220 706f 696e 7473 3d22 2ccc28\" points=\"\n-0001d0d0: 3232 3532 2e32 362c 2d31 3032 362e 3431 2252.26,-1026.41\n-0001d0e0: 2032 3236 322e 3833 2c2d 3130 3235 2e35 2262.83,-1025.5\n-0001d0f0: 3920 3232 3534 2e30 362c 2d31 3031 392e 9 2254.06,-1019.\n-0001d100: 3634 2032 3235 322e 3236 2c2d 3130 3236 64 2252.26,-1026\n-0001d110: 2e34 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d .41\"/>...\n-0001d160: 3c67 2069 643d 2265 6467 6531 3939 2220 .module_src_\n-0001d190: 6772 6f6d 6163 735f 676d 786c 6962 2623 gromacs_gmxlib&#\n-0001d1a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001d1b0: 635f 6772 6f6d 6163 735f 6577 616c 643c c_gromacs_ewald<\n-0001d1c0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......modul\n-0001d3e0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-0001d3f0: 786c 6962 2623 3435 3b26 6774 3b6d 6f64 xlib->mod\n-0001d400: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001d410: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70 mdlib..\n-0001d530: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ...\n-0001d580: 3c67 2069 643d 2265 6467 6531 3937 2220 .module_src_\n-0001d5b0: 6772 6f6d 6163 735f 676d 786c 6962 2623 gromacs_gmxlib&#\n-0001d5c0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001d5d0: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n-0001d5e0: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70 dline..<\n-0001d740: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c polygon fill=\"bl\n-0001d750: 6163 6b22 2073 7472 6f6b 653d 2262 6c61 ack\" stroke=\"bla\n-0001d760: 636b 2220 706f 696e 7473 3d22 3133 3137 ck\" points=\"1317\n-0001d770: 2e32 322c 2d39 3636 2031 3330 372e 3336 .22,-966 1307.36\n-0001d780: 2c2d 3936 392e 3837 2031 3331 372e 3438 ,-969.87 1317.48\n-0001d790: 2c2d 3937 3320 3133 3137 2e32 322c 2d39 ,-973 1317.22,-9\n-0001d7a0: 3636 222f 3e0a 3c2f 673e 0a3c 212d 2d20 66\"/>...\n-0001d7f0: 3c67 2069 643d 2265 6467 6532 3031 2220 .module_src_\n-0001d820: 6772 6f6d 6163 735f 676d 786c 6962 2623 gromacs_gmxlib&#\n-0001d830: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001d840: 635f 6772 6f6d 6163 735f 7461 626c 6573 c_gromacs_tables\n-0001d850: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...<\n-0001d940: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...m\n-0001d9b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001d9c0: 735f 676d 786c 6962 2623 3435 3b26 6774 s_gmxlib->\n-0001d9d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001d9e0: 6163 735f 6d64 7479 7065 733c 2f74 6974 acs_mdtypes</tit\n-0001d9f0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path 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6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n-0001daf0: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n-0001db00: 7473 3d22 3132 3537 2e36 362c 2d36 3532 ts=\"1257.66,-652\n-0001db10: 2e32 3220 3132 3437 2e37 382c 2d36 3536 .22 1247.78,-656\n-0001db20: 2e30 3520 3132 3537 2e38 392c 2d36 3539 .05 1257.89,-659\n-0001db30: 2e32 3120 3132 3537 2e36 362c 2d36 3532 .21 1257.66,-652\n-0001db40: 2e32 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d .22\"/>.</g>.<!--\n-0001db50: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-0001db60: 6163 735f 6d69 6d69 6326 2334 353b 2667 acs_mimic-&g\n-0001db70: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001db80: 6d61 6373 5f6d 646c 6962 202d 2d3e 0a3c macs_mdlib -->.<\n-0001db90: 6720 6964 3d22 6564 6765 3230 3222 2063 g id=\"edge202\" c\n-0001dba0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-0001dbb0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-0001dbc0: 726f 6d61 6373 5f6d 696d 6963 2623 3435 romacs_mimic-\n-0001dbd0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001dbe0: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib</t\n-0001dbf0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0001dc00: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0001dc10: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-0001dc20: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-0001dc30: 643d 224d 3930 302e 3936 2c2d 3333 312e d=\"M900.96,-331.\n-0001dc40: 3334 4338 3931 2e37 352c 2d33 3232 2e35 34C891.75,-322.5\n-0001dc50: 3820 3837 382e 3838 2c2d 3331 302e 3333 8 878.88,-310.33\n-0001dc60: 2038 3638 2e32 342c 2d33 3030 2e32 3222 868.24,-300.22\"\n-0001dc70: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-0001dc80: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-0001dc90: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n-0001dca0: 7473 3d22 3837 302e 3634 2c2d 3239 372e ts=\"870.64,-297.\n-0001dcb0: 3637 2038 3630 2e39 382c 2d32 3933 2e33 67 860.98,-293.3\n-0001dcc0: 3120 3836 352e 3832 2c2d 3330 322e 3734 1 865.82,-302.74\n-0001dcd0: 2038 3730 2e36 342c 2d32 3937 2e36 3722 870.64,-297.67\"\n-0001dce0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-0001dcf0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001dd00: 746f 706f 6c6f 6779 202d 2d3e 0a3c 6720 topology -->.<g \n-0001dd10: 6964 3d22 6e6f 6465 3336 2220 636c 6173 id=\"node36\" clas\n-0001dd20: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65 s=\"node\">.<title\n-0001dd30: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-0001dd40: 6163 735f 746f 706f 6c6f 6779 3c2f 7469 acs_topology</ti\n-0001dd50: 746c 653e 0a3c 656c 6c69 7073 6520 6669 tle>.<ellipse fi\n-0001dd60: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n-0001dd70: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n-0001dd80: 3133 3236 2220 6379 3d22 2d37 3231 2e30 1326\" cy=\"-721.0\n-0001dd90: 3122 2072 783d 2233 372e 3435 2220 7279 1\" rx=\"37.45\" ry\n-0001dda0: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874 =\"13.37\"/>.<text\n-0001ddb0: 2074 6578 742d 616e 6368 6f72 3d22 6d69 text-anchor=\"mi\n-0001ddc0: 6464 6c65 2220 783d 2231 3332 3622 2079 ddle\" x=\"1326\" y\n-0001ddd0: 3d22 2d37 3138 2e35 3122 2066 6f6e 742d =\"-718.51\" font-\n-0001dde0: 6661 6d69 6c79 3d22 4672 6565 5361 6e73 family=\"FreeSans\n-0001ddf0: 2220 666f 6e74 2d73 697a 653d 2231 302e \" font-size=\"10.\n-0001de00: 3030 223e 746f 706f 6c6f 6779 3c2f 7465 00\">topology</te\n-0001de10: 7874 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f xt>.</g>.<!-- mo\n-0001de20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001de30: 5f74 6f70 6f6c 6f67 7926 2334 353b 2667 _topology-&g\n-0001de40: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001de50: 6d61 6373 5f6d 6474 7970 6573 202d 2d3e macs_mdtypes -->\n-0001de60: 0a3c 6720 6964 3d22 6564 6765 3230 3322 .<g id=\"edge203\"\n-0001de70: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-0001de80: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001de90: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67 _gromacs_topolog\n-0001dea0: 7926 2334 353b 2667 743b 6d6f 6475 6c65 y->module\n-0001deb0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n-0001dec0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes..\n-0001dfc0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mod\n-0001e030: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001e040: 746f 706f 6c6f 6779 2623 3435 3b26 6774 topology->\n-0001e050: 3b6d 6f64 756c 655f 7372 635f 7465 7374 ;module_src_test\n-0001e060: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70 utils...\n-0001e1f0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_grom\n-0001e270: 6163 735f 616e 616c 7973 6973 6461 7461 acs_analysisdata\n-0001e280: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001e290: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n-0001e2a0: 696f 3c2f 7469 746c 653e 0a3c 7061 7468 io.\n-0001e310: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n-0001e380: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mod\n-0001e3f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001e400: 7377 6170 2623 3435 3b26 6774 3b6d 6f64 swap->mod\n-0001e410: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001e420: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c domdec.<\n-0001e430: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001e440: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-0001e450: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-0001e460: 6179 3d22 352c 3222 2064 3d22 4d37 3935 ay=\"5,2\" d=\"M795\n-0001e470: 2e37 322c 2d34 3136 2e32 3143 3831 372e .72,-416.21C817.\n-0001e480: 3134 2c2d 3432 352e 3631 2038 3532 2e32 14,-425.61 852.2\n-0001e490: 382c 2d34 3431 2e33 3320 3838 322c 2d34 8,-441.33 882,-4\n-0001e4a0: 3536 2e30 3920 3930 342e 362c 2d34 3637 56.09 904.6,-467\n-0001e4b0: 2e33 3120 3930 382e 3032 2c2d 3437 352e .31 908.02,-475.\n-0001e4c0: 3132 2039 3332 2c2d 3438 322e 3936 2031 12 932,-482.96 1\n-0001e4d0: 3033 352e 372c 2d35 3136 2e38 3820 3131 035.7,-516.88 11\n-0001e4e0: 3634 2e34 392c 2d35 3237 2e30 3420 3132 64.49,-527.04 12\n-0001e4f0: 3331 2e39 322c 2d35 3330 2e30 3922 2f3e 31.92,-530.09\"/>\n-0001e500: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....mo\n-0001e5e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001e5f0: 5f73 7761 7026 2334 353b 2667 743b 6d6f _swap->mo\n-0001e600: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001e610: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c _mdlib.<\n-0001e620: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001e630: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-0001e640: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-0001e650: 6179 3d22 352c 3222 2064 3d22 4d37 3832 ay=\"5,2\" d=\"M782\n-0001e660: 2e34 372c 2d33 3933 2e35 3343 3739 302e .47,-393.53C790.\n-0001e670: 3533 2c2d 3337 382e 3534 2038 3034 2e38 53,-378.54 804.8\n-0001e680: 362c 2d33 3532 2e33 3220 3831 382c 2d33 6,-352.32 818,-3\n-0001e690: 3330 2e33 3520 3832 332e 3439 2c2d 3332 30.35 823.49,-32\n-0001e6a0: 312e 3136 2038 3239 2e38 322c 2d33 3131 1.16 829.82,-311\n-0001e6b0: 2e31 3820 3833 352e 3333 2c2d 3330 322e .18 835.33,-302.\n-0001e6c0: 3637 222f 3e0a 3c70 6f6c 7967 6f6e 2066 67\"/>.....modul\n-0001e9d0: 655f 7372 635f 6772 6f6d 6163 735f 7377 e_src_gromacs_sw\n-0001e9e0: 6170 2623 3435 3b26 6774 3b6d 6f64 756c ap->modul\n-0001e9f0: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-0001ea00: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio....\n-0001eb10: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_gro\n-0001ed50: 6d61 6373 5f73 7761 7026 2334 353b 2667 macs_swap-&g\n-0001ed60: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001ed70: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes......module_src_gr\n-0001ef00: 6f6d 6163 735f 7461 626c 6573 2623 3435 omacs_tables-\n-0001ef10: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001ef20: 6772 6f6d 6163 735f 6d64 7370 616e 3c2f gromacs_mdspan..\n-0001efb0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ..<\n-0001f020: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001f030: 726f 6d61 6373 5f74 6162 6c65 7326 2334 romacs_tables\n-0001f040: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001f050: 5f67 726f 6d61 6373 5f66 696c 6569 6f20 _gromacs_fileio \n-0001f060: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->..module_\n-0001f090: 7372 635f 6772 6f6d 6163 735f 7461 626c src_gromacs_tabl\n-0001f0a0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n-0001f0b0: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-0001f0c0: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio......module_src_gro\n-0001f290: 6d61 6373 5f74 6162 6c65 7326 2334 353b macs_tables-\n-0001f2a0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001f2b0: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f romacs_mdtypes......module_src_gro\n-0001f470: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26 macs_tools-&\n-0001f480: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001f490: 6f6d 6163 735f 6577 616c 643c 2f74 6974 omacs_ewald......module_src_grom\n-0001f670: 6163 735f 746f 6f6c 7326 2334 353b 2667 acs_tools-&g\n-0001f680: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001f690: 6d61 6373 5f6d 646c 6962 3c2f 7469 746c macs_mdlib..<\n-0001f810: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-0001f820: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-0001f830: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-0001f840: 3831 302e 3732 2c2d 3238 362e 3132 2038 810.72,-286.12 8\n-0001f850: 3230 2e36 352c 2d32 3832 2e34 3220 3831 20.65,-282.42 81\n-0001f860: 302e 3538 2c2d 3237 392e 3133 2038 3130 0.58,-279.13 810\n-0001f870: 2e37 322c 2d32 3836 2e31 3222 2f3e 0a3c .72,-286.12\"/>.<\n-0001f880: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f 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class=\"ed\n-0001fcb0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-0001fcc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-0001fcd0: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64 ools->mod\n-0001fce0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001fcf0: 636f 6d6d 616e 646c 696e 653c 2f74 6974 commandline</tit\n-0001fd00: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0001fd10: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c none\" stroke=\"bl\n-0001fd20: 6163 6b22 2073 7472 6f6b 652d 6461 7368 ack\" stroke-dash\n-0001fd30: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-0001fd40: 3938 382e 3234 2c2d 3132 3133 2e39 3243 988.24,-1213.92C\n-0001fd50: 3130 3332 2e32 362c 2d31 3139 312e 3334 1032.26,-1191.34\n-0001fd60: 2031 3134 352e 3834 2c2d 3131 3238 2e35 1145.84,-1128.5\n-0001fd70: 3520 3132 3136 2c2d 3130 3438 2e37 3920 5 1216,-1048.79 \n-0001fd80: 3132 3239 2e38 382c 2d31 3033 332e 3032 1229.88,-1033.02\n-0001fd90: 2031 3234 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ls->modul\n-00020130: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00020140: 7275 6e3c 2f74 6974 6c65 3e0a 3c70 6174 run......modul\n-00020360: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n-00020370: 6f6c 7326 2334 353b 2667 743b 6d6f 6475 ols->modu\n-00020380: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-00020390: 7261 6a65 6374 6f72 793c 2f74 6974 6c65 rajectory</title\n-000203a0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-000203b0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-000203c0: 6662 6622 2064 3d22 4d39 3433 2e38 312c fbf\" d=\"M943.81,\n-000203d0: 2d31 3232 302e 3631 4339 3134 2e32 342c -1220.61C914.24,\n-000203e0: 2d31 3231 372e 3939 2038 3634 2e36 392c -1217.99 864.69,\n-000203f0: 2d31 3231 332e 3720 3832 322c 2d31 3231 -1213.7 822,-121\n-00020400: 302e 3533 2035 3733 2e32 382c 2d31 3139 0.53 573.28,-119\n-00020410: 322e 3039 2035 3036 2e37 342c 2d31 3232 2.09 506.74,-122\n-00020420: 322e 3531 2032 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>module_src_g\n-000223d0: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n-000223e0: 6e6d 656e 743c 2f74 6974 6c65 3e0a 3c70 nment...<\n-000224c0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modu\n-00022730: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00022740: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n-00022750: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00022760: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-00022770: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b....<\n-000228b0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-000228c0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-000228d0: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n-000228e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000228f0: 6373 5f72 616e 646f 6d20 2d2d 3e0a 3c67 cs_random -->..module_src_gr\n-00022930: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n-00022940: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n-00022950: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00022960: 735f 7261 6e64 6f6d 3c2f 7469 746c 653e s_random\n-00022970: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gro\n-00022b40: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n-00022b50: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n-00022b60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00022b70: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n-00022b80: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...<\n-00022c80: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_\n-00022d00: 7372 635f 6772 6f6d 6163 735f 6573 7365 src_gromacs_esse\n-00022d10: 6e74 6961 6c64 796e 616d 6963 7326 2334 ntialdynamics\n-00022d20: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00022d30: 5f67 726f 6d61 6373 5f64 6f6d 6465 633c _gromacs_domdec<\n-00022d40: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00022d50: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00022d60: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-00022d70: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-00022d80: 2220 643d 224d 3133 3135 2e35 392c 2d32 \" d=\"M1315.59,-2\n-00022d90: 3331 2e36 3743 3133 3136 2e35 362c 2d32 31.67C1316.56,-2\n-00022da0: 3536 2e30 3220 3133 3137 2e39 322c 2d33 56.02 1317.92,-3\n-00022db0: 3131 2e31 3820 3133 3133 2c2d 3335 372e 11.18 1313,-357.\n-00022dc0: 3232 2031 3330 372e 3131 2c2d 3431 322e 22 1307.11,-412.\n-00022dd0: 3333 2031 3239 322e 3235 2c2d 3437 352e 33 1292.25,-475.\n-00022de0: 3839 2031 3238 332e 3931 2c2d 3530 382e 89 1283.91,-508.\n-00022df0: 3838 222f 3e0a 3c70 6f6c 7967 6f6e 2066 88\"/>.<polygon f\n-00022e00: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n-00022e10: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n-00022e20: 6f69 6e74 733d 2231 3238 302e 3435 2c2d oints=\"1280.45,-\n-00022e30: 3530 382e 3239 2031 3238 312e 3335 2c2d 508.29 1281.35,-\n-00022e40: 3531 382e 3834 2031 3238 372e 3233 2c2d 518.84 1287.23,-\n-00022e50: 3531 302e 3033 2031 3238 302e 3435 2c2d 510.03 1280.45,-\n-00022e60: 3530 382e 3239 222f 3e0a 3c2f 673e 0a3c 508.29\"/>.</g>.<\n-00022e70: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00022e80: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n-00022e90: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n-00022ea0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00022eb0: 6163 735f 6d64 6c69 6220 2d2d 3e0a 3c67 acs_mdlib -->.<g\n-00022ec0: 2069 643d 2265 6467 6532 3437 2220 636c id=\"edge247\" cl\n-00022ed0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-00022ee0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-00022ef0: 6f6d 6163 735f 6573 7365 6e74 6961 6c64 omacs_essentiald\n-00022f00: 796e 616d 6963 7326 2334 353b 2667 743b ynamics->\n-00022f10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00022f20: 6373 5f6d 646c 6962 3c2f 7469 746c 653e cs_mdlib\n-00022f30: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......\n-00023080: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-00023090: 635f 6772 6f6d 6163 735f 6573 7365 6e74 c_gromacs_essent\n-000230a0: 6961 6c64 796e 616d 6963 7326 2334 353b ialdynamics-\n-000230b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-000230c0: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n-000230d0: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468 ne.....\n-000232f0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00023300: 7263 5f67 726f 6d61 6373 5f65 7373 656e rc_gromacs_essen\n-00023310: 7469 616c 6479 6e61 6d69 6373 2623 3435 tialdynamics-\n-00023320: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00023330: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n-00023340: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity......module_src_gro\n-00023550: 6d61 6373 5f65 7373 656e 7469 616c 6479 macs_essentialdy\n-00023560: 6e61 6d69 6373 2623 3435 3b26 6774 3b6d namics->m\n-00023570: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00023580: 735f 6669 6c65 696f 3c2f 7469 746c 653e s_fileio\n-00023590: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..<\n-00023680: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-00023690: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-000236a0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-000236b0: 3833 302e 3939 2c2d 3930 352e 3231 2038 830.99,-905.21 8\n-000236c0: 3230 2e39 382c 2d39 3038 2e37 2038 3330 20.98,-908.7 830\n-000236d0: 2e39 382c 2d39 3132 2e32 3120 3833 302e .98,-912.21 830.\n-000236e0: 3939 2c2d 3930 352e 3231 222f 3e0a 3c2f 99,-905.21\"/>....module_\n-00023940: 7372 635f 6772 6f6d 6163 735f 6573 7365 src_gromacs_esse\n-00023950: 6e74 6961 6c64 796e 616d 6963 7326 2334 ntialdynamics\n-00023960: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00023970: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-00023980: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....\n-00023ae0: 3c67 2069 643d 2265 6467 6532 3530 2220 .module_src_\n-00023b10: 6772 6f6d 6163 735f 7574 696c 6974 7926 gromacs_utility&\n-00023b20: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00023b30: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n-00023b40: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061 tils.....\n-00023ca0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00023cb0: 7263 5f67 726f 6d61 6373 5f75 7469 6c69 rc_gromacs_utili\n-00023cc0: 7479 2623 3435 3b26 6774 3b6d 6f64 756c ty->modul\n-00023cd0: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n-00023ce0: 6d70 6174 3c2f 7469 746c 653e 0a3c 7061 mpat....\n-00023e40: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mo\n-00023eb0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00023ec0: 5f6d 6474 7970 6573 2623 3435 3b26 6774 _mdtypes->\n-00023ed0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00023ee0: 6163 735f 6770 755f 7574 696c 733c 2f74 acs_gpu_utils</t\n-00023ef0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00023f00: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00023f10: 2332 3832 6663 6322 2064 3d22 4d31 3138 #282fcc\" d=\"M118\n-00023f20: 362e 3738 2c2d 3636 382e 3838 4331 3135 6.78,-668.88C115\n-00023f30: 372e 3532 2c2d 3637 392e 3636 2031 3130 7.52,-679.66 110\n-00023f40: 372e 3136 2c2d 3639 372e 3031 2031 3037 7.16,-697.01 107\n-00023f50: 312e 3939 2c2d 3730 382e 3436 222f 3e0a 1.99,-708.46\"/>.\n-00023f60: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n-00023f70: 3238 3266 6363 2220 7374 726f 6b65 3d22 282fcc\" stroke=\"\n-00023f80: 2332 3832 6663 6322 2070 6f69 6e74 733d #282fcc\" points=\n-00023f90: 2231 3037 302e 352c 2d37 3035 2e32 3720 \"1070.5,-705.27 \n-00023fa0: 3130 3632 2e30 362c 2d37 3131 2e36 3720 1062.06,-711.67 \n-00023fb0: 3130 3732 2e36 352c 2d37 3131 2e39 3320 1072.65,-711.93 \n-00023fc0: 3130 3730 2e35 2c2d 3730 352e 3237 222f 1070.5,-705.27\"/\n-00023fd0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n-00023fe0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00023ff0: 6474 7970 6573 2623 3435 3b26 6774 3b6d dtypes->m\n-00024000: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00024010: 735f 6577 616c 6420 2d2d 3e0a 3c67 2069 s_ewald -->.<g i\n-00024020: 643d 2265 6467 6532 3533 2220 636c 6173 d=\"edge253\" clas\n-00024030: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-00024040: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-00024050: 6163 735f 6d64 7479 7065 7326 2334 353b acs_mdtypes-\n-00024060: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00024070: 726f 6d61 6373 5f65 7761 6c64 3c2f 7469 romacs_ewald</ti\n-00024080: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00024090: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-000240a0: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-000240b0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-000240c0: 3d22 4d31 3230 342e 3435 2c2d 3634 342e =\"M1204.45,-644.\n-000240d0: 3832 4331 3230 332e 3331 2c2d 3633 372e 82C1203.31,-637.\n-000240e0: 3331 2031 3230 322e 3938 2c2d 3632 372e 31 1202.98,-627.\n-000240f0: 3439 2031 3230 332e 3436 2c2d 3631 382e 49 1203.46,-618.\n-00024100: 3635 222f 3e0a 3c70 6f6c 7967 6f6e 2066 65\"/>.<polygon f\n-00024110: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n-00024120: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n-00024130: 6f69 6e74 733d 2231 3230 362e 3936 2c2d oints=\"1206.96,-\n-00024140: 3631 382e 3836 2031 3230 342e 3435 2c2d 618.86 1204.45,-\n-00024150: 3630 382e 3537 2031 3139 392e 3939 2c2d 608.57 1199.99,-\n-00024160: 3631 382e 3138 2031 3230 362e 3936 2c2d 618.18 1206.96,-\n-00024170: 3631 382e 3836 222f 3e0a 3c2f 673e 0a3c 618.86\"/>.</g>.<\n-00024180: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00024190: 726f 6d61 6373 5f6d 6474 7970 6573 2623 romacs_mdtypes&#\n-000241a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000241b0: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n-000241c0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-000241d0: 3235 3622 2063 6c61 7373 3d22 6564 6765 256\" class=\"edge\n-000241e0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-000241f0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n-00024200: 7970 6573 2623 3435 3b26 6774 3b6d 6f64 ypes->mod\n-00024210: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00024220: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c domdec.<\n-00024230: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00024240: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00024250: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-00024260: 6179 3d22 352c 3222 2064 3d22 4d31 3232 ay=\"5,2\" d=\"M122\n-00024270: 302e 3838 2c2d 3634 342e 3932 4331 3233 0.88,-644.92C123\n-00024280: 312e 3234 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686f 723d 226d 6964 646c xt-anchor=\"middl\n-00024c00: 6522 2078 3d22 3436 3622 2079 3d22 2d31 e\" x=\"466\" y=\"-1\n-00024c10: 3232 312e 3437 2220 666f 6e74 2d66 616d 221.47\" font-fam\n-00024c20: 696c 793d 2246 7265 6553 616e 7322 2066 ily=\"FreeSans\" f\n-00024c30: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022 ont-size=\"10.00\"\n-00024c40: 3e6c 696e 6561 7261 6c67 6562 7261 3c2f >linearalgebra</\n-00024c50: 7465 7874 3e0a 3c2f 673e 0a3c 212d 2d20 text>.</g>.<!-- \n-00024c60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00024c70: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n-00024c80: 735f 6177 6826 2334 353b 2667 743b 6d6f s_awh->mo\n-00024c90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00024ca0: 5f6d 6472 756e 7574 696c 6974 7920 2d2d _mdrunutility --\n-00024cb0: 3e0a 3c67 2069 643d 2265 6467 6532 3636 >.<g id=\"edge266\n-00024cc0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-00024cd0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 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653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001d260: 5f67 726f 6d61 6373 5f74 696d 696e 6726 _gromacs_timing&\n+0001d270: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001d280: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+0001d290: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es......module_src_gro\n+0001d3d0: 6d61 6373 5f74 6f6f 6c73 3c2f 7469 746c macs_tools..tools....module_src_grom\n+0001d520: 6163 735f 746f 6f6c 7326 2334 353b 2667 acs_tools-&g\n+0001d530: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001d540: 6d61 6373 5f6d 6472 756e 3c2f 7469 746c macs_mdrun.....<\n+0001d690: 6720 6964 3d22 6564 6765 3139 3922 2063 g id=\"edge199\" c\n+0001d6a0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0001d6c0: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n+0001d6d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001d6e0: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib..\n+0001d810: 3c70 6f6c 7967 6f6e 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643c 2f74 6974 6c65 acs_ewald</title\n+0001dad0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0001dae0: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+0001daf0: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+0001db00: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+0001db10: 3134 3135 2e34 322c 2d31 3033 342e 3243 1415.42,-1034.2C\n+0001db20: 3132 3532 2e37 392c 2d31 3033 332e 3135 1252.79,-1033.15\n+0001db30: 2034 3130 2e37 342c 2d31 3032 352e 3832 410.74,-1025.82\n+0001db40: 2033 3033 2e35 362c 2d39 3835 2e39 3220 303.56,-985.92 \n+0001db50: 3235 332e 3037 2c2d 3936 372e 3132 2032 253.07,-967.12 2\n+0001db60: 3038 2e35 362c 2d39 3634 2e34 3920 3230 08.56,-964.49 20\n+0001db70: 382e 3536 2c2d 3931 302e 3632 2032 3038 8.56,-910.62 208\n+0001db80: 2e35 362c 2d39 3130 2e36 3220 3230 382e .56,-910.62 208.\n+0001db90: 3536 2c2d 3931 302e 3632 2032 3038 2e35 56,-910.62 208.5\n+0001dba0: 362c 2d35 3934 2e32 3720 3230 382e 3536 6,-594.27 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6f6f 6c73 2623 3435 3b26 6774 3b6d _tools->m\n+0001dca0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001dcb0: 735f 6d64 7479 7065 7320 2d2d 3e0a 3c67 s_mdtypes -->.<g\n+0001dcc0: 2069 643d 2265 6467 6532 3030 2220 636c id=\"edge200\" cl\n+0001dcd0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0001dce0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0001dcf0: 6f6d 6163 735f 746f 6f6c 7326 2334 353b omacs_tools-\n+0001dd00: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001dd10: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f romacs_mdtypes</\n+0001dd20: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001dd30: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001dd40: 2223 6266 6266 6266 2220 643d 224d 3134 \"#bfbfbf\" d=\"M14\n+0001dd50: 3431 2e32 322c 2d31 3032 312e 3633 4331 41.22,-1021.63C1\n+0001dd60: 3434 302e 3236 2c2d 3130 3131 2e38 3720 440.26,-1011.87 \n+0001dd70: 3134 3339 2e30 362c 2d39 3938 2e30 3620 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3435 romacs_tools-\n+0001df50: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001df60: 6772 6f6d 6163 735f 7261 6e64 6f6d 3c2f gromacs_random</\n+0001df70: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001df80: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001df90: 2262 6c61 636b 2220 7374 726f 6b65 2d64 \"black\" stroke-d\n+0001dfa0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+0001dfb0: 3d22 4d31 3436 392e 3533 2c2d 3130 3333 =\"M1469.53,-1033\n+0001dfc0: 2e36 4331 3633 342e 3638 2c2d 3130 3238 .6C1634.68,-1028\n+0001dfd0: 2e39 3520 3235 3032 2e39 332c 2d31 3030 .95 2502.93,-100\n+0001dfe0: 332e 3634 2032 3532 332e 3536 2c2d 3938 3.64 2523.56,-98\n+0001dff0: 352e 3932 2032 3534 392e 3435 2c2d 3936 5.92 2549.45,-96\n+0001e000: 332e 3639 2032 3533 382e 3536 2c2d 3934 3.69 2538.56,-94\n+0001e010: 342e 3734 2032 3533 382e 3536 2c2d 3931 4.74 2538.56,-91\n+0001e020: 302e 3632 2032 3533 382e 3536 2c2d 3931 0.62 2538.56,-91\n+0001e030: 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2d33 3539 ts=\"2290.07,-359\n+0001e120: 2e35 3720 3232 3830 2e31 2c2d 3335 352e .57 2280.1,-355.\n+0001e130: 3936 2032 3238 352e 3635 2c2d 3336 342e 96 2285.65,-364.\n+0001e140: 3939 2032 3239 302e 3037 2c2d 3335 392e 99 2290.07,-359.\n+0001e150: 3537 222f 3e0a 3c2f 673e 0a3c 212d 2d20 57\"/>.</g>.<!-- \n+0001e160: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001e170: 6373 5f74 6f6f 6c73 2623 3435 3b26 6774 cs_tools->\n+0001e180: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001e190: 6163 735f 6666 7420 2d2d 3e0a 3c67 2069 acs_fft -->.<g i\n+0001e1a0: 643d 2265 6467 6531 3936 2220 636c 6173 d=\"edge196\" clas\n+0001e1b0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+0001e1c0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0001e1d0: 6163 735f 746f 6f6c 7326 2334 353b 2667 acs_tools-&g\n+0001e1e0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001e1f0: 6d61 6373 5f66 6674 3c2f 7469 746c 653e macs_fft\n+0001e200: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n+0001e3b0: 0a3c 6720 6964 3d22 6564 6765 3230 3322 ..<\n+0001e3d0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001e3e0: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623 _gromacs_tools&#\n+0001e3f0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001e400: 635f 6772 6f6d 6163 735f 7472 616a 6563 c_gromacs_trajec\n+0001e410: 746f 7279 3c2f 7469 746c 653e 0a3c 7061 tory......mo\n+0001e5a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001e5b0: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d _tools->m\n+0001e5c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001e5d0: 735f 6c69 7374 6564 5f66 6f72 6365 733c s_listed_forces<\n+0001e5e0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0001e5f0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0001e600: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+0001e610: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+0001e620: 2220 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6669 6c6c 3d22 le>.<path fill=\"\n+00021800: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n+00021810: 6422 2064 3d22 4d37 3132 2e32 352c 2d33 d\" d=\"M712.25,-3\n+00021820: 3335 2e32 3543 3730 362e 3735 2c2d 3333 35.25C706.75,-33\n+00021830: 332e 3632 2037 3030 2e39 362c 2d33 3331 3.62 700.96,-331\n+00021840: 2e39 3220 3639 352e 3536 2c2d 3333 302e .92 695.56,-330.\n+00021850: 3335 2035 3838 2e33 332c 2d32 3939 2e31 35 588.33,-299.1\n+00021860: 3620 3533 332e 3838 2c2d 3331 392e 3034 6 533.88,-319.04\n+00021870: 2034 3634 2e35 362c 2d32 3331 2e34 3820 464.56,-231.48 \n+00021880: 3433 392e 322c 2d31 3939 2e34 3420 3432 439.2,-199.44 42\n+00021890: 302e 3034 2c2d 3137 342e 3433 2034 3434 0.04,-174.43 444\n+000218a0: 2e35 362c 2d31 3431 2e37 3420 3434 382e .56,-141.74 448.\n+000218b0: 3435 2c2d 3133 362e 3535 2035 3232 2e36 45,-136.55 522.6\n+000218c0: 352c 2d31 3136 2e33 3220 3537 302e 3532 5,-116.32 570.52\n+000218d0: 2c2d 3130 332e 3722 2f3e 0a3c 706f 6c79 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6373 5f6e 626e 786d 2623 3435 3b26 6774 cs_nbnxm->\n+000219d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000219e0: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib</titl\n+000219f0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00021a00: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00021a10: 6266 6266 2220 643d 224d 3733 372e 3634 bfbf\" d=\"M737.64\n+00021a20: 2c2d 3333 302e 3233 4337 3338 2e34 342c ,-330.23C738.44,\n+00021a30: 2d33 3133 2e35 3420 3734 322e 3431 2c2d -313.54 742.41,-\n+00021a40: 3238 342e 3233 2037 3539 2e35 362c 2d32 284.23 759.56,-2\n+00021a50: 3637 2e34 3820 3830 332e 3938 2c2d 3232 67.48 803.98,-22\n+00021a60: 342e 3039 2038 3433 2e31 362c 2d32 3636 4.09 843.16,-266\n+00021a70: 2e33 3320 3839 342e 3536 2c2d 3233 312e .33 894.56,-231.\n+00021a80: 3438 2039 3036 2e38 382c 2d32 3233 2e31 48 906.88,-223.1\n+00021a90: 3320 3930 312e 3835 2c2d 3231 322e 3336 3 901.85,-212.36\n+00021aa0: 2039 3134 2e35 362c 2d32 3034 2e36 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6163 735f 6d64 7479 7065 7320 2d2d 3e0a acs_mdtypes -->.\n+00021ba0: 3c67 2069 643d 2265 6467 6532 3331 2220 <g id=\"edge231\" \n+00021bb0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00021bc0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00021bd0: 6772 6f6d 6163 735f 7461 626c 6573 2623 gromacs_tables&#\n+00021be0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00021bf0: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+00021c00: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s....\n+00021d60: 0a3c 6720 6964 3d22 6564 6765 3233 3022 ..<\n+00021d80: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00021d90: 5f67 726f 6d61 6373 5f74 6162 6c65 7326 _gromacs_tables&\n+00021da0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00021db0: 7263 5f67 726f 6d61 6373 5f6d 6473 7061 rc_gromacs_mdspa\n+00021dc0: 6e3c 2f74 6974 6c65 3e0a 3c70 6174 6820 n......mod\n+00021f30: 756c 655f 7372 635f 6772 6f6d 6163 735f 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3622 2518.51,-40.26\"\n+00022f40: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00022f50: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00022f60: 636f 6d6d 616e 646c 696e 6526 2334 353b commandline-\n+00022f70: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00022f80: 726f 6d61 6373 5f66 696c 6569 6f20 2d2d romacs_fileio --\n+00022f90: 3e0a 3c67 2069 643d 2265 6467 6532 3337 >.<g id=\"edge237\n+00022fa0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+00022fb0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00022fc0: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n+00022fd0: 646c 696e 6526 2334 353b 2667 743b 6d6f dline->mo\n+00022fe0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00022ff0: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a _fileio.\n+00023000: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_gro\n+000231c0: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n+000231d0: 7926 2334 353b 2667 743b 6d6f 6475 6c65 y->module\n+000231e0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+000231f0: 756e 3c2f 7469 746c 653e 0a3c 7061 7468 un......modul\n+00023400: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00023410: 7275 6e75 7469 6c69 7479 2623 3435 3b26 runutility-&\n+00023420: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00023430: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes</t\n+00023440: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00023450: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00023460: 2362 6662 6662 6622 2064 3d22 4d31 3430 #bfbfbf\" d=\"M140\n+00023470: 372e 3532 2c2d 3233 312e 3439 4331 3431 7.52,-231.49C141\n+00023480: 312e 3134 2c2d 3237 382e 3637 2031 3432 1.14,-278.67 142\n+00023490: 342e 3037 2c2d 3434 362e 3931 2031 3432 4.07,-446.91 142\n+000234a0: 382e 382c 2d35 3038 2e35 3522 2f3e 0a3c 8.8,-508.55\"/>.<\n+000234b0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon 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5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+000235b0: 756e 7574 696c 6974 7926 2334 353b 2667 unutility-&g\n+000235c0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000235d0: 6d61 6373 5f68 6172 6477 6172 653c 2f74 macs_hardware</t\n+000235e0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+000235f0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00023600: 2362 6662 6662 6622 2064 3d22 4d31 3336 #bfbfbf\" d=\"M136\n+00023610: 312e 3737 2c2d 3231 332e 3632 4331 3232 1.77,-213.62C122\n+00023620: 332e 3135 2c2d 3230 332e 3032 2038 3031 3.15,-203.02 801\n+00023630: 2e39 312c 2d31 3730 2e38 3120 3635 382e .91,-170.81 658.\n+00023640: 3736 2c2d 3135 392e 3836 222f 3e0a 3c70 76,-159.86\"/>.<p\n+00023650: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+00023660: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+00023670: 6662 6662 6622 2070 6f69 6e74 733d 2236 fbfbf\" points=\"6\n+00023680: 3538 2e37 382c 2d31 3536 2e33 3520 3634 58.78,-156.35 64\n+00023690: 382e 3535 2c2d 3135 392e 3038 2036 3538 8.55,-159.08 658\n+000236a0: 2e32 352c 2d31 3633 2e33 3320 3635 382e .25,-163.33 658.\n+000236b0: 3738 2c2d 3135 362e 3335 222f 3e0a 3c2f 78,-156.35\"/>.</\n+000236c0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+000236d0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+000236e0: 7574 696c 6974 7926 2334 353b 2667 743b utility->\n+000236f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00023700: 6373 5f67 6d78 6c69 6220 2d2d 3e0a 3c67 cs_gmxlib -->.<g\n+00023710: 2069 643d 2265 6467 6532 3431 2220 636c id=\"edge241\" cl\n+00023720: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00023730: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00023740: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n+00023750: 7479 2623 3435 3b26 6774 3b6d 6f64 756c ty->modul\n+00023760: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00023770: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib......module_src_gr\n+000238e0: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n+000238f0: 7479 2623 3435 3b26 6774 3b6d 6f64 756c ty->modul\n+00023900: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+00023910: 6d6d 616e 646c 696e 653c 2f74 6974 6c65 mmandline......modu\n+00023ab0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00023ac0: 6472 756e 7574 696c 6974 7926 2334 353b drunutility-\n+00023ad0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00023ae0: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74 romacs_fileio</t\n+00023af0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00023b00: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00023b10: 2362 6662 6662 6622 2064 3d22 4d31 3434 #bfbfbf\" d=\"M144\n+00023b20: 382e 3731 2c2d 3232 342e 3338 4331 3438 8.71,-224.38C148\n+00023b30: 392e 3836 2c2d 3233 312e 3036 2031 3535 9.86,-231.06 155\n+00023b40: 332e 312c 2d32 3434 2e35 3120 3136 3033 3.1,-244.51 1603\n+00023b50: 2e35 362c 2d32 3637 2e34 3820 3136 3933 .56,-267.48 1693\n+00023b60: 2e33 382c 2d33 3038 2e33 3620 3137 3136 .38,-308.36 1716\n+00023b70: 2e36 372c 2d33 3233 2e35 3620 3137 3836 .67,-323.56 1786\n+00023b80: 2e35 362c 2d33 3933 2e32 3220 3138 3633 .56,-393.22 1863\n+00023b90: 2e37 342c 2d34 3730 2e31 3520 3139 3231 .74,-470.15 1921\n+00023ba0: 2e38 312c 2d35 3031 2e32 3620 3139 3033 .81,-501.26 1903\n+00023bb0: 2e35 362c 2d36 3038 2e37 2031 3839 382e .56,-608.7 1898.\n+00023bc0: 362c 2d36 3337 2e38 3920 3138 3939 2e39 6,-637.89 1899.9\n+00023bd0: 342c 2d36 3438 2e33 3720 3138 3831 2e35 4,-648.37 1881.5\n+00023be0: 362c 2d36 3731 2e35 3720 3138 3638 2e31 6,-671.57 1868.1\n+00023bf0: 322c 2d36 3838 2e35 3420 3138 3437 2c2d 2,-688.54 1847,-\n+00023c00: 3730 312e 3332 2031 3832 392e 3031 2c2d 701.32 1829.01,-\n+00023c10: 3730 392e 3437 222f 3e0a 3c70 6f6c 7967 709.47\"/>.<polyg\n+00023c20: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n+00023c30: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+00023c40: 6622 2070 6f69 6e74 733d 2231 3832 372e f\" points=\"1827.\n+00023c50: 3236 2c2d 3730 362e 3431 2031 3831 392e 26,-706.41 1819.\n+00023c60: 3431 2c2d 3731 332e 3533 2031 3832 392e 41,-713.53 1829.\n+00023c70: 3939 2c2d 3731 322e 3836 2031 3832 372e 99,-712.86 1827.\n+00023c80: 3236 2c2d 3730 362e 3431 222f 3e0a 3c2f 26,-706.41\"/>.</\n+00023c90: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00023ca0: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n+00023cb0: 6f26 2334 353b 2667 743b 6d6f 6475 6c65 o->module\n+00023cc0: 5f73 7263 5f74 6573 7475 7469 6c73 202d _src_testutils -\n+00023cd0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3235 ->.<g id=\"edge25\n+00023ce0: 3422 2063 6c61 7373 3d22 6564 6765 223e 4\" class=\"edge\">\n+00023cf0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00023d00: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n+00023d10: 6f26 2334 353b 2667 743b 6d6f 6475 6c65 o->module\n+00023d20: 5f73 7263 5f74 6573 7475 7469 6c73 3c2f _src_testutils</\n+00023d30: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00023d40: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00023d50: 2223 3263 6363 3238 2220 7374 726f 6b65 \"#2ccc28\" stroke\n+00023d60: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+00023d70: 2064 3d22 4d31 3832 332e 3737 2c2d 3731 d=\"M1823.77,-71\n+00023d80: 392e 3833 4331 3933 352e 332c 2d37 3138 9.83C1935.3,-718\n+00023d90: 2e38 3420 3233 3537 2e36 2c2d 3731 322e .84 2357.6,-712.\n+00023da0: 3432 2032 3438 332e 3536 2c2d 3637 312e 42 2483.56,-671.\n+00023db0: 3537 2032 3536 352e 3036 2c2d 3634 352e 57 2565.06,-645.\n+00023dc0: 3134 2032 3634 372e 3035 2c2d 3538 322e 14 2647.05,-582.\n+00023dd0: 3539 2032 3638 342e 3531 2c2d 3535 312e 59 2684.51,-551.\n+00023de0: 3533 222f 3e0a 3c70 6f6c 7967 6f6e 2066 53\"/>.<polygon f\n+00023df0: 696c 6c3d 2223 3263 6363 3238 2220 7374 ill=\"#2ccc28\" st\n+00023e00: 726f 6b65 3d22 2332 6363 6332 3822 2070 roke=\"#2ccc28\" p\n+00023e10: 6f69 6e74 733d 2232 3638 362e 3832 2c2d oints=\"2686.82,-\n+00023e20: 3535 342e 3137 2032 3639 322e 3233 2c2d 554.17 2692.23,-\n+00023e30: 3534 352e 3036 2032 3638 322e 3332 2c2d 545.06 2682.32,-\n+00023e40: 3534 382e 3820 3236 3836 2e38 322c 2d35 548.8 2686.82,-5\n+00023e50: 3534 2e31 3722 2f3e 0a3c 2f67 3e0a 3c21 54.17\"/>.</g>.<!\n+00023e60: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+00023e70: 6f6d 6163 735f 6669 6c65 696f 2623 3435 omacs_fileio-\n+00023e80: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00023e90: 6772 6f6d 6163 735f 6d64 7479 7065 7320 gromacs_mdtypes \n+00023ea0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n+00023eb0: 3437 2220 636c 6173 733d 2265 6467 6522 47\" class=\"edge\"\n+00023ec0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00023ed0: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n+00023ee0: 696f 2623 3435 3b26 6774 3b6d 6f64 756c io->modul\n+00023ef0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00023f00: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types...<\n+00024040: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_grom\n+00024250: 6163 735f 6669 6c65 696f 2623 3435 3b26 acs_fileio-&\n+00024260: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00024270: 6f6d 6163 735f 636f 6d70 6174 3c2f 7469 omacs_compat......modu\n+00024420: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+00024430: 696c 6569 6f26 2334 353b 2667 743b 6d6f ileio->mo\n+00024440: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00024450: 5f74 7261 6a65 6374 6f72 793c 2f74 6974 _trajectory</tit\n+00024460: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00024470: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+00024480: 6662 6662 6622 2064 3d22 4d31 3832 322e fbfbf\" d=\"M1822.\n+00024490: 382c 2d37 3137 2e35 4331 3837 342e 3635 8,-717.5C1874.65\n+000244a0: 2c2d 3731 322e 3035 2031 3938 372e 3634 ,-712.05 1987.64\n+000244b0: 2c2d 3639 372e 3435 2032 3031 352e 3536 ,-697.45 2015.56\n+000244c0: 2c2d 3637 312e 3537 2032 3036 312e 3333 ,-671.57 2061.33\n+000244d0: 2c2d 3632 392e 3135 2032 3039 362e 3235 ,-629.15 2096.25\n+000244e0: 2c2d 3433 342e 3233 2032 3130 372e 3036 ,-434.23 2107.06\n+000244f0: 2c2d 3336 372e 3337 222f 3e0a 3c70 6f6c ,-367.37\"/>.<pol\n+00024500: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n+00024510: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n+00024520: 6662 6622 2070 6f69 6e74 733d 2232 3131 fbf\" points=\"211\n+00024530: 302e 3532 2c2d 3336 372e 3837 2032 3130 0.52,-367.87 210\n+00024540: 382e 3634 2c2d 3335 372e 3434 2032 3130 8.64,-357.44 210\n+00024550: 332e 3631 2c2d 3336 362e 3737 2032 3131 3.61,-366.77 211\n+00024560: 302e 3532 2c2d 3336 372e 3837 222f 3e0a 0.52,-367.87\"/>.\n+00024570: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00024580: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n+00024590: 6569 6f26 2334 353b 2667 743b 6d6f 6475 eio->modu\n+000245a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+000245b0: 6473 7061 6e20 2d2d 3e0a 3c67 2069 643d dspan -->.<g id=\n+000245c0: 2265 6467 6532 3439 2220 636c 6173 733d \"edge249\" class=\n+000245d0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+000245e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000245f0: 735f 6669 6c65 696f 2623 3435 3b26 6774 s_fileio->\n+00024600: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00024610: 6163 735f 6d64 7370 616e 3c2f 7469 746c acs_mdspan</titl\n+00024620: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00024630: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+00024640: 3266 6363 2220 643d 224d 3138 3232 2e39 2fcc\" d=\"M1822.9\n+00024650: 362c 2d37 3137 2e33 3943 3139 3336 2e37 6,-717.39C1936.7\n+00024660: 372c 2d37 3035 2e35 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78,-175.81 2424.\n+00024750: 3031 2c2d 3137 302e 3234 222f 3e0a 3c2f 01,-170.24\"/>.</\n+00024760: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00024770: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n+00024780: 6f26 2334 353b 2667 743b 6d6f 6475 6c65 o->module\n+00024790: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+000247a0: 6c69 6220 2d2d 3e0a 3c67 2069 643d 2265 lib -->.<g id=\"e\n+000247b0: 6467 6532 3531 2220 636c 6173 733d 2265 dge251\" class=\"e\n+000247c0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+000247d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000247e0: 6669 6c65 696f 2623 3435 3b26 6774 3b6d fileio->m\n+000247f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00024800: 735f 676d 786c 6962 3c2f 7469 746c 653e s_gmxlib\n+00024810: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n+00024980: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..\n+000249f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00024a00: 6373 5f66 696c 6569 6f26 2334 353b 2667 cs_fileio-&g\n+00024a10: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00024a20: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n+00024a30: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y.....<\n+00024c40: 6720 6964 3d22 6564 6765 3234 3622 2063 g id=\"edge246\" c\n+00024c50: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00024c70: 726f 6d61 6373 5f66 696c 6569 6f26 2334 romacs_fileio\n+00024c80: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00024c90: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n+00024ca0: 5f66 6f72 6365 735f 6177 683c 2f74 6974 _forces_awh......module_src_gr\n+00024e60: 6f6d 6163 735f 636f 7272 656c 6174 696f omacs_correlatio\n+00024e70: 6e66 756e 6374 696f 6e73 2623 3435 3b26 nfunctions-&\n+00024e80: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00024e90: 6f6d 6163 735f 6666 743c 2f74 6974 6c65 omacs_fft......m\n+00025310: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00025320: 735f 636f 7272 656c 6174 696f 6e66 756e s_correlationfun\n+00025330: 6374 696f 6e73 2623 3435 3b26 6774 3b6d ctions->m\n+00025340: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00025350: 735f 6669 6c65 696f 3c2f 7469 746c 653e s_fileio\n+00025360: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module\n+000254c0: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n+000254d0: 6c69 6564 5f66 6f72 6365 735f 6177 6826 lied_forces_awh&\n+000254e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000254f0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+00025500: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es.....<\n+00025670: 6720 6964 3d22 6564 6765 3236 3322 2063 g id=\"edge263\" c\n+00025680: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+000256a0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+000256b0: 6f72 6365 735f 6177 6826 2334 353b 2667 orces_awh-&g\n+000256c0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000256d0: 6d61 6373 5f72 616e 646f 6d3c 2f74 6974 macs_random..\n+000257d0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n+00025850: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00025860: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n+00025870: 735f 6177 6826 2334 353b 2667 743b 6d6f s_awh->mo\n+00025880: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00025890: 5f74 7261 6a65 6374 6f72 793c 2f74 6974 _trajectory</tit\n+000258a0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+000258b0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+000258c0: 6662 6662 6622 2064 3d22 4d32 3035 362e fbfbf\" d=\"M2056.\n+000258d0: 3637 2c2d 3339 342e 3439 4332 3036 362e 67,-394.49C2066.\n+000258e0: 3031 2c2d 3338 352e 3837 2032 3037 392e 01,-385.87 2079.\n+000258f0: 3135 2c2d 3337 332e 3736 2032 3039 302e 15,-373.76 2090.\n+00025900: 3131 2c2d 3336 332e 3634 222f 3e0a 3c70 11,-363.64\"/>.<p\n+00025910: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+00025920: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+00025930: 6662 6662 6622 2070 6f69 6e74 733d 2232 fbfbf\" points=\"2\n+00025940: 3039 322e 3635 2c2d 3336 362e 3036 2032 092.65,-366.06 2\n+00025950: 3039 372e 3633 2c2d 3335 362e 3731 2032 097.63,-356.71 2\n+00025960: 3038 372e 392c 2d33 3630 2e39 3220 3230 087.9,-360.92 20\n+00025970: 3932 2e36 352c 2d33 3636 2e30 3622 2f3e 92.65,-366.06\"/>\n+00025980: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00025990: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n+000259a0: 706c 6965 645f 666f 7263 6573 5f61 7768 plied_forces_awh\n+000259b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000259c0: 7372 635f 6772 6f6d 6163 735f 6d64 7370 src_gromacs_mdsp\n+000259d0: 616e 202d 2d3e 0a3c 6720 6964 3d22 6564 an -->.<g id=\"ed\n+000259e0: 6765 3236 3622 2063 6c61 7373 3d22 6564 ge266\" class=\"ed\n+000259f0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00025a00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+00025a10: 7070 6c69 6564 5f66 6f72 6365 735f 6177 pplied_forces_aw\n+00025a20: 6826 2334 353b 2667 743b 6d6f 6475 6c65 h->module\n+00025a30: 5f73 7263 5f67 726f 6d61 6373 5f6d 6473 _src_gromacs_mds\n+00025a40: 7061 6e3c 2f74 6974 6c65 3e0a 3c70 6174 pan...\n+00025b70: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modul\n+00025bf0: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n+00025c00: 706c 6965 645f 666f 7263 6573 5f61 7768 plied_forces_awh\n+00025c10: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00025c20: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+00025c30: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib......module\n+00025dd0: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n+00025de0: 6c69 6564 5f66 6f72 6365 735f 6177 6826 lied_forces_awh&\n+00025df0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00025e00: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+00025e10: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n+00025e20: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n+00025ed0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....mo\n+00025fc0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00025fd0: 5f61 7070 6c69 6564 5f66 6f72 6365 735f _applied_forces_\n+00025fe0: 6177 6826 2334 353b 2667 743b 6d6f 6475 awh->modu\n+00025ff0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+00026000: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70 ileio......modul\n+00026170: 655f 7372 635f 7072 6f67 7261 6d73 5f6d e_src_programs_m\n+00026180: 6472 756e 5f74 6573 7473 3c2f 7469 746c drun_tests</titl\n+00026190: 653e 0a3c 6720 6964 3d22 615f 6e6f 6465 e>.<g id=\"a_node\n+000261a0: 3530 223e 3c61 2078 6c69 6e6b 3a68 7265 50\"><a xlink:hre\n+000261b0: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65 f=\"group__module\n+000261c0: 5f5f 6d64 7275 6e5f 5f69 6e74 6567 7261 __mdrun__integra\n+000261d0: 7469 6f6e 5f5f 7465 7374 732e 7868 746d tion__tests.xhtm\n+000261e0: 6c22 2074 6172 6765 743d 225f 746f 7022 l\" target=\"_top\"\n+000261f0: 2078 6c69 6e6b 3a74 6974 6c65 3d22 6d64 xlink:title=\"md\n+00026200: 7275 6e5f 696e 7465 6772 6174 696f 6e5f run_integration_\n+00026210: 7465 7374 7322 3e0a 3c65 6c6c 6970 7365 tests\">.<ellipse\n+00026220: 2066 696c 6c3d 2223 6535 6363 6666 2220 fill=\"#e5ccff\" \n+00026230: 7374 726f 6b65 3d22 626c 6163 6b22 2063 stroke=\"black\" c\n+00026240: 783d 2238 352e 3536 2220 6379 3d22 2d31 x=\"85.56\" cy=\"-1\n+00026250: 3033 352e 3336 2220 7278 3d22 3835 2e36 035.36\" rx=\"85.6\n+00026260: 3222 2072 793d 2231 332e 3337 222f 3e0a 2\" ry=\"13.37\"/>.\n+00026270: 3c74 6578 7420 7465 7874 2d61 6e63 686f <text text-ancho\n+00026280: 723d 226d 6964 646c 6522 2078 3d22 3835 r=\"middle\" x=\"85\n+00026290: 2e35 3622 2079 3d22 2d31 3033 322e 3836 .56\" y=\"-1032.86\n+000262a0: 2220 666f 6e74 2d66 616d 696c 793d 2246 \" font-family=\"F\n+000262b0: 7265 6553 616e 7322 2066 6f6e 742d 7369 reeSans\" font-si\n+000262c0: 7a65 3d22 3130 2e30 3022 3e6d 6472 756e ze=\"10.00\">mdrun\n+000262d0: 5f69 6e74 6567 7261 7469 6f6e 5f74 6573 _integration_tes\n+000262e0: 7473 3c2f 7465 7874 3e0a 3c2f 613e 0a3c ts</text>.</a>.<\n+000262f0: 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f /g>.</g>.<!-- mo\n+00026300: 6475 6c65 5f73 7263 5f70 726f 6772 616d dule_src_program\n+00026310: 735f 6d64 7275 6e5f 7465 7374 7326 2334 s_mdrun_tests\n+00026320: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00026330: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n+00026340: 726f 6365 7373 202d 2d3e 0a3c 6720 6964 rocess -->.<g id\n+00026350: 3d22 6564 6765 3237 3522 2063 6c61 7373 =\"edge275\" class\n+00026360: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+00026370: 6d6f 6475 6c65 5f73 7263 5f70 726f 6772 module_src_progr\n+00026380: 616d 735f 6d64 7275 6e5f 7465 7374 7326 ams_mdrun_tests&\n+00026390: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000263a0: 7263 5f67 726f 6d61 6373 5f67 6d78 7072 rc_gromacs_gmxpr\n+000263b0: 6570 726f 6365 7373 3c2f 7469 746c 653e eprocess\n+000263c0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n+00026470: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_pro\n+000267d0: 6772 616d 735f 6d64 7275 6e5f 7465 7374 grams_mdrun_test\n+000267e0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+000267f0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00026800: 616e 613c 2f74 6974 6c65 3e0a 3c70 6174 ana..\n+00026960: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module\n+000269e0: 5f73 7263 5f70 726f 6772 616d 735f 6d64 _src_programs_md\n+000269f0: 7275 6e5f 7465 7374 7326 2334 353b 2667 run_tests-&g\n+00026a00: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00026a10: 6d61 6373 5f74 7261 6a65 6374 6f72 793c macs_trajectory<\n+00026a20: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00026a30: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00026a40: 3d22 2332 6363 6332 3822 2073 7472 6f6b =\"#2ccc28\" strok\n+00026a50: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+00026a60: 2220 643d 224d 3134 332e 3535 2c2d 3130 \" d=\"M143.55,-10\n+00026a70: 3235 2e33 3743 3135 342e 3138 2c2d 3130 25.37C154.18,-10\n+00026a80: 3234 2031 3635 2e31 382c 2d31 3032 322e 24 165.18,-1022.\n+00026a90: 3736 2031 3735 2e35 362c 2d31 3032 312e 76 175.56,-1021.\n+00026aa0: 3932 2034 3635 2e31 362c 2d39 3938 2e33 92 465.16,-998.3\n+00026ab0: 3920 3235 3734 2e30 362c 2d31 3035 392e 9 2574.06,-1059.\n+00026ac0: 3431 2032 3738 352e 3536 2c2d 3836 302e 41 2785.56,-860.\n+00026ad0: 3138 2032 3835 312e 3532 2c2d 3739 382e 18 2851.52,-798.\n+00026ae0: 3034 2032 3831 392e 3536 2c2d 3734 392e 04 2819.56,-749.\n+00026af0: 3736 2032 3831 392e 3536 2c2d 3635 392e 76 2819.56,-659.\n+00026b00: 3134 2032 3831 392e 3536 2c2d 3635 392e 14 2819.56,-659.\n+00026b10: 3134 2032 3831 392e 3536 2c2d 3635 392e 14 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['update', ['../classgmx_1_1IRestraintPotential.xhtml#a6bc44212f005dbc7a03acf9a76b1074d', 1, 'gmx::IRestraintPotential::update()'],\n"}]}, {"source1": "./usr/share/doc/gromacs/html/doxygen/xml/index.xml.gz", "source2": "./usr/share/doc/gromacs/html/doxygen/xml/index.xml.gz", "unified_diff": null, "details": [{"source1": "index.xml", "source2": "index.xml", "unified_diff": null, "details": [{"source1": "index.xml", "source2": "index.xml", "comments": ["Ordering differences only"], "unified_diff": "@@ -72347,14 +72347,20 @@\n \n main\n \n \n \n abstractdata.cpp\n \n+ \n+ arraydata.cpp\n+ \n+ \n+ arraydata.cpp\n+ \n \n dataframe.cpp\n \n \n datamodule.cpp\n \n \n@@ -72413,20 +72419,14 @@\n \n \n analysisdata.cpp\n \n \n analysisdata.cpp\n \n- \n- arraydata.cpp\n- \n- \n- arraydata.cpp\n- \n \n datatest.cpp\n \n \n datatest.h\n \n \n@@ -72437,26 +72437,38 @@\n \n \n awh.cpp\n \n \n awh.h\n \n+ \n+ bias.cpp\n+ \n+ \n+ bias.cpp\n+ \n \n bias.h\n \n \n biasgrid.h\n \n \n biasparams.cpp\n \n \n biasparams.h\n \n+ \n+ biassharing.cpp\n+ \n+ \n+ biassharing.cpp\n+ \n \n biassharing.h\n \n \n biasstate.h\n \n \n@@ -72512,35 +72524,23 @@\n \n \n awh_setup.cpp\n \n \n awh_setup.h\n \n- \n- bias.cpp\n- \n- \n- bias.cpp\n- \n \n bias_fep_lambda_state.cpp\n \n \n biasgrid.cpp\n \n \n biasgrid.cpp\n \n- \n- biassharing.cpp\n- \n- \n- biassharing.cpp\n- \n \n biasstate.cpp\n \n \n biasstate.cpp\n \n \n@@ -72572,14 +72572,20 @@\n \n \n colvarsMDModule.h\n \n \n colvarsMDModule_stub.cpp\n \n+ \n+ colvarsoptions.cpp\n+ \n+ \n+ colvarsoptions.cpp\n+ \n \n colvarsoptions.h\n \n \n colvarspreprocessor.h\n \n \n@@ -72587,47 +72593,41 @@\n \n \n colvarssimulationsparameters.h\n \n \n colvars.cpp\n \n- \n- colvarsoptions.cpp\n- \n- \n- colvarsoptions.cpp\n- \n \n colvarspreprocessor.cpp\n \n \n colvarspreprocessor.cpp\n \n- \n- densityfitting.cpp\n- \n- \n- densityfitting.cpp\n- \n \n densityfitting.h\n \n- \n- densityfittingamplitudelookup.h\n+ \n+ densityfittingamplitudelookup.cpp\n \n- \n- densityfittingforceprovider.cpp\n+ \n+ densityfittingamplitudelookup.cpp\n \n- \n- densityfittingforceprovider.cpp\n+ \n+ densityfittingamplitudelookup.h\n \n \n densityfittingforceprovider.h\n \n+ \n+ densityfittingoptions.cpp\n+ \n+ \n+ densityfittingoptions.cpp\n+ \n \n densityfittingoptions.h\n \n \n densityfittingoutputprovider.cpp\n \n \n@@ -72635,25 +72635,31 @@\n \n \n densityfittingparameters.cpp\n \n \n densityfittingparameters.h\n \n- \n- densityfittingamplitudelookup.cpp\n+ \n+ densityfitting.cpp\n \n- \n- densityfittingamplitudelookup.cpp\n+ \n+ densityfitting.cpp\n \n- \n- densityfittingoptions.cpp\n+ \n+ densityfittingforceprovider.cpp\n \n- \n- densityfittingoptions.cpp\n+ \n+ densityfittingforceprovider.cpp\n+ \n+ \n+ electricfield.cpp\n+ \n+ \n+ electricfield.cpp\n \n \n electricfield.h\n \n \n qmmm.h\n \n@@ -72665,14 +72671,20 @@\n \n \n qmmminputgenerator.h\n \n \n qmmmoptions.h\n \n+ \n+ qmmmtopologypreprocessor.cpp\n+ \n+ \n+ qmmmtopologypreprocessor.cpp\n+ \n \n qmmmtopologypreprocessor.h\n \n \n qmmmtypes.h\n \n \n@@ -72695,35 +72707,29 @@\n \n \n qmmmoptions.cpp\n \n \n qmmmoptions.cpp\n \n- \n- qmmmtopologypreprocessor.cpp\n- \n- \n- qmmmtopologypreprocessor.cpp\n- \n- \n- electricfield.cpp\n- \n- \n- electricfield.cpp\n- \n \n cmdlinehelpcontext.cpp\n \n \n cmdlinehelpcontext.h\n \n \n cmdlinehelpmodule.h\n \n+ \n+ cmdlinehelpwriter.cpp\n+ \n+ \n+ cmdlinehelpwriter.cpp\n+ \n \n cmdlinehelpwriter.h\n \n \n cmdlineinit.cpp\n \n gmx_run_cmain\n@@ -72737,26 +72743,38 @@\n \n \n cmdlinemodule.cpp\n \n \n cmdlinemodule.h\n \n+ \n+ cmdlinemodulemanager.cpp\n+ \n+ \n+ cmdlinemodulemanager.cpp\n+ \n \n cmdlinemodulemanager.h\n \n \n cmdlinemodulemanager_impl.h\n \n \n cmdlineoptionsmodule.cpp\n \n \n cmdlineoptionsmodule.h\n \n+ \n+ cmdlineparser.cpp\n+ \n+ \n+ cmdlineparser.cpp\n+ \n \n cmdlineparser.h\n \n \n cmdlineprogramcontext.cpp\n \n \n@@ -72767,71 +72785,14 @@\n \n TEST_SYMLINKS\n \n \n \n cmdlineprogramcontext.h\n \n- \n- filenm.cpp\n- \n- IS_SET\n- \n- \n- IS_OPT\n- \n- \n- getFileOption\n- \n- \n- opt2fn\n- \n- \n- opt2fns\n- \n- \n- opt2fnsIfOptionSet\n- \n- \n- ftp2fn\n- \n- \n- ftp2fns\n- \n- \n- ftp2bSet\n- \n- \n- opt2bSet\n- \n- \n- opt2fn_null\n- \n- \n- ftp2fn_null\n- \n- \n- is_optional\n- \n- \n- is_output\n- \n- \n- is_set\n- \n- \n- hasSuffixFromNoAppend\n- \n- \n- add_suffix_to_output_names\n- \n- \n- \n- filenm.cpp\n- \n \n filenm.h\n \n ffSET\n \n \n ffREAD\n@@ -73025,37 +72986,76 @@\n \n \n cmdlinehelpmodule.cpp\n \n \n cmdlinehelpmodule.cpp\n \n- \n- cmdlinehelpwriter.cpp\n- \n- \n- cmdlinehelpwriter.cpp\n- \n- \n- cmdlinemodulemanager.cpp\n- \n- \n- cmdlinemodulemanager.cpp\n- \n \n cmdlinemodulemanagertest.cpp\n \n \n cmdlinemodulemanagertest.h\n \n- \n- cmdlineparser.cpp\n+ \n+ filenm.cpp\n+ \n+ IS_SET\n+ \n+ \n+ IS_OPT\n+ \n+ \n+ getFileOption\n+ \n+ \n+ opt2fn\n+ \n+ \n+ opt2fns\n+ \n+ \n+ opt2fnsIfOptionSet\n+ \n+ \n+ ftp2fn\n+ \n+ \n+ ftp2fns\n+ \n+ \n+ ftp2bSet\n+ \n+ \n+ opt2bSet\n+ \n+ \n+ opt2fn_null\n+ \n+ \n+ ftp2fn_null\n+ \n+ \n+ is_optional\n+ \n+ \n+ is_output\n+ \n+ \n+ is_set\n+ \n+ \n+ hasSuffixFromNoAppend\n+ \n+ \n+ add_suffix_to_output_names\n+ \n \n- \n- cmdlineparser.cpp\n+ \n+ filenm.cpp\n \n \n viewit.cpp\n \n canViewFileType\n \n \n@@ -74552,41 +74552,14 @@\n \n dd_make_local_vsites\n \n \n init_domdec_vsites\n \n \n- \n- dump.cpp\n- \n- write_dd_grid_pdb\n- \n- \n- write_dd_pdb\n- \n- \n- \n- dump.cpp\n- \n- \n- dump.cpp\n- \n- \n- dump.h\n- \n- write_dd_grid_pdb\n- \n- \n- write_dd_pdb\n- \n- \n- \n- dump.h\n- \n \n ga2la.cpp\n \n directListIsFaster\n \n \n \n@@ -75047,26 +75020,26 @@\n \n \n analysismodule.h\n \n \n energyanalysisframe.h\n \n- \n- energyterm.cpp\n- \n- \n- energyterm.cpp\n- \n \n energyterm.h\n \n \n ienergyanalysis.h\n \n+ \n+ energyterm.cpp\n+ \n+ \n+ energyterm.cpp\n+ \n \n legacyenergy.cpp\n \n \n edsam.cpp\n \n t_edpar\n@@ -77042,41 +77015,14 @@\n \n \n calcgrid.h\n \n calcFftGrid\n \n \n- \n- fft.cpp\n- \n- gmx_many_fft_t\n- \n- \n- gmx_fft_init_many_1d\n- \n- \n- gmx_fft_init_many_1d_real\n- \n- \n- gmx_fft_many_1d\n- \n- \n- gmx_fft_many_1d_real\n- \n- \n- gmx_many_fft_destroy\n- \n- \n- gmx_fft_transpose_2d\n- \n- \n- \n- fft.cpp\n- \n \n fft.h\n \n gmx_fft_direction\n \n \n GMX_FFT_FORWARD\n@@ -77489,14 +77435,41 @@\n \n gmx_parallel_3dfft_execute\n \n \n gmx_parallel_3dfft_destroy\n \n \n+ \n+ fft.cpp\n+ \n+ gmx_many_fft_t\n+ \n+ \n+ gmx_fft_init_many_1d\n+ \n+ \n+ gmx_fft_init_many_1d_real\n+ \n+ \n+ gmx_fft_many_1d\n+ \n+ \n+ gmx_fft_many_1d_real\n+ \n+ \n+ gmx_many_fft_destroy\n+ \n+ \n+ gmx_fft_transpose_2d\n+ \n+ \n+ \n+ fft.cpp\n+ \n \n fft_mpi.cpp\n \n \n checkpoint.h\n \n GMX_IGNORE_FSYNC_FAILURE_ENV\n@@ -79058,20 +79031,38 @@\n \n gmx_md5_append\n \n \n gmx_md5_finish\n \n \n+ \n+ mrcdensitymap.cpp\n+ \n+ \n+ mrcdensitymap.cpp\n+ \n \n mrcdensitymap.h\n \n+ \n+ mrcdensitymapheader.cpp\n+ \n+ \n+ mrcdensitymapheader.cpp\n+ \n \n mrcdensitymapheader.h\n \n+ \n+ mrcserializer.cpp\n+ \n+ \n+ mrcserializer.cpp\n+ \n \n mrcserializer.h\n \n \n mtxio.cpp\n \n GMX_MTXIO_MAGIC_NUMBER\n@@ -79232,14 +79223,89 @@\n \n gmx_conect_generate\n \n \n gmx_fprintf_pdb_atomline\n \n \n+ \n+ readinp.cpp\n+ \n+ read_inpfile\n+ \n+ \n+ flatKeyValueTreeFromInpFile\n+ \n+ \n+ sort_inp\n+ \n+ \n+ write_inpfile\n+ \n+ \n+ replace_inp_entry\n+ \n+ \n+ search_einp\n+ \n+ \n+ mark_einp_set\n+ \n+ \n+ get_einp\n+ \n+ \n+ get_eint\n+ \n+ \n+ get_eint\n+ \n+ \n+ get_eint64\n+ \n+ \n+ get_eint64\n+ \n+ \n+ get_ereal\n+ \n+ \n+ get_ereal\n+ \n+ \n+ get_estr\n+ \n+ \n+ get_estr\n+ \n+ \n+ get_eeenum\n+ \n+ \n+ get_eeenum\n+ \n+ \n+ get_eenum\n+ \n+ \n+ printStringNewline\n+ \n+ \n+ printStringNoNewline\n+ \n+ \n+ setStringEntry\n+ \n+ \n+ setStringEntry\n+ \n+ \n+ \n+ readinp.cpp\n+ \n \n readinp.h\n \n WriteMdpHeader\n \n \n no\n@@ -79931,107 +79997,14 @@\n \n fn2ftp\n \n \n \n filetypes.cpp\n \n- \n- mrcdensitymap.cpp\n- \n- \n- mrcdensitymap.cpp\n- \n- \n- mrcdensitymapheader.cpp\n- \n- \n- mrcdensitymapheader.cpp\n- \n- \n- mrcserializer.cpp\n- \n- \n- mrcserializer.cpp\n- \n- \n- readinp.cpp\n- \n- read_inpfile\n- \n- \n- flatKeyValueTreeFromInpFile\n- \n- \n- sort_inp\n- \n- \n- write_inpfile\n- \n- \n- replace_inp_entry\n- \n- \n- search_einp\n- \n- \n- mark_einp_set\n- \n- \n- get_einp\n- \n- \n- get_eint\n- \n- \n- get_eint\n- \n- \n- get_eint64\n- \n- \n- get_eint64\n- \n- \n- get_ereal\n- \n- \n- get_ereal\n- \n- \n- get_estr\n- \n- \n- get_estr\n- \n- \n- get_eeenum\n- \n- \n- get_eeenum\n- \n- \n- get_eenum\n- \n- \n- printStringNewline\n- \n- \n- printStringNoNewline\n- \n- \n- setStringEntry\n- \n- \n- setStringEntry\n- \n- \n- \n- readinp.cpp\n- \n \n timecontrol.cpp\n \n \n timecontrol.cpp\n \n timecontrol\n@@ -82349,80 +82322,14 @@\n \n dump_axes\n \n \n gmx_bundle\n \n \n- \n- gmx_chi.cpp\n- \n- INDEX\n- \n- \n- NKKKPHI\n- \n- \n- NKKKPSI\n- \n- \n- NKKKCHI\n- \n- \n- NJC\n- \n- \n- NLEG\n- \n- \n- NFILE\n- \n- \n- bAllowed\n- \n- \n- make_chi_ind\n- \n- \n- do_dihcorr\n- \n- \n- copy_dih_data\n- \n- \n- dump_em_all\n- \n- \n- reset_one\n- \n- \n- reset_em_all\n- \n- \n- histogramming\n- \n- \n- rama_file\n- \n- \n- do_rama\n- \n- \n- print_transitions\n- \n- \n- order_params\n- \n- \n- gmx_chi\n- \n- \n- \n- gmx_chi.cpp\n- \n \n gmx_cluster.cpp\n \n NFILE\n \n \n lo_ffprintf\n@@ -83480,14 +83387,47 @@\n \n tot_nmat\n \n \n gmx_mdmat\n \n \n+ \n+ gmx_mindist.cpp\n+ \n+ NSHIFT_MAX\n+ \n+ \n+ NFILE\n+ \n+ \n+ periodic_dist\n+ \n+ \n+ periodic_mindist_plot\n+ \n+ \n+ calc_dist\n+ \n+ \n+ dist_plot\n+ \n+ \n+ find_residues\n+ \n+ \n+ dump_res\n+ \n+ \n+ gmx_mindist\n+ \n+ \n+ \n+ gmx_mindist.cpp\n+ \n \n gmx_nmeig.cpp\n \n NFILE\n \n \n cv_corr\n@@ -83978,14 +83918,62 @@\n \n process_tcaf\n \n \n gmx_tcaf\n \n \n+ \n+ gmx_traj.cpp\n+ \n+ NFILE\n+ \n+ \n+ low_print_data\n+ \n+ \n+ average_data\n+ \n+ \n+ print_data\n+ \n+ \n+ write_trx_x\n+ \n+ \n+ make_legend\n+ \n+ \n+ ekrot\n+ \n+ \n+ ektrans\n+ \n+ \n+ temp\n+ \n+ \n+ remove_jump\n+ \n+ \n+ write_pdb_bfac\n+ \n+ \n+ update_histo\n+ \n+ \n+ print_histo\n+ \n+ \n+ gmx_traj\n+ \n+ \n+ \n+ gmx_traj.cpp\n+ \n \n gmx_trjorder.cpp\n \n NFILE\n \n \n order\n@@ -84935,94 +84923,79 @@\n \n compute_scattering_factor_table\n \n \n \n entropy.cpp\n \n- \n- gmx_mindist.cpp\n- \n- NSHIFT_MAX\n- \n- \n- NFILE\n- \n- \n- periodic_dist\n- \n- \n- periodic_mindist_plot\n+ \n+ gmx_chi.cpp\n+ \n+ INDEX\n \n- \n- calc_dist\n+ \n+ NKKKPHI\n \n- \n- dist_plot\n+ \n+ NKKKPSI\n \n- \n- find_residues\n+ \n+ NKKKCHI\n \n- \n- dump_res\n+ \n+ NJC\n \n- \n- gmx_mindist\n+ \n+ NLEG\n \n- \n- \n- gmx_mindist.cpp\n- \n- \n- gmx_traj.cpp\n- \n+ \n NFILE\n \n- \n- low_print_data\n+ \n+ bAllowed\n \n- \n- average_data\n+ \n+ make_chi_ind\n \n- \n- print_data\n+ \n+ do_dihcorr\n \n- \n- write_trx_x\n+ \n+ copy_dih_data\n \n- \n- make_legend\n+ \n+ dump_em_all\n \n- \n- ekrot\n+ \n+ reset_one\n \n- \n- ektrans\n+ \n+ reset_em_all\n \n- \n- temp\n+ \n+ histogramming\n \n- \n- remove_jump\n+ \n+ rama_file\n \n- \n- write_pdb_bfac\n+ \n+ do_rama\n \n- \n- update_histo\n+ \n+ print_transitions\n \n- \n- print_histo\n+ \n+ order_params\n \n- \n- gmx_traj\n+ \n+ gmx_chi\n \n \n- \n- gmx_traj.cpp\n+ \n+ gmx_chi.cpp\n \n \n thermochemistry.cpp\n \n eigenvalueToFrequency\n \n \n@@ -86078,14 +86051,32 @@\n \n \n gen_ad.h\n \n gen_pad\n \n \n+ \n+ gen_maxwell_velocities.cpp\n+ \n+ low_mspeed\n+ \n+ \n+ maxwell_speed\n+ \n+ \n+ calc_cm\n+ \n+ \n+ stop_cm\n+ \n+ \n+ \n+ gen_maxwell_velocities.cpp\n+ \n \n gen_maxwell_velocities.h\n \n maxwell_speed\n \n \n stop_cm\n@@ -86282,20 +86273,68 @@\n \n \n genhydro.h\n \n add_h\n \n \n+ \n+ genion.cpp\n+ \n+ NFILE\n+ \n+ \n+ groupsCloserThanCutoffWithPbc\n+ \n+ \n+ solventMoleculeIndices\n+ \n+ \n+ insert_ion\n+ \n+ \n+ aname\n+ \n+ \n+ sort_ions\n+ \n+ \n+ update_topol\n+ \n+ \n+ invertIndexGroup\n+ \n+ \n+ gmx_genion\n+ \n+ \n+ \n+ genion.cpp\n+ \n \n genion.h\n \n gmx_genion\n \n \n+ \n+ genrestr.cpp\n+ \n+ npargs\n+ \n+ \n+ NFILE\n+ \n+ \n+ gmx_genrestr\n+ \n+ \n+ \n+ genrestr.cpp\n+ \n \n genrestr.h\n \n gmx_genrestr\n \n \n \n@@ -86792,14 +86831,20 @@\n \n \n makeexclusiondistances.h\n \n makeExclusionDistances\n \n \n+ \n+ massrepartitioning.cpp\n+ \n+ \n+ massrepartitioning.cpp\n+ \n \n massrepartitioning.h\n \n \n nm2type.cpp\n \n prev\n@@ -86852,14 +86897,20 @@\n \n \n notset.h\n \n NOTSET\n \n \n+ \n+ pdb2gmx.cpp\n+ \n+ \n+ pdb2gmx.cpp\n+ \n \n pdb2gmx.h\n \n \n pdb2top.cpp\n \n NUM_CMAP_ATOMS\n@@ -87029,14 +87080,161 @@\n \n search_atom\n \n \n search_res_atom\n \n \n+ \n+ readir.cpp\n+ \n+ NOGID\n+ \n+ \n+ CHECK\n+ \n+ \n+ GroupCoverage\n+ \n+ \n+ All\n+ \n+ \n+ AllGenerateRest\n+ \n+ \n+ Partial\n+ \n+ \n+ OneGroup\n+ \n+ \n+ inputrecStrings\n+ \n+ \n+ constraints\n+ \n+ \n+ couple_lam\n+ \n+ \n+ init_inputrec_strings\n+ \n+ \n+ done_inputrec_strings\n+ \n+ \n+ getSimTemps\n+ \n+ \n+ _low_check\n+ \n+ \n+ check_nst\n+ \n+ \n+ process_interaction_modifier\n+ \n+ \n+ check_ir\n+ \n+ \n+ parse_n_real\n+ \n+ \n+ do_fep_params\n+ \n+ \n+ do_simtemp_params\n+ \n+ \n+ convertInts\n+ \n+ \n+ convertReals\n+ \n+ \n+ convertRvecs\n+ \n+ \n+ do_wall_params\n+ \n+ \n+ add_wall_energrps\n+ \n+ \n+ read_expandedparams\n+ \n+ \n+ couple_lambda_has_vdw_on\n+ \n+ \n+ get_ir\n+ \n+ \n+ getGroupIndex\n+ \n+ \n+ atomGroupRangeValidation\n+ \n+ \n+ do_numbering\n+ \n+ \n+ calc_nrdf\n+ \n+ \n+ do_egp_flag\n+ \n+ \n+ make_swap_groups\n+ \n+ \n+ make_IMD_group\n+ \n+ \n+ checkAndUpdateVcmFreezeGroupConsistency\n+ \n+ \n+ processEnsembleTemperature\n+ \n+ \n+ do_index\n+ \n+ \n+ check_disre\n+ \n+ \n+ haveAbsoluteReference\n+ \n+ \n+ havePositionRestraints\n+ \n+ \n+ check_combination_rule_differences\n+ \n+ \n+ check_combination_rules\n+ \n+ \n+ allTrue\n+ \n+ \n+ checksForFepLambaLargerOne\n+ \n+ \n+ triple_check\n+ \n+ \n+ double_check\n+ \n+ \n+ \n+ readir.cpp\n+ \n \n readir.h\n \n \n \n \n eshNONE\n@@ -87329,32 +87527,14 @@\n \n filter_ter\n \n \n choose_ter\n \n \n- \n- gen_maxwell_velocities.cpp\n- \n- low_mspeed\n- \n- \n- maxwell_speed\n- \n- \n- calc_cm\n- \n- \n- stop_cm\n- \n- \n- \n- gen_maxwell_velocities.cpp\n- \n \n genconf.cpp\n \n NFILE\n \n \n rand_rot\n@@ -87362,62 +87542,14 @@\n \n gmx_genconf\n \n \n \n genconf.cpp\n \n- \n- genion.cpp\n- \n- NFILE\n- \n- \n- groupsCloserThanCutoffWithPbc\n- \n- \n- solventMoleculeIndices\n- \n- \n- insert_ion\n- \n- \n- aname\n- \n- \n- sort_ions\n- \n- \n- update_topol\n- \n- \n- invertIndexGroup\n- \n- \n- gmx_genion\n- \n- \n- \n- genion.cpp\n- \n- \n- genrestr.cpp\n- \n- npargs\n- \n- \n- NFILE\n- \n- \n- gmx_genrestr\n- \n- \n- \n- genrestr.cpp\n- \n \n gpp_atomtype.cpp\n \n search_atomtypes\n \n \n \n@@ -87464,173 +87596,14 @@\n \n insert_mols\n \n \n \n insert_molecules.cpp\n \n- \n- massrepartitioning.cpp\n- \n- \n- massrepartitioning.cpp\n- \n- \n- pdb2gmx.cpp\n- \n- \n- pdb2gmx.cpp\n- \n- \n- readir.cpp\n- \n- NOGID\n- \n- \n- CHECK\n- \n- \n- GroupCoverage\n- \n- \n- All\n- \n- \n- AllGenerateRest\n- \n- \n- Partial\n- \n- \n- OneGroup\n- \n- \n- inputrecStrings\n- \n- \n- constraints\n- \n- \n- couple_lam\n- \n- \n- init_inputrec_strings\n- \n- \n- done_inputrec_strings\n- \n- \n- getSimTemps\n- \n- \n- _low_check\n- \n- \n- check_nst\n- \n- \n- process_interaction_modifier\n- \n- \n- check_ir\n- \n- \n- parse_n_real\n- \n- \n- do_fep_params\n- \n- \n- do_simtemp_params\n- \n- \n- convertInts\n- \n- \n- convertReals\n- \n- \n- convertRvecs\n- \n- \n- do_wall_params\n- \n- \n- add_wall_energrps\n- \n- \n- read_expandedparams\n- \n- \n- couple_lambda_has_vdw_on\n- \n- \n- get_ir\n- \n- \n- getGroupIndex\n- \n- \n- atomGroupRangeValidation\n- \n- \n- do_numbering\n- \n- \n- calc_nrdf\n- \n- \n- do_egp_flag\n- \n- \n- make_swap_groups\n- \n- \n- make_IMD_group\n- \n- \n- checkAndUpdateVcmFreezeGroupConsistency\n- \n- \n- processEnsembleTemperature\n- \n- \n- do_index\n- \n- \n- check_disre\n- \n- \n- haveAbsoluteReference\n- \n- \n- havePositionRestraints\n- \n- \n- check_combination_rule_differences\n- \n- \n- check_combination_rules\n- \n- \n- allTrue\n- \n- \n- checksForFepLambaLargerOne\n- \n- \n- triple_check\n- \n- \n- double_check\n- \n- \n- \n- readir.cpp\n- \n \n solvate.cpp\n \n NFILE\n \n \n sort_molecule\n@@ -88892,20 +88865,14 @@\n \n GMX_IS_X86_32\n \n \n GMX_IS_X86_64\n \n \n- \n- cpuinfo.cpp\n- \n- \n- cpuinfo.cpp\n- \n \n cpuinfo.h\n \n \n detecthardware.cpp\n \n \n@@ -89279,14 +89246,20 @@\n \n \n device_management_sycl_intel_device_ids.h\n \n getIntelHardwareVersionFromPciExpressID\n \n \n+ \n+ hardwaretopology.cpp\n+ \n+ \n+ hardwaretopology.cpp\n+ \n \n hardwaretopology.h\n \n \n hw_info.h\n \n ThreadAffinity\n@@ -89339,14 +89312,20 @@\n \n \n simd_support.cpp\n \n \n simd_support.h\n \n+ \n+ cpuinfo.cpp\n+ \n+ \n+ cpuinfo.cpp\n+ \n \n device_management.cpp\n \n findDevices\n \n \n setActiveDevice\n@@ -89360,20 +89339,14 @@\n \n isDeviceDetectionFunctional\n \n \n \n device_management.cpp\n \n- \n- hardwaretopology.cpp\n- \n- \n- hardwaretopology.cpp\n- \n \n mockhardwaretopology.cpp\n \n \n imd.cpp\n \n \n@@ -89426,35 +89399,14 @@\n \n eigensolver\n \n \n sparse_eigensolver\n \n \n- \n- matrix.h\n- \n- alloc_matrix\n- \n- \n- free_matrix\n- \n- \n- matrix_multiply\n- \n- \n- matrix_invert\n- \n- \n- multi_regression\n- \n- \n- \n- matrix.h\n- \n \n sparsematrix.h\n \n gmx_sparsematrix_entry_t\n \n \n gmx_sparsematrix_t\n@@ -89477,44 +89429,14 @@\n \n gmx_sparsematrix_compress\n \n \n gmx_sparsematrix_vector_multiply\n \n \n- \n- matrix.cpp\n- \n- DEBUG_MATRIX\n- \n- \n- alloc_matrix\n- \n- \n- free_matrix\n- \n- \n- matrix_multiply\n- \n- \n- dump_matrix\n- \n- \n- matrix_invert\n- \n- \n- multi_regression\n- \n- \n- \n- matrix.cpp\n- \n- \n- matrix.cpp\n- \n \n sparsematrix.cpp\n \n gmx_sparsematrix_init\n \n \n gmx_sparsematrix_destroy\n@@ -89789,34 +89711,46 @@\n \n print_orires_log\n \n \n orires\n \n \n- \n- pairs.h\n- \n- do_pairs\n+ \n+ pairs.cpp\n+ \n+ warning_rlimit\n \n- \n- \n- position_restraints.cpp\n- \n- posres_wrapper\n+ \n+ evaluate_single\n \n- \n- posres_wrapper_lambda\n+ \n+ sixthRoot\n \n- \n- fbposres_wrapper\n+ \n+ free_energy_evaluate_single\n+ \n+ \n+ do_pairs_general\n+ \n+ \n+ do_pairs_simple\n+ \n+ \n+ do_pairs\n \n \n- \n- position_restraints.cpp\n+ \n+ pairs.cpp\n+ \n+ \n+ pairs.h\n+ \n+ do_pairs\n+ \n \n \n position_restraints.h\n \n posres_wrapper\n \n \n@@ -89867,82 +89801,28 @@\n \n nrnbIndex\n \n \n \n bonded.cpp\n \n- \n- pairs.cpp\n- \n- warning_rlimit\n- \n- \n- evaluate_single\n- \n- \n- sixthRoot\n- \n- \n- free_energy_evaluate_single\n- \n- \n- do_pairs_general\n- \n- \n- do_pairs_simple\n- \n- \n- do_pairs\n- \n- \n- \n- pairs.cpp\n- \n- \n- utilities.h\n- \n- MathOptimization\n- \n- \n- Safe\n- \n- \n- Unsafe\n- \n- \n- gmx_within_tol\n- \n- \n- gmx_numzero\n- \n- \n- check_int_multiply_for_overflow\n- \n- \n- gmx_feenableexcept\n- \n- \n- gmx_fedisableexcept\n+ \n+ position_restraints.cpp\n+ \n+ posres_wrapper\n \n- \n- gmxShouldEnableFPExceptions\n+ \n+ posres_wrapper_lambda\n \n- \n- \n- utilities.h\n- \n- ftype_is_bonded_potential\n+ \n+ fbposres_wrapper\n \n \n- \n- utilities.h\n- \n- genQmmmIndices\n- \n+ \n+ position_restraints.cpp\n \n \n 3dtransforms.cpp\n \n N\n \n \n@@ -89966,14 +89846,26 @@\n \n gmx_mat4_print\n \n \n gmx_vec4_print\n \n \n+ \n+ densityfit.cpp\n+ \n+ \n+ densityfit.cpp\n+ \n+ \n+ densityfittingforce.cpp\n+ \n+ \n+ densityfittingforce.cpp\n+ \n \n do_fit.cpp\n \n calc_similar_ind\n \n \n rmsdev_ind\n@@ -89999,20 +89891,14 @@\n \n reset_x_ndim\n \n \n reset_x\n \n \n- \n- functions.cpp\n- \n- \n- functions.cpp\n- \n \n 3dtransforms.h\n \n WW\n \n \n vec4\n@@ -90098,14 +89984,35 @@\n \n operator!=\n \n \n \n invertmatrix.h\n \n+ \n+ matrix.h\n+ \n+ alloc_matrix\n+ \n+ \n+ free_matrix\n+ \n+ \n+ matrix_multiply\n+ \n+ \n+ matrix_invert\n+ \n+ \n+ multi_regression\n+ \n+ \n+ \n+ matrix.h\n+ \n \n multidimarray.h\n \n \n neldermead.h\n \n \n@@ -90158,19 +90065,19 @@\n \n pr_dvec\n \n \n pr_rvecs\n \n \n- \n- neldermead.cpp\n+ \n+ invertmatrix.cpp\n \n- \n- neldermead.cpp\n+ \n+ invertmatrix.cpp\n \n \n nrjac.cpp\n \n do_rotate\n \n \n@@ -90200,86 +90107,83 @@\n \n \n coordinatetransformation.cpp\n \n \n coordinatetransformation.cpp\n \n- \n- densityfit.cpp\n- \n- \n- densityfit.cpp\n- \n- \n- densityfittingforce.cpp\n- \n- \n- densityfittingforce.cpp\n- \n \n dofit.cpp\n \n \n exponentialmovingaverage.cpp\n \n \n exponentialmovingaverage.cpp\n \n+ \n+ functions.cpp\n+ \n+ \n+ functions.cpp\n+ \n \n gausstransform.cpp\n \n \n gausstransform.cpp\n \n- \n- invertmatrix.cpp\n+ \n+ matrix.cpp\n+ \n+ DEBUG_MATRIX\n+ \n+ \n+ alloc_matrix\n+ \n+ \n+ free_matrix\n+ \n+ \n+ matrix_multiply\n+ \n+ \n+ dump_matrix\n+ \n+ \n+ matrix_invert\n+ \n+ \n+ multi_regression\n+ \n \n- \n- invertmatrix.cpp\n+ \n+ matrix.cpp\n+ \n+ \n+ matrix.cpp\n \n \n multidimarray.cpp\n \n+ \n+ neldermead.cpp\n+ \n+ \n+ neldermead.cpp\n+ \n \n paddedvector.cpp\n \n \n testarrayrefs.h\n \n \n vectypes.cpp\n \n- \n- utilities.cpp\n- \n- gmx_within_tol\n- \n- \n- gmx_numzero\n- \n- \n- check_int_multiply_for_overflow\n- \n- \n- gmx_feenableexcept\n- \n- \n- gmx_fedisableexcept\n- \n- \n- gmxShouldEnableFPExceptions\n- \n- \n- \n- utilities.cpp\n- \n- genQmmmIndices\n- \n- \n \n veccompare.cpp\n \n cmp_rvec\n \n \n cmp_ivec\n@@ -90368,107 +90272,14 @@\n \n broadcastStateWithoutDynamics\n \n \n init_parallel\n \n \n- \n- calc_verletbuf.cpp\n- \n- verletbufGetListSetup\n- \n- \n- verletbufGetSafeListSetup\n- \n- \n- getMass\n- \n- \n- get_vsite_masses\n- \n- \n- getResolutions\n- \n- \n- getVerletBufferAtomtypes\n- \n- \n- constrained_atom_sigma2\n- \n- \n- get_atom_sigma2\n- \n- \n- approx_2dof\n- \n- \n- energyDriftAtomPair\n- \n- \n- energyDrift\n- \n- \n- surface_frac\n- \n- \n- md3_force_switch\n- \n- \n- getVdwDerivatives\n- \n- \n- getElecDerivatives\n- \n- \n- displacementVariance\n- \n- \n- maxSigma\n- \n- \n- computeEffectiveAtomDensity\n- \n- \n- computeEffectiveAtomDensity\n- \n- \n- getForceDerivatives\n- \n- \n- pressureError\n- \n- \n- calcVerletBufferSize\n- \n- \n- verletBufferPressureError\n- \n- \n- minCellSizeFromPairlistBuffer\n- \n- \n- chanceOfAtomCrossingCell\n- \n- \n- getAtomConstraintProps\n- \n- \n- chanceOfUpdateGroupCrossingCell\n- \n- \n- chanceOfUpdateGroupCrossingCell\n- \n- \n- minCellSizeForAtomDisplacement\n- \n- \n- \n- calc_verletbuf.cpp\n- \n \n calc_verletbuf.h\n \n ChanceTarget\n \n \n Atom\n@@ -90557,14 +90368,23 @@\n \n \n compute_io.h\n \n compute_io\n \n \n+ \n+ constr.cpp\n+ \n+ \n+ constr.cpp\n+ \n+ PrintTo\n+ \n+ \n \n constr.h\n \n \n constraint_gpu_helpers.cpp\n \n countCoupled\n@@ -90854,14 +90674,44 @@\n \n addCorrectionBeyondCutoff\n \n \n \n dispersioncorrection.h\n \n+ \n+ ebin.cpp\n+ \n+ mk_ebin\n+ \n+ \n+ done_ebin\n+ \n+ \n+ get_ebin_space\n+ \n+ \n+ add_ebin\n+ \n+ \n+ add_ebin_indexed\n+ \n+ \n+ ebin_increase_count\n+ \n+ \n+ reset_ebin_sums\n+ \n+ \n+ pr_ebin\n+ \n+ \n+ \n+ ebin.cpp\n+ \n \n ebin.h\n \n \n \n \n eprNORMAL\n@@ -90938,20 +90788,14 @@\n \n accumulatePotentialEnergies\n \n \n accumulateKineticLambdaComponents\n \n \n- \n- energydrifttracker.cpp\n- \n- \n- energydrifttracker.cpp\n- \n \n energydrifttracker.h\n \n \n energyoutput.h\n \n \n@@ -91868,14 +91712,20 @@\n \n \n rf_util.h\n \n calc_rffac\n \n \n+ \n+ settle.cpp\n+ \n+ \n+ settle.cpp\n+ \n \n settle.h\n \n \n settle_gpu.cpp\n \n \n@@ -92144,14 +91994,107 @@\n \n \n stophandler.cpp\n \n \n stophandler.h\n \n+ \n+ calc_verletbuf.cpp\n+ \n+ verletbufGetListSetup\n+ \n+ \n+ verletbufGetSafeListSetup\n+ \n+ \n+ getMass\n+ \n+ \n+ get_vsite_masses\n+ \n+ \n+ getResolutions\n+ \n+ \n+ getVerletBufferAtomtypes\n+ \n+ \n+ constrained_atom_sigma2\n+ \n+ \n+ get_atom_sigma2\n+ \n+ \n+ approx_2dof\n+ \n+ \n+ energyDriftAtomPair\n+ \n+ \n+ energyDrift\n+ \n+ \n+ surface_frac\n+ \n+ \n+ md3_force_switch\n+ \n+ \n+ getVdwDerivatives\n+ \n+ \n+ getElecDerivatives\n+ \n+ \n+ displacementVariance\n+ \n+ \n+ maxSigma\n+ \n+ \n+ computeEffectiveAtomDensity\n+ \n+ \n+ computeEffectiveAtomDensity\n+ \n+ \n+ getForceDerivatives\n+ \n+ \n+ pressureError\n+ \n+ \n+ calcVerletBufferSize\n+ \n+ \n+ verletBufferPressureError\n+ \n+ \n+ minCellSizeFromPairlistBuffer\n+ \n+ \n+ chanceOfAtomCrossingCell\n+ \n+ \n+ getAtomConstraintProps\n+ \n+ \n+ chanceOfUpdateGroupCrossingCell\n+ \n+ \n+ chanceOfUpdateGroupCrossingCell\n+ \n+ \n+ minCellSizeForAtomDisplacement\n+ \n+ \n+ \n+ calc_verletbuf.cpp\n+ \n \n calcvir.cpp\n \n upd_vir\n \n \n calc_x_times_f\n@@ -92162,23 +92105,14 @@\n \n f_calc_vir\n \n \n \n calcvir.cpp\n \n- \n- constr.cpp\n- \n- \n- constr.cpp\n- \n- PrintTo\n- \n- \n \n constrtestdata.cpp\n \n \n constrtestdata.h\n \n \n@@ -92189,43 +92123,19 @@\n \n GPU_CONSTRAINTS_SUPPORTED\n \n \n \n constrtestrunners_gpu.cpp\n \n- \n- ebin.cpp\n- \n- mk_ebin\n- \n- \n- done_ebin\n- \n- \n- get_ebin_space\n- \n- \n- add_ebin\n- \n- \n- add_ebin_indexed\n- \n- \n- ebin_increase_count\n- \n- \n- reset_ebin_sums\n- \n- \n- pr_ebin\n- \n+ \n+ energydrifttracker.cpp\n \n- \n- ebin.cpp\n+ \n+ energydrifttracker.cpp\n \n \n energyoutput.cpp\n \n conrmsd_nm\n \n \n@@ -92342,20 +92252,14 @@\n \n \n mdgpugraph.cpp\n \n \n parrinellorahman.cpp\n \n- \n- settle.cpp\n- \n- \n- settle.cpp\n- \n \n settletestdata.cpp\n \n \n settletestdata.h\n \n \n@@ -92378,20 +92282,14 @@\n \n \n simulationsignal.cpp\n \n \n simulationsignal.cpp\n \n- \n- updategroups.cpp\n- \n- \n- updategroups.cpp\n- \n \n updategroupscog.cpp\n \n \n updategroupscog.cpp\n \n \n@@ -92624,14 +92522,20 @@\n \n integrateVVFirstStep\n \n \n integrateVVSecondStep\n \n \n+ \n+ updategroups.cpp\n+ \n+ \n+ updategroups.cpp\n+ \n \n updategroups.h\n \n \n updategroupscog.h\n \n \n@@ -93344,14 +93248,20 @@\n \n rvec5\n \n \n t_disresdata\n \n \n+ \n+ forcebuffers.cpp\n+ \n+ \n+ forcebuffers.cpp\n+ \n \n forcebuffers.h\n \n \n forceoutput.h\n \n \n@@ -93779,14 +93689,20 @@\n \n t_mdatoms\n \n \n \n mdrunoptions.h\n \n+ \n+ multipletimestepping.cpp\n+ \n+ \n+ multipletimestepping.cpp\n+ \n \n multipletimestepping.h\n \n \n nblist.h\n \n \n@@ -93989,26 +93905,14 @@\n \n swaphistory_t\n \n \n \n enerdata.cpp\n \n- \n- forcebuffers.cpp\n- \n- \n- forcebuffers.cpp\n- \n- \n- multipletimestepping.cpp\n- \n- \n- multipletimestepping.cpp\n- \n \n threaded_force_buffer.cpp\n \n \n threaded_force_buffer.h\n \n \n@@ -94016,14 +93920,83 @@\n \n \n communicator.h\n \n \n communicator_stub.cpp\n \n+ \n+ utilities.cpp\n+ \n+ gmx_within_tol\n+ \n+ \n+ gmx_numzero\n+ \n+ \n+ check_int_multiply_for_overflow\n+ \n+ \n+ gmx_feenableexcept\n+ \n+ \n+ gmx_fedisableexcept\n+ \n+ \n+ gmxShouldEnableFPExceptions\n+ \n+ \n+ \n+ utilities.cpp\n+ \n+ genQmmmIndices\n+ \n+ \n+ \n+ utilities.h\n+ \n+ MathOptimization\n+ \n+ \n+ Safe\n+ \n+ \n+ Unsafe\n+ \n+ \n+ gmx_within_tol\n+ \n+ \n+ gmx_numzero\n+ \n+ \n+ check_int_multiply_for_overflow\n+ \n+ \n+ gmx_feenableexcept\n+ \n+ \n+ gmx_fedisableexcept\n+ \n+ \n+ gmxShouldEnableFPExceptions\n+ \n+ \n+ \n+ utilities.h\n+ \n+ ftype_is_bonded_potential\n+ \n+ \n+ \n+ utilities.h\n+ \n+ genQmmmIndices\n+ \n+ \n \n andersentemperaturecoupling.cpp\n \n \n andersentemperaturecoupling.h\n \n \n@@ -96275,55 +96248,55 @@\n \n spc27Box\n \n \n spc27Coordinates\n \n \n- \n- helpformat.h\n+ \n+ helpformat.cpp\n \n- \n- helpmanager.cpp\n+ \n+ helpformat.cpp\n \n- \n- helpmanager.cpp\n+ \n+ helpformat.h\n \n \n helpmanager.h\n \n \n helptopic.cpp\n \n \n helptopic.h\n \n+ \n+ helpwritercontext.cpp\n+ \n+ \n+ helpwritercontext.cpp\n+ \n \n helpwritercontext.h\n \n \n ihelptopic.h\n \n \n rstparser.cpp\n \n \n rstparser.h\n \n- \n- helpformat.cpp\n- \n- \n- helpformat.cpp\n- \n- \n- helpwritercontext.cpp\n+ \n+ helpmanager.cpp\n \n- \n- helpwritercontext.cpp\n+ \n+ helpmanager.cpp\n \n \n mock_helptopic.cpp\n \n \n mock_helptopic.h\n \n@@ -96350,19 +96323,19 @@\n \n \n behaviorcollection.cpp\n \n \n behaviorcollection.h\n \n- \n- filenameoptionmanager.cpp\n+ \n+ filenameoption.cpp\n \n- \n- filenameoptionmanager.cpp\n+ \n+ filenameoption.cpp\n \n \n filenameoptionstorage.h\n \n \n isectionstorage.h\n \n@@ -96401,19 +96374,19 @@\n \n \n repeatingsection.h\n \n \n abstractoptionstorage.cpp\n \n- \n- filenameoption.cpp\n+ \n+ filenameoptionmanager.cpp\n \n- \n- filenameoption.cpp\n+ \n+ filenameoptionmanager.cpp\n \n \n option.cpp\n \n \n repeatingsection.cpp\n \n@@ -96740,14 +96713,20 @@\n \n \n pbc_simd.cpp\n \n set_pbc_simd\n \n \n+ \n+ pbcenums.cpp\n+ \n+ \n+ pbcenums.cpp\n+ \n \n pbcmethods.cpp\n \n calc_pbc_cluster\n \n \n put_molecule_com_in_box\n@@ -96869,20 +96848,14 @@\n \n unshift_self\n \n \n \n mshift.cpp\n \n- \n- pbcenums.cpp\n- \n- \n- pbcenums.cpp\n- \n \n pull.h\n \n c_pullGroupPbcMargin\n \n \n c_pullGroupSmallGroupThreshold\n@@ -97031,164 +97004,14 @@\n \n pull_print_output\n \n \n initPullHistory\n \n \n- \n- pull.cpp\n- \n- Lock\n- \n- \n- sc_isAngleType\n- \n- \n- registrationMutex\n- \n- \n- groupPbcFromParams\n- \n- \n- pull_coordinate_is_directional\n- \n- \n- pull_coordinate_units\n- \n- \n- pull_conversion_factor_userinput2internal\n- \n- \n- pull_conversion_factor_internal2userinput\n- \n- \n- apply_forces_grp_part\n- \n- \n- apply_forces_grp\n- \n- \n- apply_forces_cyl_grp\n- \n- \n- apply_forces_vec_torque\n- \n- \n- apply_forces_coord\n- \n- \n- max_pull_distance2\n- \n- \n- low_get_pull_coord_dr\n- \n- \n- get_pull_coord_dr\n- \n- \n- make_periodic_2pi\n- \n- \n- sanitizePullCoordReferenceValue\n- \n- \n- updatePullCoordReferenceValue\n- \n- \n- get_dihedral_angle_coord\n- \n- \n- get_pull_coord_distance\n- \n- \n- get_pull_coord_deviation\n- \n- \n- get_pull_coord_value\n- \n- \n- get_pull_coord_value\n- \n- \n- clear_pull_forces\n- \n- \n- do_constraint\n- \n- \n- add_virial_coord_dr\n- \n- \n- add_virial_coord\n- \n- \n- calc_pull_coord_scalar_force_and_potential\n- \n- \n- calculateVectorForces\n- \n- \n- register_external_pull_potential\n- \n- \n- check_external_potential_registration\n- \n- \n- apply_external_pull_coord_force\n- \n- \n- do_pull_pot_coord\n- \n- \n- pull_potential\n- \n- \n- pull_apply_forces\n- \n- \n- pull_constraint\n- \n- \n- dd_make_local_pull_groups\n- \n- \n- init_pull_group_index\n- \n- \n- init_pull\n- \n- \n- destroy_pull\n- \n- \n- preparePrevStepPullComNewSimulation\n- \n- \n- preparePrevStepPullCom\n- \n- \n- finish_pull\n- \n- \n- pull_have_potential\n- \n- \n- pull_have_constraint\n- \n- \n- pull_have_constraint\n- \n- \n- \n- pull.cpp\n- \n- \n- pull.cpp\n- \n \n pull_internal.h\n \n \n \n \n epgrppbcNONE\n@@ -97517,14 +97340,164 @@\n \n allocStatePrevStepPullCom\n \n \n initPullComFromPrevStep\n \n \n+ \n+ pull.cpp\n+ \n+ Lock\n+ \n+ \n+ sc_isAngleType\n+ \n+ \n+ registrationMutex\n+ \n+ \n+ groupPbcFromParams\n+ \n+ \n+ pull_coordinate_is_directional\n+ \n+ \n+ pull_coordinate_units\n+ \n+ \n+ pull_conversion_factor_userinput2internal\n+ \n+ \n+ pull_conversion_factor_internal2userinput\n+ \n+ \n+ apply_forces_grp_part\n+ \n+ \n+ apply_forces_grp\n+ \n+ \n+ apply_forces_cyl_grp\n+ \n+ \n+ apply_forces_vec_torque\n+ \n+ \n+ apply_forces_coord\n+ \n+ \n+ max_pull_distance2\n+ \n+ \n+ low_get_pull_coord_dr\n+ \n+ \n+ get_pull_coord_dr\n+ \n+ \n+ make_periodic_2pi\n+ \n+ \n+ sanitizePullCoordReferenceValue\n+ \n+ \n+ updatePullCoordReferenceValue\n+ \n+ \n+ get_dihedral_angle_coord\n+ \n+ \n+ get_pull_coord_distance\n+ \n+ \n+ get_pull_coord_deviation\n+ \n+ \n+ get_pull_coord_value\n+ \n+ \n+ get_pull_coord_value\n+ \n+ \n+ clear_pull_forces\n+ \n+ \n+ do_constraint\n+ \n+ \n+ add_virial_coord_dr\n+ \n+ \n+ add_virial_coord\n+ \n+ \n+ calc_pull_coord_scalar_force_and_potential\n+ \n+ \n+ calculateVectorForces\n+ \n+ \n+ register_external_pull_potential\n+ \n+ \n+ check_external_potential_registration\n+ \n+ \n+ apply_external_pull_coord_force\n+ \n+ \n+ do_pull_pot_coord\n+ \n+ \n+ pull_potential\n+ \n+ \n+ pull_apply_forces\n+ \n+ \n+ pull_constraint\n+ \n+ \n+ dd_make_local_pull_groups\n+ \n+ \n+ init_pull_group_index\n+ \n+ \n+ init_pull\n+ \n+ \n+ destroy_pull\n+ \n+ \n+ preparePrevStepPullComNewSimulation\n+ \n+ \n+ preparePrevStepPullCom\n+ \n+ \n+ finish_pull\n+ \n+ \n+ pull_have_potential\n+ \n+ \n+ pull_have_constraint\n+ \n+ \n+ pull_have_constraint\n+ \n+ \n+ \n+ pull.cpp\n+ \n+ \n+ pull.cpp\n+ \n \n transformationcoordinate.cpp\n \n \n transformationcoordinate.h\n \n \n@@ -98057,14 +98030,20 @@\n \n _gmx_sel_mempool_alloc_group\n \n \n _gmx_sel_mempool_free_group\n \n \n+ \n+ nbsearch.cpp\n+ \n+ \n+ nbsearch.cpp\n+ \n \n params.cpp\n \n gmx_ana_selparam_find\n \n \n convert_value\n@@ -98591,20 +98570,14 @@\n \n \n selectionfileoption.h\n \n \n selectionfileoptionstorage.h\n \n- \n- selectionoption.cpp\n- \n- \n- selectionoption.cpp\n- \n \n selectionoptionbehavior.cpp\n \n \n selectionoptionmanager.cpp\n \n \n@@ -99830,20 +99803,14 @@\n \n gmx_ana_indexmap_deinit\n \n \n \n indexutil.cpp\n \n- \n- nbsearch.cpp\n- \n- \n- nbsearch.cpp\n- \n \n poscalc.cpp\n \n index_type_for_poscalc\n \n \n set_poscalc_maxindex\n@@ -99890,14 +99857,20 @@\n \n \n selectioncollection.cpp\n \n \n selectioncollection.cpp\n \n+ \n+ selectionoption.cpp\n+ \n+ \n+ selectionoption.cpp\n+ \n \n toputils.cpp\n \n \n toputils.h\n \n \n@@ -100058,14 +100031,50 @@\n \n \n scalar_math.h\n \n \n scalar_util.h\n \n+ \n+ simd_math.h\n+ \n+ \n+ simd_memory.h\n+ \n+ \n+ vector_operations.h\n+ \n+ \n+ base.cpp\n+ \n+ \n+ base.h\n+ \n+ GMX_SIMD_ACCURACY_BITS_REAL\n+ \n+ \n+ \n+ bootstrap_loadstore.cpp\n+ \n+ \n+ data.h\n+ \n+ \n+ scalar.cpp\n+ \n+ \n+ scalar_math.cpp\n+ \n+ \n+ scalar_util.cpp\n+ \n+ \n+ simd.cpp\n+ \n \n simd.h\n \n GMX_SIMD_HAVE_REAL\n \n \n GMX_SIMD_REAL_WIDTH\n@@ -100106,50 +100115,14 @@\n \n GMX_SIMD4N_REAL_WIDTH\n \n \n \n simd.h\n \n- \n- simd_math.h\n- \n- \n- simd_memory.h\n- \n- \n- vector_operations.h\n- \n- \n- base.cpp\n- \n- \n- base.h\n- \n- GMX_SIMD_ACCURACY_BITS_REAL\n- \n- \n- \n- bootstrap_loadstore.cpp\n- \n- \n- data.h\n- \n- \n- scalar.cpp\n- \n- \n- scalar_math.cpp\n- \n- \n- scalar_util.cpp\n- \n- \n- simd.cpp\n- \n \n simd4.cpp\n \n \n simd4.h\n \n \n@@ -101456,14 +101429,26 @@\n \n print_runtime_info\n \n \n \n convert_tpr.h\n \n+ \n+ dump.h\n+ \n+ write_dd_grid_pdb\n+ \n+ \n+ write_dd_pdb\n+ \n+ \n+ \n+ dump.h\n+ \n \n eneconv.cpp\n \n TIME_EXPLICIT\n \n \n TIME_CONTINUE\n@@ -101615,26 +101600,35 @@\n \n \n pme_error.h\n \n gmx_pme_error\n \n \n- \n- report_methods.cpp\n- \n- \n- report_methods.cpp\n- \n \n report_methods.h\n \n \n convert-tpr.cpp\n \n+ \n+ dump.cpp\n+ \n+ write_dd_grid_pdb\n+ \n+ \n+ write_dd_pdb\n+ \n+ \n+ \n+ dump.cpp\n+ \n+ \n+ dump.cpp\n+ \n \n helpwriting.cpp\n \n \n helpwriting.cpp\n \n \n@@ -101738,14 +101732,20 @@\n \n gmx_make_ndx\n \n \n \n make_ndx.cpp\n \n+ \n+ report_methods.cpp\n+ \n+ \n+ report_methods.cpp\n+ \n \n trjconv.cpp\n \n \n trjconv.cpp\n \n NPA\n@@ -102305,14 +102305,86 @@\n \n gmx_mtop_bondeds_free_energy\n \n \n gmx_sort_ilist_fe\n \n \n+ \n+ index.cpp\n+ \n+ t_gmx_help_make_index_group\n+ \n+ \n+ gmx_ask_yesno\n+ \n+ \n+ write_index\n+ \n+ \n+ grp_cmp\n+ \n+ \n+ printMoleculeCategoryResidueCounts\n+ \n+ \n+ mk_aid\n+ \n+ \n+ analyse_other\n+ \n+ \n+ analyse_prot\n+ \n+ \n+ analyse\n+ \n+ \n+ check_index\n+ \n+ \n+ init_index\n+ \n+ \n+ minstring\n+ \n+ \n+ indexGroupName\n+ \n+ \n+ indexGroupName\n+ \n+ \n+ findGroupTemplated\n+ \n+ \n+ find_group\n+ \n+ \n+ find_group\n+ \n+ \n+ qgroup\n+ \n+ \n+ rd_groups\n+ \n+ \n+ rd_index\n+ \n+ \n+ get_index\n+ \n+ \n+ cluster_index\n+ \n+ \n+ \n+ index.cpp\n+ \n \n invblock.cpp\n \n make_invblock\n \n \n \n@@ -102545,86 +102617,14 @@\n \n \n exclusionblocks.cpp\n \n \n exclusionblocks.cpp\n \n- \n- index.cpp\n- \n- t_gmx_help_make_index_group\n- \n- \n- gmx_ask_yesno\n- \n- \n- write_index\n- \n- \n- grp_cmp\n- \n- \n- printMoleculeCategoryResidueCounts\n- \n- \n- mk_aid\n- \n- \n- analyse_other\n- \n- \n- analyse_prot\n- \n- \n- analyse\n- \n- \n- check_index\n- \n- \n- init_index\n- \n- \n- minstring\n- \n- \n- indexGroupName\n- \n- \n- indexGroupName\n- \n- \n- findGroupTemplated\n- \n- \n- find_group\n- \n- \n- find_group\n- \n- \n- qgroup\n- \n- \n- rd_groups\n- \n- \n- rd_index\n- \n- \n- get_index\n- \n- \n- cluster_index\n- \n- \n- \n- index.cpp\n- \n \n mtop.cpp\n \n \n symtab.cpp\n \n c_trimSize\n@@ -102671,14 +102671,32 @@\n \n pr_symtab\n \n \n \n symtab.cpp\n \n+ \n+ topsort.cpp\n+ \n+ \n+ topsort.cpp\n+ \n+ ip_pert\n+ \n+ \n+ hasPerturbedCharge\n+ \n+ \n+ gmx_mtop_bondeds_free_energy\n+ \n+ \n+ gmx_sort_ilist_fe\n+ \n+ \n \n topology.cpp\n \n shortName\n \n \n gmx_mtop_maxresnr\n@@ -102767,32 +102785,14 @@\n \n getGroupType\n \n \n copy_moltype\n \n \n- \n- topsort.cpp\n- \n- \n- topsort.cpp\n- \n- ip_pert\n- \n- \n- hasPerturbedCharge\n- \n- \n- gmx_mtop_bondeds_free_energy\n- \n- \n- gmx_sort_ilist_fe\n- \n- \n \n energyframe.cpp\n \n \n energyframe.h\n \n \n@@ -103082,14 +103082,20 @@\n \n \n topologyinformation.cpp\n \n \n topologyinformation.cpp\n \n+ \n+ alignedallocator.cpp\n+ \n+ \n+ alignedallocator.cpp\n+ \n \n any.cpp\n \n \n basenetwork.cpp\n \n gmx_mpi_initialized\n@@ -103436,74 +103442,14 @@\n \n gmx_abort\n \n \n \n binaryinformation.h\n \n- \n- bitmask.h\n- \n- BITMASK_SIZE\n- \n- \n- gmx_bitmask_t\n- \n- \n- bitmask_clear\n- \n- \n- bitmask_set_bit\n- \n- \n- bitmask_init_bit\n- \n- \n- bitmask_init_low_bits\n- \n- \n- bitmask_is_set\n- \n- \n- bitmask_is_disjoint\n- \n- \n- bitmask_is_equal\n- \n- \n- bitmask_is_zero\n- \n- \n- bitmask_union\n- \n- \n- to_hex_string\n- \n- \n- to_hex_string\n- \n- \n- to_hex_string\n- \n- \n- \n- bitmask.h\n- \n- BITMASK_CLASSNAME_\n- \n- \n- BITMASK_CLASSNAME\n- \n- \n- BITMASK_TEST_P_\n- \n- \n- BITMASK_TEST_P\n- \n- \n \n booltype.h\n \n \n compare.h\n \n equal_real\n@@ -103940,14 +103886,20 @@\n \n \n typetraits.h\n \n \n init.cpp\n \n+ \n+ inmemoryserializer.cpp\n+ \n+ \n+ inmemoryserializer.cpp\n+ \n \n int64_to_int.cpp\n \n int64_to_int\n \n \n \n@@ -104069,26 +104021,80 @@\n \n gmx_format_current_time\n \n \n gmx_set_nice\n \n \n- \n- alignedallocator.cpp\n- \n- \n- alignedallocator.cpp\n- \n \n alignedallocator_impl.h\n \n \n arrayref.cpp\n \n+ \n+ bitmask.h\n+ \n+ BITMASK_SIZE\n+ \n+ \n+ gmx_bitmask_t\n+ \n+ \n+ bitmask_clear\n+ \n+ \n+ bitmask_set_bit\n+ \n+ \n+ bitmask_init_bit\n+ \n+ \n+ bitmask_init_low_bits\n+ \n+ \n+ bitmask_is_set\n+ \n+ \n+ bitmask_is_disjoint\n+ \n+ \n+ bitmask_is_equal\n+ \n+ \n+ bitmask_is_zero\n+ \n+ \n+ bitmask_union\n+ \n+ \n+ to_hex_string\n+ \n+ \n+ to_hex_string\n+ \n+ \n+ to_hex_string\n+ \n+ \n+ \n+ bitmask.h\n+ \n+ BITMASK_CLASSNAME_\n+ \n+ \n+ BITMASK_CLASSNAME\n+ \n+ \n+ BITMASK_TEST_P_\n+ \n+ \n+ BITMASK_TEST_P\n+ \n+ \n \n bitmask128.cpp\n \n BITMASK_SIZE\n \n \n \n@@ -104177,20 +104183,14 @@\n \n \n enumerationhelpers.cpp\n \n \n fixedcapacityvector.cpp\n \n- \n- inmemoryserializer.cpp\n- \n- \n- inmemoryserializer.cpp\n- \n \n keyvaluetreeserializer.cpp\n \n SERIALIZER\n \n \n \n"}]}]}, {"source1": "./usr/share/doc/gromacs/html/manual-2024.4-Debian_2024.4_1.pdf", "source2": "./usr/share/doc/gromacs/html/manual-2024.4-Debian_2024.4_1.pdf", "unified_diff": null, "details": [{"source1": "pdftotext {} -", "source2": "pdftotext {} -", "unified_diff": "@@ -17645,15 +17645,15 @@\n Dimitrios Karkoulis, Peter Kasson, Sebastian Kehl, Sebastian Keller, Jiri Kraus, Per Larsson, Viveca Lindahl,\n Erik Marklund, Pieter Meulenhoff, Teemu Murtola, Sander Pronk, Michael Shirts, Alfons Sijbers, Balint Soproni, David van der Spoel, Peter Tieleman, Carsten Uphoff, Jon Vincent, Teemu Virolainen, Christian Wennberg,\n Maarten 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 2024:\n+\u00a9 2001 \u2013 2026:\n The GROMACS development teams at the Royal Institute of Technology and Uppsala University,\n Sweden.\n This manual is not complete and has no pretension to be so due to lack of time of the contributors \u2013 our first\n priority is to improve the software. It is worked on continuously, which in some cases might mean the information\n is not entirely correct.\n Comments on form and content are welcome, please send them to the user discussion forum or the developer\n discussion forum (see our webpage or this section on how to contribute (page 621)), 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": "@@ -4353,15 +4353,15 @@\n 00011000: 656d 6973 7472 792c 2055 6e69 7665 7273 emistry, Univers\n 00011010: 6974 7920 6f66 2047 726f 6e69 6e67 656e ity of Groningen\n 00011020: 2e0a 4e69 6a65 6e62 6f72 6768 2034 2c20 ..Nijenborgh 4, \n 00011030: 3937 3437 2041 4720 4772 6f6e 696e 6765 9747 AG Groninge\n 00011040: 6e2c 2054 6865 204e 6574 6865 726c 616e n, The Netherlan\n 00011050: 6473 2e3c 2f70 3e0a 3c2f 6469 763e 3c2f ds.

.
.

.\n-00011070: a920 3230 3031 20e2 8093 2032 3032 343a . 2001 ... 2024:\n+00011070: a920 3230 3031 20e2 8093 2032 3032 363a . 2001 ... 2026:\n 00011080: 3c2f 703e 0a3c 626c 6f63 6b71 756f 7465

..

The GR\n 000110a0: 4f4d 4143 5320 6465 7665 6c6f 706d 656e OMACS developmen\n 000110b0: 7420 7465 616d 7320 6174 2074 6865 2052 t teams at the R\n 000110c0: 6f79 616c 2049 6e73 7469 7475 7465 206f oyal Institute o\n 000110d0: 6620 5465 6368 6e6f 6c6f 6779 2061 6e64 f Technology and\n 000110e0: 0a55 7070 7361 6c61 2055 6e69 7665 7273 .Uppsala Univers\n", "details": [{"source1": "html2text {}", "source2": "html2text {}", "unified_diff": "@@ -442,15 +442,15 @@\n Pieter Meulenhoff, Teemu Murtola, Sander Pronk, Michael Shirts, Alfons Sijbers,\n Balint Soproni, David van der Spoel, Peter Tieleman, Carsten Uphoff, Jon\n 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 2024:\n+\u00a9 2001 \u2013 2026:\n The GROMACS development teams at the Royal Institute of Technology\n and Uppsala University, Sweden.\n This manual is not complete and has no pretension to be so due to lack of time\n of the contributors \u2013 our first priority is to improve the software. It is\n worked on continuously, which in some cases might mean the information is not\n entirely correct.\n Comments on form and content are welcome, please send them to the _\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": "@@ -10871,15 +10871,15 @@\n \"2019\": [31, 39, 194, 205, 238, 239, 240, 241, 258, 264, 265, 266, 267, 268, 281, 293, 357],\n \"2020\": [4, 11, 15, 17, 29, 39, 194, 254, 274, 280, 281, 282, 283, 284, 285, 286, 310, 334, 357],\n \"2021\": [39, 194, 265, 268, 269, 290, 296, 297, 298, 299, 300, 301, 310, 325, 357],\n \"2022\": [0, 17, 28, 29, 39, 270, 284, 285, 306, 312, 313, 314, 315, 316, 317, 326, 357],\n \"2023\": [38, 39, 123, 194, 286, 300, 301, 322, 328, 329, 330, 331, 357],\n \"2024\": [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 226, 227, 228, 229, 230, 231, 232, 233, 234, 235, 236, 237, 238, 239, 240, 241, 242, 243, 244, 245, 246, 247, 248, 249, 250, 251, 252, 253, 254, 255, 256, 257, 258, 259, 260, 261, 262, 263, 264, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, 291, 292, 293, 294, 295, 296, 297, 298, 299, 300, 301, 302, 303, 304, 305, 306, 307, 308, 309, 310, 311, 312, 313, 314, 315, 316, 317, 318, 319, 320, 321, 322, 323, 324, 325, 326, 327, 332, 333, 335, 336, 337, 338, 339, 340, 341, 343, 344, 345, 346, 347, 348, 349, 350, 351, 352, 353, 354, 355, 356, 357, 358, 359, 360, 361],\n \"2025\": [222, 342],\n- \"2026\": 248,\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],\n \"2027\": 248,\n \"2028\": 248,\n \"2029\": 222,\n \"2031\": 241,\n \"2032\": [50, 194, 241],\n \"2033\": 222,\n \"2037\": [222, 238, 249],\n"}]}]}]}]}]}