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| 1 | Package:·gromacs-data | 1 | Package:·gromacs-data |
| 2 | Source:·gromacs | 2 | Source:·gromacs |
| 3 | Version:·2025.0-2 | 3 | Version:·2025.0-2 |
| 4 | Architecture:·all | 4 | Architecture:·all |
| 5 | Maintainer:·Debichem·Team·<debichem-devel@lists.alioth.debian.org> | 5 | Maintainer:·Debichem·Team·<debichem-devel@lists.alioth.debian.org> |
| 6 | Installed-Size:·32905 | 6 | Installed-Size:·329056 |
| 7 | Depends:·libjs-mathjax | 7 | Depends:·libjs-mathjax |
| 8 | Recommends:·gromacs | 8 | Recommends:·gromacs |
| 9 | Section:·science | 9 | Section:·science |
| 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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| 17671 | Lindahl,·Erik·Marklund,·Pieter·Meulenhoff,·Teemu·Murtola,·Sander·Pronk,·Alfons·Sijbers,·Balint·Soproni,·David | 17671 | Lindahl,·Erik·Marklund,·Pieter·Meulenhoff,·Teemu·Murtola,·Sander·Pronk,·Alfons·Sijbers,·Balint·Soproni,·David |
| 17672 | van·der·Spoel,·Peter·Tieleman,·Carsten·Uphoff,·Jon·Vincent,·Teemu·Virolainen,·Christian·Wennberg,·Maarten | 17672 | van·der·Spoel,·Peter·Tieleman,·Carsten·Uphoff,·Jon·Vincent,·Teemu·Virolainen,·Christian·Wennberg,·Maarten |
| 17673 | Wolf,·Artem·Zhmurov | 17673 | Wolf,·Artem·Zhmurov |
| 17674 | Project·leaders:·Berk·Hess,·Erik·Lindahl | 17674 | Project·leaders:·Berk·Hess,·Erik·Lindahl |
| 17675 | ©·1991·–·2000: | 17675 | ©·1991·–·2000: |
| 17676 | Department·of·Biophysical·Chemistry,·University·of·Groningen.·Nijenborgh·4,·9747·AG·Groningen, | 17676 | Department·of·Biophysical·Chemistry,·University·of·Groningen.·Nijenborgh·4,·9747·AG·Groningen, |
| 17677 | The·Netherlands. | 17677 | The·Netherlands. |
| 17678 | ©·2001·–·202 | 17678 | ©·2001·–·2026: |
| 17679 | The·GROMACS·development·teams·at·the·Royal·Institute·of·Technology·and·Uppsala·University, | 17679 | The·GROMACS·development·teams·at·the·Royal·Institute·of·Technology·and·Uppsala·University, |
| 17680 | Sweden. | 17680 | Sweden. |
| 17681 | This·manual·is·not·complete·and·has·no·pretension·to·be·so,·due·to·lack·of·time·of·the·contributors·–·our·first | 17681 | This·manual·is·not·complete·and·has·no·pretension·to·be·so,·due·to·lack·of·time·of·the·contributors·–·our·first |
| 17682 | priority·is·to·improve·the·software.·It·is·worked·on·continuously,·which·in·some·cases·might·mean·the·information | 17682 | priority·is·to·improve·the·software.·It·is·worked·on·continuously,·which·in·some·cases·might·mean·the·information |
| 17683 | is·not·entirely·correct. | 17683 | is·not·entirely·correct. |
| 17684 | Comments·on·form·and·content·are·welcome,·please·send·them·to·the·user·discussion·forum·or·the·developer | 17684 | Comments·on·form·and·content·are·welcome,·please·send·them·to·the·user·discussion·forum·or·the·developer |
| 17685 | discussion·forum·(see·our·webpage·or·this·section·on·how·to·contribute·(page·596)),·or·open·an·issue·on·our·issue | 17685 | 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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| 00011600:·792c·2055·6e69·7665·7273·6974·7920·6f66··y,·University·of | 00011600:·792c·2055·6e69·7665·7273·6974·7920·6f66··y,·University·of | ||
| 00011610:·2047·726f·6e69·6e67·656e·2e0a·4e69·6a65···Groningen..Nije | 00011610:·2047·726f·6e69·6e67·656e·2e0a·4e69·6a65···Groningen..Nije | ||
| 00011620:·6e62·6f72·6768·2034·2c20·3937·3437·2041··nborgh·4,·9747·A | 00011620:·6e62·6f72·6768·2034·2c20·3937·3437·2041··nborgh·4,·9747·A | ||
| 00011630:·4720·4772·6f6e·696e·6765·6e2c·2054·6865··G·Groningen,·The | 00011630:·4720·4772·6f6e·696e·6765·6e2c·2054·6865··G·Groningen,·The | ||
| 00011640:·204e·6574·6865·726c·616e·6473·2e3c·2f70···Netherlands.</p | 00011640:·204e·6574·6865·726c·616e·6473·2e3c·2f70···Netherlands.</p | ||
| 00011650:·3e0a·3c2f·6469·763e·3c2f·626c·6f63·6b71··>.</div></blockq | 00011650:·3e0a·3c2f·6469·763e·3c2f·626c·6f63·6b71··>.</div></blockq | ||
| 00011660:·756f·7465·3e0a·3c70·3ec2·a920·3230·3031··uote>.<p>..·2001 | 00011660:·756f·7465·3e0a·3c70·3ec2·a920·3230·3031··uote>.<p>..·2001 | ||
| 00011670:·20e2·8093·2032·3032·3 | 00011670:·20e2·8093·2032·3032·363a·3c2f·703e·0a3c···...·2026:</p>.< | ||
| 00011680:·626c·6f63·6b71·756f·7465·3e0a·3c64·6976··blockquote>.<div | 00011680:·626c·6f63·6b71·756f·7465·3e0a·3c64·6976··blockquote>.<div | ||
| 00011690:·3e3c·703e·5468·6520·4752·4f4d·4143·5320··><p>The·GROMACS· | 00011690:·3e3c·703e·5468·6520·4752·4f4d·4143·5320··><p>The·GROMACS· | ||
| 000116a0:·6465·7665·6c6f·706d·656e·7420·7465·616d··development·team | 000116a0:·6465·7665·6c6f·706d·656e·7420·7465·616d··development·team | ||
| 000116b0:·7320·6174·2074·6865·2052·6f79·616c·2049··s·at·the·Royal·I | 000116b0:·7320·6174·2074·6865·2052·6f79·616c·2049··s·at·the·Royal·I | ||
| 000116c0:·6e73·7469·7475·7465·206f·6620·5465·6368··nstitute·of·Tech | 000116c0:·6e73·7469·7475·7465·206f·6620·5465·6368··nstitute·of·Tech | ||
| 000116d0:·6e6f·6c6f·6779·2061·6e64·0a55·7070·7361··nology·and.Uppsa | 000116d0:·6e6f·6c6f·6779·2061·6e64·0a55·7070·7361··nology·and.Uppsa | ||
| 000116e0:·6c61·2055·6e69·7665·7273·6974·792c·2053··la·University,·S | 000116e0:·6c61·2055·6e69·7665·7273·6974·792c·2053··la·University,·S |
| Offset 456, 15 lines modified | Offset 456, 15 lines modified | ||
| 456 | Lindahl,·Erik·Marklund,·Pieter·Meulenhoff,·Teemu·Murtola,·Sander·Pronk,·Alfons | 456 | Lindahl,·Erik·Marklund,·Pieter·Meulenhoff,·Teemu·Murtola,·Sander·Pronk,·Alfons |
| 457 | Sijbers,·Balint·Soproni,·David·van·der·Spoel,·Peter·Tieleman,·Carsten·Uphoff, | 457 | Sijbers,·Balint·Soproni,·David·van·der·Spoel,·Peter·Tieleman,·Carsten·Uphoff, |
| 458 | Jon·Vincent,·Teemu·Virolainen,·Christian·Wennberg,·Maarten·Wolf,·Artem·Zhmurov | 458 | Jon·Vincent,·Teemu·Virolainen,·Christian·Wennberg,·Maarten·Wolf,·Artem·Zhmurov |
| 459 | Project·leaders:·Berk·Hess,·Erik·Lindahl | 459 | Project·leaders:·Berk·Hess,·Erik·Lindahl |
| 460 | ©·1991·–·2000: | 460 | ©·1991·–·2000: |
| 461 | ·····Department·of·Biophysical·Chemistry,·University·of·Groningen. | 461 | ·····Department·of·Biophysical·Chemistry,·University·of·Groningen. |
| 462 | ·····Nijenborgh·4,·9747·AG·Groningen,·The·Netherlands. | 462 | ·····Nijenborgh·4,·9747·AG·Groningen,·The·Netherlands. |
| 463 | ©·2001·–·202 | 463 | ©·2001·–·2026: |
| 464 | ·····The·GROMACS·development·teams·at·the·Royal·Institute·of·Technology | 464 | ·····The·GROMACS·development·teams·at·the·Royal·Institute·of·Technology |
| 465 | ·····and·Uppsala·University,·Sweden. | 465 | ·····and·Uppsala·University,·Sweden. |
| 466 | This·manual·is·not·complete·and·has·no·pretension·to·be·so,·due·to·lack·of·time | 466 | This·manual·is·not·complete·and·has·no·pretension·to·be·so,·due·to·lack·of·time |
| 467 | of·the·contributors·–·our·first·priority·is·to·improve·the·software.·It·is | 467 | of·the·contributors·–·our·first·priority·is·to·improve·the·software.·It·is |
| 468 | worked·on·continuously,·which·in·some·cases·might·mean·the·information·is·not | 468 | worked·on·continuously,·which·in·some·cases·might·mean·the·information·is·not |
| 469 | entirely·correct. | 469 | entirely·correct. |
| 470 | Comments·on·form·and·content·are·welcome,·please·send·them·to·the·_\x8u_\x8s_\x8e_\x8r | 470 | Comments·on·form·and·content·are·welcome,·please·send·them·to·the·_\x8u_\x8s_\x8e_\x8r |
| Offset 11048, 15 lines modified | Offset 11048, 15 lines modified | ||
| 11048 | ········"2019":·[30,·38,·193,·204,·239,·240,·241,·242,·259,·265,·266,·267,·268,·269,·282,·294,·370], | 11048 | ········"2019":·[30,·38,·193,·204,·239,·240,·241,·242,·259,·265,·266,·267,·268,·269,·282,·294,·370], |
| 11049 | ········"2020":·[4,·11,·15,·17,·28,·38,·180,·193,·255,·275,·281,·282,·283,·284,·285,·286,·287,·311,·337,·347,·370], | 11049 | ········"2020":·[4,·11,·15,·17,·28,·38,·180,·193,·255,·275,·281,·282,·283,·284,·285,·286,·287,·311,·337,·347,·370], |
| 11050 | ········"2021":·[38,·193,·266,·269,·270,·291,·297,·298,·299,·300,·301,·302,·311,·326,·370], | 11050 | ········"2021":·[38,·193,·266,·269,·270,·291,·297,·298,·299,·300,·301,·302,·311,·326,·370], |
| 11051 | ········"2022":·[0,·17,·27,·28,·38,·271,·285,·286,·307,·313,·314,·315,·316,·317,·318,·327,·370], | 11051 | ········"2022":·[0,·17,·27,·28,·38,·271,·285,·286,·307,·313,·314,·315,·316,·317,·318,·327,·370], |
| 11052 | ········"2023":·[38,·122,·193,·287,·301,·302,·323,·329,·330,·331,·332,·333,·334,·370], | 11052 | ········"2023":·[38,·122,·193,·287,·301,·302,·323,·329,·330,·331,·332,·333,·334,·370], |
| 11053 | ········"2024":·[37,·38,·80,·83,·122,·195,·242,·315,·316,·317,·318,·339,·351,·352,·365], | 11053 | ········"2024":·[37,·38,·80,·83,·122,·195,·242,·315,·316,·317,·318,·339,·351,·352,·365], |
| 11054 | ········"2025":·[0,·1,·2,·3,·4,·5,·6,·7,·8,·9,·10,·11,·12,·13,·14,·15,·16,·17,·18,·19,·20,·21,·22,·23,·24,·25,·26,·27,·28,·29,·30,·31,·32,·33,·34,·35,·36,·37,·38,·39,·40,·41,·42,·43,·44,·45,·46,·47,·48,·49,·50,·51,·52,·53,·54,·55,·56,·57,·58,·59,·60,·61,·62,·63,·64,·65,·66,·67,·68,·69,·70,·71,·72,·73,·74,·75,·76,·77,·78,·79,·80,·81,·82,·83,·84,·85,·86,·87,·88,·89,·90,·91,·92,·93,·94,·95,·96,·97,·98,·99,·100,·101,·102,·103,·104,·105,·106,·107,·108,·109,·110,·111,·112,·113,·114,·115,·116,·117,·118,·119,·120,·121,·122,·123,·124,·125,·126,·127,·128,·129,·130,·131,·132,·133,·134,·135,·136,·137,·138,·139,·140,·141,·142,·143,·144,·145,·146,·147,·148,·149,·150,·151,·152,·153,·154,·155,·156,·157,·158,·159,·160,·161,·162,·163,·164,·165,·166,·167,·168,·169,·170,·171,·172,·173,·174,·175,·176,·177,·178,·179,·180,·181,·182,·183,·184,·185,·186,·187,·188,·189,·190,·191,·192,·193,·194,·195,·196,·197,·198,·199,·200,·201,·202,·203,·204,·205,·206,·207,·208,·209,·210,·211,·212,·213,·214,·215,·216,·217,·218,·219,·220,·221,·222,·223,·224,·225,·226,·227,·228,·229,·230,·231,·232,·233,·234,·235,·236,·237,·238,·239,·240,·241,·242,·243,·244,·245,·246,·247,·248,·249,·250,·251,·252,·253,·254,·255,·256,·257,·258,·259,·260,·261,·262,·263,·264,·265,·266,·267,·268,·269,·270,·271,·272,·273,·274,·275,·276,·277,·278,·279,·280,·281,·282,·283,·284,·285,·286,·287,·288,·289,·290,·291,·292,·293,·294,·295,·296,·297,·298,·299,·300,·301,·302,·303,·304,·305,·306,·307,·308,·309,·310,·311,·312,·313,·314,·315,·316,·317,·318,·319,·320,·321,·322,·323,·324,·325,·326,·327,·328,·329,·330,·331,·332,·333,·334,·335,·336,·337,·338,·339,·340,·341,·342,·343,·344,·345,·346,·348,·349,·350,·351,·352,·353,·354,·356,·357,·358,·359,·360,·361,·362,·363,·364,·365,·366,·367,·368,·369,·370,·371,·372,·373,·374], | 11054 | ········"2025":·[0,·1,·2,·3,·4,·5,·6,·7,·8,·9,·10,·11,·12,·13,·14,·15,·16,·17,·18,·19,·20,·21,·22,·23,·24,·25,·26,·27,·28,·29,·30,·31,·32,·33,·34,·35,·36,·37,·38,·39,·40,·41,·42,·43,·44,·45,·46,·47,·48,·49,·50,·51,·52,·53,·54,·55,·56,·57,·58,·59,·60,·61,·62,·63,·64,·65,·66,·67,·68,·69,·70,·71,·72,·73,·74,·75,·76,·77,·78,·79,·80,·81,·82,·83,·84,·85,·86,·87,·88,·89,·90,·91,·92,·93,·94,·95,·96,·97,·98,·99,·100,·101,·102,·103,·104,·105,·106,·107,·108,·109,·110,·111,·112,·113,·114,·115,·116,·117,·118,·119,·120,·121,·122,·123,·124,·125,·126,·127,·128,·129,·130,·131,·132,·133,·134,·135,·136,·137,·138,·139,·140,·141,·142,·143,·144,·145,·146,·147,·148,·149,·150,·151,·152,·153,·154,·155,·156,·157,·158,·159,·160,·161,·162,·163,·164,·165,·166,·167,·168,·169,·170,·171,·172,·173,·174,·175,·176,·177,·178,·179,·180,·181,·182,·183,·184,·185,·186,·187,·188,·189,·190,·191,·192,·193,·194,·195,·196,·197,·198,·199,·200,·201,·202,·203,·204,·205,·206,·207,·208,·209,·210,·211,·212,·213,·214,·215,·216,·217,·218,·219,·220,·221,·222,·223,·224,·225,·226,·227,·228,·229,·230,·231,·232,·233,·234,·235,·236,·237,·238,·239,·240,·241,·242,·243,·244,·245,·246,·247,·248,·249,·250,·251,·252,·253,·254,·255,·256,·257,·258,·259,·260,·261,·262,·263,·264,·265,·266,·267,·268,·269,·270,·271,·272,·273,·274,·275,·276,·277,·278,·279,·280,·281,·282,·283,·284,·285,·286,·287,·288,·289,·290,·291,·292,·293,·294,·295,·296,·297,·298,·299,·300,·301,·302,·303,·304,·305,·306,·307,·308,·309,·310,·311,·312,·313,·314,·315,·316,·317,·318,·319,·320,·321,·322,·323,·324,·325,·326,·327,·328,·329,·330,·331,·332,·333,·334,·335,·336,·337,·338,·339,·340,·341,·342,·343,·344,·345,·346,·348,·349,·350,·351,·352,·353,·354,·356,·357,·358,·359,·360,·361,·362,·363,·364,·365,·366,·367,·368,·369,·370,·371,·372,·373,·374], |
| 11055 | ········"2026":·[249,·355], | 11055 | ········"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:·1507,·SHA:·3c23d6e313df644138a0a276f77a7d6c529a2e49bf0da8307e6764c12f0662f5·...·]], |
| 11056 | ········"2027":·249, | 11056 | ········"2027":·249, |
| 11057 | ········"2028":·249, | 11057 | ········"2028":·249, |
| 11058 | ········"2029":·223, | 11058 | ········"2029":·223, |
| 11059 | ········"2031":·242, | 11059 | ········"2031":·242, |
| 11060 | ········"2032":·[49,·193,·242], | 11060 | ········"2032":·[49,·193,·242], |
| 11061 | ········"2033":·223, | 11061 | ········"2033":·223, |
| 11062 | ········"2037":·[223,·239,·250], | 11062 | ········"2037":·[223,·239,·250], |