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| 1 | Package:·gromacs-data | 1 | Package:·gromacs-data |
| 2 | Source:·gromacs | 2 | Source:·gromacs |
| 3 | Version:·2025.2-1 | 3 | Version:·2025.2-1 |
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| 5 | Maintainer:·Debichem·Team·<debichem-devel@lists.alioth.debian.org> | 5 | Maintainer:·Debichem·Team·<debichem-devel@lists.alioth.debian.org> |
| 6 | Installed-Size:·32946 | 6 | Installed-Size:·329465 |
| 7 | Depends:·libjs-mathjax | 7 | Depends:·libjs-mathjax |
| 8 | Recommends:·gromacs | 8 | Recommends:·gromacs |
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| 10 | Priority:·optional | 10 | Priority:·optional |
| 11 | Multi-Arch:·foreign | 11 | Multi-Arch:·foreign |
| 12 | Homepage:·https://www.gromacs.org/ | 12 | Homepage:·https://www.gromacs.org/ |
| 13 | Description:·GROMACS·molecular·dynamics·sim,·data·and·documentation | 13 | Description:·GROMACS·molecular·dynamics·sim,·data·and·documentation |
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| 74 | </div><!--·top·--> | 74 | </div><!--·top·--> |
| 75 | <div><div·class="header"> | 75 | <div><div·class="header"> |
| 76 | ··<div·class="headertitle"><div·class="title">Module·dependency·graph</div></div> | 76 | ··<div·class="headertitle"><div·class="title">Module·dependency·graph</div></div> |
| 77 | </div><!--header--> | 77 | </div><!--header--> |
| 78 | <div·class="contents"> | 78 | <div·class="contents"> |
| 79 | <div·class="textblock"><p>The·graph·below·shows·the·dependencies·between·the·source·code·modules,·computed·from·include·statements·in·the·code.·For·documented·modules·(those·that·do·not·have·a·gray·background),·clicking·on·the·module·takes·you·to·the·module·documentation.·Legend·for·the·graph·can·be·found·below·the·graph.</p> | 79 | <div·class="textblock"><p>The·graph·below·shows·the·dependencies·between·the·source·code·modules,·computed·from·include·statements·in·the·code.·For·documented·modules·(those·that·do·not·have·a·gray·background),·clicking·on·the·module·takes·you·to·the·module·documentation.·Legend·for·the·graph·can·be·found·below·the·graph.</p> |
| 80 | <div·class="dotgraph"> | 80 | <div·class="dotgraph"> |
| 81 | <iframe·scrolling="no"·frameborder="0"·src="dot_module-deps.svg"·width="39 | 81 | <iframe·scrolling="no"·frameborder="0"·src="dot_module-deps.svg"·width="3904"·height="1964"><p><b>This·browser·is·not·able·to·show·SVG:·try·Firefox,·Chrome,·Safari,·or·Opera·instead.</b></p></iframe></div> |
| 82 | ·<h1><a·class="anchor"·id="autotoc_md49"></a> | 82 | ·<h1><a·class="anchor"·id="autotoc_md49"></a> |
| 83 | Legend</h1> | 83 | Legend</h1> |
| 84 | <p>The·graph·below·annotates·the·colors·and·line·styles·used·in·the·module·dependency·graph·above.·More·detailed·textual·annotation·is·below·the·graph.</p> | 84 | <p>The·graph·below·annotates·the·colors·and·line·styles·used·in·the·module·dependency·graph·above.·More·detailed·textual·annotation·is·below·the·graph.</p> |
| 85 | <div·class="dotgraph"> | 85 | <div·class="dotgraph"> |
| 86 | <iframe·scrolling="no"·frameborder="0"·src="dot_inline_dotgraph_2.svg"·width="440"·height="407"><p><b>This·browser·is·not·able·to·show·SVG:·try·Firefox,·Chrome,·Safari,·or·Opera·instead.</b></p></iframe></div> | 86 | <iframe·scrolling="no"·frameborder="0"·src="dot_inline_dotgraph_2.svg"·width="440"·height="407"><p><b>This·browser·is·not·able·to·show·SVG:·try·Firefox,·Chrome,·Safari,·or·Opera·instead.</b></p></iframe></div> |
| 87 | <p>Node·colors:·</p><dl> | 87 | <p>Node·colors:·</p><dl> |
| 88 | <dt>gray·background·</dt> | 88 | <dt>gray·background·</dt> |
| Offset 17659, 15 lines modified | Offset 17659, 15 lines modified | ||
| 17659 | Lindahl,·Erik·Marklund,·Pieter·Meulenhoff,·Teemu·Murtola,·Sander·Pronk,·Alfons·Sijbers,·Balint·Soproni,·David | 17659 | Lindahl,·Erik·Marklund,·Pieter·Meulenhoff,·Teemu·Murtola,·Sander·Pronk,·Alfons·Sijbers,·Balint·Soproni,·David |
| 17660 | van·der·Spoel,·Peter·Tieleman,·Carsten·Uphoff,·Jon·Vincent,·Teemu·Virolainen,·Christian·Wennberg,·Maarten | 17660 | van·der·Spoel,·Peter·Tieleman,·Carsten·Uphoff,·Jon·Vincent,·Teemu·Virolainen,·Christian·Wennberg,·Maarten |
| 17661 | Wolf,·Artem·Zhmurov | 17661 | Wolf,·Artem·Zhmurov |
| 17662 | Project·leaders:·Berk·Hess,·Erik·Lindahl | 17662 | Project·leaders:·Berk·Hess,·Erik·Lindahl |
| 17663 | ©·1991·–·2000: | 17663 | ©·1991·–·2000: |
| 17664 | Department·of·Biophysical·Chemistry,·University·of·Groningen.·Nijenborgh·4,·9747·AG·Groningen, | 17664 | Department·of·Biophysical·Chemistry,·University·of·Groningen.·Nijenborgh·4,·9747·AG·Groningen, |
| 17665 | The·Netherlands. | 17665 | The·Netherlands. |
| 17666 | ©·2001·–·202 | 17666 | ©·2001·–·2026: |
| 17667 | The·GROMACS·development·teams·at·the·Royal·Institute·of·Technology·and·Uppsala·University, | 17667 | The·GROMACS·development·teams·at·the·Royal·Institute·of·Technology·and·Uppsala·University, |
| 17668 | Sweden. | 17668 | Sweden. |
| 17669 | This·manual·is·not·complete·and·has·no·pretension·to·be·so,·due·to·lack·of·time·of·the·contributors·–·our·first | 17669 | This·manual·is·not·complete·and·has·no·pretension·to·be·so,·due·to·lack·of·time·of·the·contributors·–·our·first |
| 17670 | priority·is·to·improve·the·software.·It·is·worked·on·continuously,·which·in·some·cases·might·mean·the·information | 17670 | priority·is·to·improve·the·software.·It·is·worked·on·continuously,·which·in·some·cases·might·mean·the·information |
| 17671 | is·not·entirely·correct. | 17671 | is·not·entirely·correct. |
| 17672 | Comments·on·form·and·content·are·welcome,·please·send·them·to·the·user·discussion·forum·or·the·developer | 17672 | Comments·on·form·and·content·are·welcome,·please·send·them·to·the·user·discussion·forum·or·the·developer |
| 17673 | discussion·forum·(see·our·webpage·or·this·section·on·how·to·contribute·(page·596)),·or·open·an·issue·on·our·issue | 17673 | discussion·forum·(see·our·webpage·or·this·section·on·how·to·contribute·(page·596)),·or·open·an·issue·on·our·issue |
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| 00011710:·7273·6974·7920·6f66·2047·726f·6e69·6e67··rsity·of·Groning | 00011710:·7273·6974·7920·6f66·2047·726f·6e69·6e67··rsity·of·Groning | ||
| 00011720:·656e·2e0a·4e69·6a65·6e62·6f72·6768·2034··en..Nijenborgh·4 | 00011720:·656e·2e0a·4e69·6a65·6e62·6f72·6768·2034··en..Nijenborgh·4 | ||
| 00011730:·2c20·3937·3437·2041·4720·4772·6f6e·696e··,·9747·AG·Gronin | 00011730:·2c20·3937·3437·2041·4720·4772·6f6e·696e··,·9747·AG·Gronin | ||
| 00011740:·6765·6e2c·2054·6865·204e·6574·6865·726c··gen,·The·Netherl | 00011740:·6765·6e2c·2054·6865·204e·6574·6865·726c··gen,·The·Netherl | ||
| 00011750:·616e·6473·2e3c·2f70·3e0a·3c2f·6469·763e··ands.</p>.</div> | 00011750:·616e·6473·2e3c·2f70·3e0a·3c2f·6469·763e··ands.</p>.</div> | ||
| 00011760:·3c2f·626c·6f63·6b71·756f·7465·3e0a·3c70··</blockquote>.<p | 00011760:·3c2f·626c·6f63·6b71·756f·7465·3e0a·3c70··</blockquote>.<p | ||
| 00011770:·3ec2·a920·3230·3031·20e2·8093·2032·3032··>..·2001·...·202 | 00011770:·3ec2·a920·3230·3031·20e2·8093·2032·3032··>..·2001·...·202 | ||
| 00011780:·3 | 00011780:·363a·3c2f·703e·0a3c·626c·6f63·6b71·756f··6:</p>.<blockquo | ||
| 00011790:·7465·3e0a·3c64·6976·3e3c·703e·5468·6520··te>.<div><p>The· | 00011790:·7465·3e0a·3c64·6976·3e3c·703e·5468·6520··te>.<div><p>The· | ||
| 000117a0:·4752·4f4d·4143·5320·6465·7665·6c6f·706d··GROMACS·developm | 000117a0:·4752·4f4d·4143·5320·6465·7665·6c6f·706d··GROMACS·developm | ||
| 000117b0:·656e·7420·7465·616d·7320·6174·2074·6865··ent·teams·at·the | 000117b0:·656e·7420·7465·616d·7320·6174·2074·6865··ent·teams·at·the | ||
| 000117c0:·2052·6f79·616c·2049·6e73·7469·7475·7465···Royal·Institute | 000117c0:·2052·6f79·616c·2049·6e73·7469·7475·7465···Royal·Institute | ||
| 000117d0:·206f·6620·5465·6368·6e6f·6c6f·6779·2061···of·Technology·a | 000117d0:·206f·6620·5465·6368·6e6f·6c6f·6779·2061···of·Technology·a | ||
| 000117e0:·6e64·0a55·7070·7361·6c61·2055·6e69·7665··nd.Uppsala·Unive | 000117e0:·6e64·0a55·7070·7361·6c61·2055·6e69·7665··nd.Uppsala·Unive | ||
| 000117f0:·7273·6974·792c·2053·7765·6465·6e2e·3c2f··rsity,·Sweden.</ | 000117f0:·7273·6974·792c·2053·7765·6465·6e2e·3c2f··rsity,·Sweden.</ |
| Offset 458, 15 lines modified | Offset 458, 15 lines modified | ||
| 458 | Lindahl,·Erik·Marklund,·Pieter·Meulenhoff,·Teemu·Murtola,·Sander·Pronk,·Alfons | 458 | Lindahl,·Erik·Marklund,·Pieter·Meulenhoff,·Teemu·Murtola,·Sander·Pronk,·Alfons |
| 459 | Sijbers,·Balint·Soproni,·David·van·der·Spoel,·Peter·Tieleman,·Carsten·Uphoff, | 459 | Sijbers,·Balint·Soproni,·David·van·der·Spoel,·Peter·Tieleman,·Carsten·Uphoff, |
| 460 | Jon·Vincent,·Teemu·Virolainen,·Christian·Wennberg,·Maarten·Wolf,·Artem·Zhmurov | 460 | Jon·Vincent,·Teemu·Virolainen,·Christian·Wennberg,·Maarten·Wolf,·Artem·Zhmurov |
| 461 | Project·leaders:·Berk·Hess,·Erik·Lindahl | 461 | Project·leaders:·Berk·Hess,·Erik·Lindahl |
| 462 | ©·1991·–·2000: | 462 | ©·1991·–·2000: |
| 463 | ·····Department·of·Biophysical·Chemistry,·University·of·Groningen. | 463 | ·····Department·of·Biophysical·Chemistry,·University·of·Groningen. |
| 464 | ·····Nijenborgh·4,·9747·AG·Groningen,·The·Netherlands. | 464 | ·····Nijenborgh·4,·9747·AG·Groningen,·The·Netherlands. |
| 465 | ©·2001·–·202 | 465 | ©·2001·–·2026: |
| 466 | ·····The·GROMACS·development·teams·at·the·Royal·Institute·of·Technology | 466 | ·····The·GROMACS·development·teams·at·the·Royal·Institute·of·Technology |
| 467 | ·····and·Uppsala·University,·Sweden. | 467 | ·····and·Uppsala·University,·Sweden. |
| 468 | This·manual·is·not·complete·and·has·no·pretension·to·be·so,·due·to·lack·of·time | 468 | This·manual·is·not·complete·and·has·no·pretension·to·be·so,·due·to·lack·of·time |
| 469 | of·the·contributors·–·our·first·priority·is·to·improve·the·software.·It·is | 469 | of·the·contributors·–·our·first·priority·is·to·improve·the·software.·It·is |
| 470 | worked·on·continuously,·which·in·some·cases·might·mean·the·information·is·not | 470 | worked·on·continuously,·which·in·some·cases·might·mean·the·information·is·not |
| 471 | entirely·correct. | 471 | entirely·correct. |
| 472 | Comments·on·form·and·content·are·welcome,·please·send·them·to·the·_\x8u_\x8s_\x8e_\x8r | 472 | Comments·on·form·and·content·are·welcome,·please·send·them·to·the·_\x8u_\x8s_\x8e_\x8r |
| Offset 11123, 15 lines modified | Offset 11123, 15 lines modified | ||
| 11123 | ········"2019":·[30,·38,·193,·204,·239,·240,·241,·242,·259,·265,·266,·267,·268,·269,·282,·294,·372], | 11123 | ········"2019":·[30,·38,·193,·204,·239,·240,·241,·242,·259,·265,·266,·267,·268,·269,·282,·294,·372], |
| 11124 | ········"2020":·[4,·11,·15,·17,·28,·38,·180,·193,·255,·275,·281,·282,·283,·284,·285,·286,·287,·311,·337,·349,·372], | 11124 | ········"2020":·[4,·11,·15,·17,·28,·38,·180,·193,·255,·275,·281,·282,·283,·284,·285,·286,·287,·311,·337,·349,·372], |
| 11125 | ········"2021":·[38,·193,·266,·269,·270,·291,·297,·298,·299,·300,·301,·302,·311,·326,·372], | 11125 | ········"2021":·[38,·193,·266,·269,·270,·291,·297,·298,·299,·300,·301,·302,·311,·326,·372], |
| 11126 | ········"2022":·[0,·17,·27,·28,·38,·271,·285,·286,·307,·313,·314,·315,·316,·317,·318,·327,·372], | 11126 | ········"2022":·[0,·17,·27,·28,·38,·271,·285,·286,·307,·313,·314,·315,·316,·317,·318,·327,·372], |
| 11127 | ········"2023":·[38,·122,·193,·287,·301,·302,·323,·329,·330,·331,·332,·333,·334,·372], | 11127 | ········"2023":·[38,·122,·193,·287,·301,·302,·323,·329,·330,·331,·332,·333,·334,·372], |
| 11128 | ········"2024":·[37,·38,·80,·83,·122,·195,·242,·315,·316,·317,·318,·339,·345,·346,·353,·354,·367], | 11128 | ········"2024":·[37,·38,·80,·83,·122,·195,·242,·315,·316,·317,·318,·339,·345,·346,·353,·354,·367], |
| 11129 | ········"2025":·[0,·1,·2,·3,·4,·5,·6,·7,·8,·9,·10,·11,·12,·13,·14,·15,·16,·17,·18,·19,·20,·21,·22,·23,·24,·25,·26,·27,·28,·29,·30,·31,·32,·33,·34,·35,·36,·37,·38,·39,·40,·41,·42,·43,·44,·45,·46,·47,·48,·49,·50,·51,·52,·53,·54,·55,·56,·57,·58,·59,·60,·61,·62,·63,·64,·65,·66,·67,·68,·69,·70,·71,·72,·73,·74,·75,·76,·77,·78,·79,·80,·81,·82,·83,·84,·85,·86,·87,·88,·89,·90,·91,·92,·93,·94,·95,·96,·97,·98,·99,·100,·101,·102,·103,·104,·105,·106,·107,·108,·109,·110,·111,·112,·113,·114,·115,·116,·117,·118,·119,·120,·121,·122,·123,·124,·125,·126,·127,·128,·129,·130,·131,·132,·133,·134,·135,·136,·137,·138,·139,·140,·141,·142,·143,·144,·145,·146,·147,·148,·149,·150,·151,·152,·153,·154,·155,·156,·157,·158,·159,·160,·161,·162,·163,·164,·165,·166,·167,·168,·169,·170,·171,·172,·173,·174,·175,·176,·177,·178,·179,·180,·181,·182,·183,·184,·185,·186,·187,·188,·189,·190,·191,·192,·193,·194,·195,·196,·197,·198,·199,·200,·201,·202,·203,·204,·205,·206,·207,·208,·209,·210,·211,·212,·213,·214,·215,·216,·217,·218,·219,·220,·221,·222,·223,·224,·225,·226,·227,·228,·229,·230,·231,·232,·233,·234,·235,·236,·237,·238,·239,·240,·241,·242,·243,·244,·245,·246,·247,·248,·249,·250,·251,·252,·253,·254,·255,·256,·257,·258,·259,·260,·261,·262,·263,·264,·265,·266,·267,·268,·269,·270,·271,·272,·273,·274,·275,·276,·277,·278,·279,·280,·281,·282,·283,·284,·285,·286,·287,·288,·289,·290,·291,·292,·293,·294,·295,·296,·297,·298,·299,·300,·301,·302,·303,·304,·305,·306,·307,·308,·309,·310,·311,·312,·313,·314,·315,·316,·317,·318,·319,·320,·321,·322,·323,·324,·325,·326,·327,·328,·329,·330,·331,·332,·333,·334,·335,·336,·337,·338,·339,·340,·341,·342,·343,·344,·347,·348,·350,·351,·352,·353,·354,·355,·356,·358,·359,·360,·361,·362,·363,·364,·365,·366,·367,·368,·369,·370,·371,·372,·373,·374,·375,·376], | 11129 | ········"2025":·[0,·1,·2,·3,·4,·5,·6,·7,·8,·9,·10,·11,·12,·13,·14,·15,·16,·17,·18,·19,·20,·21,·22,·23,·24,·25,·26,·27,·28,·29,·30,·31,·32,·33,·34,·35,·36,·37,·38,·39,·40,·41,·42,·43,·44,·45,·46,·47,·48,·49,·50,·51,·52,·53,·54,·55,·56,·57,·58,·59,·60,·61,·62,·63,·64,·65,·66,·67,·68,·69,·70,·71,·72,·73,·74,·75,·76,·77,·78,·79,·80,·81,·82,·83,·84,·85,·86,·87,·88,·89,·90,·91,·92,·93,·94,·95,·96,·97,·98,·99,·100,·101,·102,·103,·104,·105,·106,·107,·108,·109,·110,·111,·112,·113,·114,·115,·116,·117,·118,·119,·120,·121,·122,·123,·124,·125,·126,·127,·128,·129,·130,·131,·132,·133,·134,·135,·136,·137,·138,·139,·140,·141,·142,·143,·144,·145,·146,·147,·148,·149,·150,·151,·152,·153,·154,·155,·156,·157,·158,·159,·160,·161,·162,·163,·164,·165,·166,·167,·168,·169,·170,·171,·172,·173,·174,·175,·176,·177,·178,·179,·180,·181,·182,·183,·184,·185,·186,·187,·188,·189,·190,·191,·192,·193,·194,·195,·196,·197,·198,·199,·200,·201,·202,·203,·204,·205,·206,·207,·208,·209,·210,·211,·212,·213,·214,·215,·216,·217,·218,·219,·220,·221,·222,·223,·224,·225,·226,·227,·228,·229,·230,·231,·232,·233,·234,·235,·236,·237,·238,·239,·240,·241,·242,·243,·244,·245,·246,·247,·248,·249,·250,·251,·252,·253,·254,·255,·256,·257,·258,·259,·260,·261,·262,·263,·264,·265,·266,·267,·268,·269,·270,·271,·272,·273,·274,·275,·276,·277,·278,·279,·280,·281,·282,·283,·284,·285,·286,·287,·288,·289,·290,·291,·292,·293,·294,·295,·296,·297,·298,·299,·300,·301,·302,·303,·304,·305,·306,·307,·308,·309,·310,·311,·312,·313,·314,·315,·316,·317,·318,·319,·320,·321,·322,·323,·324,·325,·326,·327,·328,·329,·330,·331,·332,·333,·334,·335,·336,·337,·338,·339,·340,·341,·342,·343,·344,·347,·348,·350,·351,·352,·353,·354,·355,·356,·358,·359,·360,·361,·362,·363,·364,·365,·366,·367,·368,·369,·370,·371,·372,·373,·374,·375,·376], |
| 11130 | ········"2026":·[249,·357], | 11130 | ········"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[·...·truncated·by·diffoscope;·len:·1517,·SHA:·09c8603a44542c22c70264356cca363de33355444e4d61d975a1611d4e1072b2·...·]], |
| 11131 | ········"2027":·249, | 11131 | ········"2027":·249, |
| 11132 | ········"2028":·249, | 11132 | ········"2028":·249, |
| 11133 | ········"2029":·223, | 11133 | ········"2029":·223, |
| 11134 | ········"2031":·242, | 11134 | ········"2031":·242, |
| 11135 | ········"2032":·[49,·193,·242], | 11135 | ········"2032":·[49,·193,·242], |
| 11136 | ········"2033":·223, | 11136 | ········"2033":·223, |
| 11137 | ········"2037":·[223,·239,·250], | 11137 | ········"2037":·[223,·239,·250], |
