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| 1 | Package:·gromacs-data | 1 | Package:·gromacs-data |
| 2 | Source:·gromacs | 2 | Source:·gromacs |
| 3 | Version:·2025.3-1 | 3 | Version:·2025.3-1 |
| 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:·32927 | 6 | Installed-Size:·329277 |
| 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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| 17693 | Lindahl,·Erik·Marklund,·Pieter·Meulenhoff,·Teemu·Murtola,·Sander·Pronk,·Alfons·Sijbers,·Balint·Soproni,·David | 17693 | Lindahl,·Erik·Marklund,·Pieter·Meulenhoff,·Teemu·Murtola,·Sander·Pronk,·Alfons·Sijbers,·Balint·Soproni,·David |
| 17694 | van·der·Spoel,·Peter·Tieleman,·Carsten·Uphoff,·Jon·Vincent,·Teemu·Virolainen,·Christian·Wennberg,·Maarten | 17694 | van·der·Spoel,·Peter·Tieleman,·Carsten·Uphoff,·Jon·Vincent,·Teemu·Virolainen,·Christian·Wennberg,·Maarten |
| 17695 | Wolf,·Artem·Zhmurov | 17695 | Wolf,·Artem·Zhmurov |
| 17696 | Project·leaders:·Berk·Hess,·Erik·Lindahl | 17696 | Project·leaders:·Berk·Hess,·Erik·Lindahl |
| 17697 | ©·1991·–·2000: | 17697 | ©·1991·–·2000: |
| 17698 | Department·of·Biophysical·Chemistry,·University·of·Groningen.·Nijenborgh·4,·9747·AG·Groningen, | 17698 | Department·of·Biophysical·Chemistry,·University·of·Groningen.·Nijenborgh·4,·9747·AG·Groningen, |
| 17699 | The·Netherlands. | 17699 | The·Netherlands. |
| 17700 | ©·2001·–·202 | 17700 | ©·2001·–·2025: |
| 17701 | The·GROMACS·development·teams·at·the·Royal·Institute·of·Technology·and·Uppsala·University, | 17701 | The·GROMACS·development·teams·at·the·Royal·Institute·of·Technology·and·Uppsala·University, |
| 17702 | Sweden. | 17702 | Sweden. |
| 17703 | This·manual·is·not·complete·and·has·no·pretension·to·be·so,·due·to·lack·of·time·of·the·contributors·–·our·first | 17703 | This·manual·is·not·complete·and·has·no·pretension·to·be·so,·due·to·lack·of·time·of·the·contributors·–·our·first |
| 17704 | priority·is·to·improve·the·software.·It·is·worked·on·continuously,·which·in·some·cases·might·mean·the·information | 17704 | priority·is·to·improve·the·software.·It·is·worked·on·continuously,·which·in·some·cases·might·mean·the·information |
| 17705 | is·not·entirely·correct. | 17705 | is·not·entirely·correct. |
| 17706 | Comments·on·form·and·content·are·welcome,·please·send·them·to·the·user·discussion·forum·or·the·developer | 17706 | Comments·on·form·and·content·are·welcome,·please·send·them·to·the·user·discussion·forum·or·the·developer |
| 17707 | discussion·forum·(see·our·webpage·or·this·section·on·how·to·contribute·(page·596)),·or·open·an·issue·on·our·issue | 17707 | discussion·forum·(see·our·webpage·or·this·section·on·how·to·contribute·(page·596)),·or·open·an·issue·on·our·issue |
| Offset 4479, 15 lines modified | Offset 4479, 15 lines modified | ||
| 000117e0:·6d69·7374·7279·2c20·556e·6976·6572·7369··mistry,·Universi | 000117e0:·6d69·7374·7279·2c20·556e·6976·6572·7369··mistry,·Universi | ||
| 000117f0:·7479·206f·6620·4772·6f6e·696e·6765·6e2e··ty·of·Groningen. | 000117f0:·7479·206f·6620·4772·6f6e·696e·6765·6e2e··ty·of·Groningen. | ||
| 00011800:·0a4e·696a·656e·626f·7267·6820·342c·2039··.Nijenborgh·4,·9 | 00011800:·0a4e·696a·656e·626f·7267·6820·342c·2039··.Nijenborgh·4,·9 | ||
| 00011810:·3734·3720·4147·2047·726f·6e69·6e67·656e··747·AG·Groningen | 00011810:·3734·3720·4147·2047·726f·6e69·6e67·656e··747·AG·Groningen | ||
| 00011820:·2c20·5468·6520·4e65·7468·6572·6c61·6e64··,·The·Netherland | 00011820:·2c20·5468·6520·4e65·7468·6572·6c61·6e64··,·The·Netherland | ||
| 00011830:·732e·3c2f·703e·0a3c·2f64·6976·3e3c·2f62··s.</p>.</div></b | 00011830:·732e·3c2f·703e·0a3c·2f64·6976·3e3c·2f62··s.</p>.</div></b | ||
| 00011840:·6c6f·636b·7175·6f74·653e·0a3c·703e·c2a9··lockquote>.<p>.. | 00011840:·6c6f·636b·7175·6f74·653e·0a3c·703e·c2a9··lockquote>.<p>.. | ||
| 00011850:·2032·3030·3120·e280·9320·3230·323 | 00011850:·2032·3030·3120·e280·9320·3230·3235·3a3c···2001·...·2025:< | ||
| 00011860:·2f70·3e0a·3c62·6c6f·636b·7175·6f74·653e··/p>.<blockquote> | 00011860:·2f70·3e0a·3c62·6c6f·636b·7175·6f74·653e··/p>.<blockquote> | ||
| 00011870:·0a3c·6469·763e·3c70·3e54·6865·2047·524f··.<div><p>The·GRO | 00011870:·0a3c·6469·763e·3c70·3e54·6865·2047·524f··.<div><p>The·GRO | ||
| 00011880:·4d41·4353·2064·6576·656c·6f70·6d65·6e74··MACS·development | 00011880:·4d41·4353·2064·6576·656c·6f70·6d65·6e74··MACS·development | ||
| 00011890:·2074·6561·6d73·2061·7420·7468·6520·526f···teams·at·the·Ro | 00011890:·2074·6561·6d73·2061·7420·7468·6520·526f···teams·at·the·Ro | ||
| 000118a0:·7961·6c20·496e·7374·6974·7574·6520·6f66··yal·Institute·of | 000118a0:·7961·6c20·496e·7374·6974·7574·6520·6f66··yal·Institute·of | ||
| 000118b0:·2054·6563·686e·6f6c·6f67·7920·616e·640a···Technology·and. | 000118b0:·2054·6563·686e·6f6c·6f67·7920·616e·640a···Technology·and. | ||
| 000118c0:·5570·7073·616c·6120·556e·6976·6572·7369··Uppsala·Universi | 000118c0:·5570·7073·616c·6120·556e·6976·6572·7369··Uppsala·Universi |
| Offset 459, 15 lines modified | Offset 459, 15 lines modified | ||
| 459 | Lindahl,·Erik·Marklund,·Pieter·Meulenhoff,·Teemu·Murtola,·Sander·Pronk,·Alfons | 459 | Lindahl,·Erik·Marklund,·Pieter·Meulenhoff,·Teemu·Murtola,·Sander·Pronk,·Alfons |
| 460 | Sijbers,·Balint·Soproni,·David·van·der·Spoel,·Peter·Tieleman,·Carsten·Uphoff, | 460 | Sijbers,·Balint·Soproni,·David·van·der·Spoel,·Peter·Tieleman,·Carsten·Uphoff, |
| 461 | Jon·Vincent,·Teemu·Virolainen,·Christian·Wennberg,·Maarten·Wolf,·Artem·Zhmurov | 461 | Jon·Vincent,·Teemu·Virolainen,·Christian·Wennberg,·Maarten·Wolf,·Artem·Zhmurov |
| 462 | Project·leaders:·Berk·Hess,·Erik·Lindahl | 462 | Project·leaders:·Berk·Hess,·Erik·Lindahl |
| 463 | ©·1991·–·2000: | 463 | ©·1991·–·2000: |
| 464 | ·····Department·of·Biophysical·Chemistry,·University·of·Groningen. | 464 | ·····Department·of·Biophysical·Chemistry,·University·of·Groningen. |
| 465 | ·····Nijenborgh·4,·9747·AG·Groningen,·The·Netherlands. | 465 | ·····Nijenborgh·4,·9747·AG·Groningen,·The·Netherlands. |
| 466 | ©·2001·–·202 | 466 | ©·2001·–·2025: |
| 467 | ·····The·GROMACS·development·teams·at·the·Royal·Institute·of·Technology | 467 | ·····The·GROMACS·development·teams·at·the·Royal·Institute·of·Technology |
| 468 | ·····and·Uppsala·University,·Sweden. | 468 | ·····and·Uppsala·University,·Sweden. |
| 469 | This·manual·is·not·complete·and·has·no·pretension·to·be·so,·due·to·lack·of·time | 469 | This·manual·is·not·complete·and·has·no·pretension·to·be·so,·due·to·lack·of·time |
| 470 | of·the·contributors·–·our·first·priority·is·to·improve·the·software.·It·is | 470 | of·the·contributors·–·our·first·priority·is·to·improve·the·software.·It·is |
| 471 | worked·on·continuously,·which·in·some·cases·might·mean·the·information·is·not | 471 | worked·on·continuously,·which·in·some·cases·might·mean·the·information·is·not |
| 472 | entirely·correct. | 472 | entirely·correct. |
| 473 | Comments·on·form·and·content·are·welcome,·please·send·them·to·the·_\x8u_\x8s_\x8e_\x8r | 473 | Comments·on·form·and·content·are·welcome,·please·send·them·to·the·_\x8u_\x8s_\x8e_\x8r |
| Offset 11186, 15 lines modified | Offset 11186, 15 lines modified | ||
| 11186 | ········"2019":·[30,·38,·193,·204,·239,·240,·241,·242,·259,·265,·266,·267,·268,·269,·282,·294,·373], | 11186 | ········"2019":·[30,·38,·193,·204,·239,·240,·241,·242,·259,·265,·266,·267,·268,·269,·282,·294,·373], |
| 11187 | ········"2020":·[4,·11,·15,·17,·28,·38,·180,·193,·255,·275,·281,·282,·283,·284,·285,·286,·287,·311,·337,·350,·373], | 11187 | ········"2020":·[4,·11,·15,·17,·28,·38,·180,·193,·255,·275,·281,·282,·283,·284,·285,·286,·287,·311,·337,·350,·373], |
| 11188 | ········"2021":·[38,·193,·266,·269,·270,·291,·297,·298,·299,·300,·301,·302,·311,·325,·373], | 11188 | ········"2021":·[38,·193,·266,·269,·270,·291,·297,·298,·299,·300,·301,·302,·311,·325,·373], |
| 11189 | ········"2022":·[0,·17,·27,·28,·38,·271,·285,·286,·307,·313,·314,·315,·316,·317,·326,·373], | 11189 | ········"2022":·[0,·17,·27,·28,·38,·271,·285,·286,·307,·313,·314,·315,·316,·317,·326,·373], |
| 11190 | ········"2023":·[38,·122,·193,·287,·301,·302,·322,·328,·329,·330,·331,·332,·333,·334,·373], | 11190 | ········"2023":·[38,·122,·193,·287,·301,·302,·322,·328,·329,·330,·331,·332,·333,·334,·373], |
| 11191 | ········"2024":·[37,·38,·80,·83,·122,·195,·242,·315,·316,·317,·339,·345,·346,·347,·354,·355,·368], | 11191 | ········"2024":·[37,·38,·80,·83,·122,·195,·242,·315,·316,·317,·339,·345,·346,·347,·354,·355,·368], |
| 11192 | ········"2025":·[0,·1,·2,·3,·4,·5,·6,·7,·8,·9,·10,·11,·12,·13,·14,·15,·16,·17,·18,·19,·20,·21,·22,·23,·24,·25,·26,·27,·28,·29,·30,·31,·32,·33,·34,·35,·36,·37,·38,·39,·40,·41,·42,·43,·44,·45,·46,·47,·48,·49,·50,·51,·52,·53,·54,·55,·56,·57,·58,·59,·60,·61,·62,·63,·64,·65,·66,·67,·68,·69,·70,·71,·72,·73,·74,·75,·76,·77,·78,·79,·80,·81,·82,·83,·84,·85,·86,·87,·88,·89,·90,·91,·92,·93,·94,·95,·96,·97,·98,·99,·100,·101,·102,·103,·104,·105,·106,·107,·108,·109,·110,·111,·112,·113,·114,·115,·116,·117,·118,·119,·120,·121,·122,·123,·124,·125,·126,·127,·128,·129,·130,·131,·132,·133,·134,·135,·136,·137,·138,·139,·140,·141,·142,·143,·144,·145,·146,·147,·148,·149,·150,·151,·152,·153,·154,·155,·156,·157,·158,·159,·160,·161,·162,·163,·164,·165,·166,·167,·168,·169,·170,·171,·172,·173,·174,·175,·176,·177,·178,·179,·180,·181,·182,·183,·184,·185,·186,·187,·188,·189,·190,·191,·192,·193,·194,·195,·196,·197,·198,·199,·200,·201,·202,·203,·204,·205,·206,·207,·208,·209,·210,·211,·212,·213,·214,·215,·216,·217,·218,·219,·220,·221,·222,·223,·224,·225,·226,·227,·228,·229,·230,·231,·232,·233,·234,·235,·236,·237,·238,·239,·240,·241,·242,·243,·244,·245,·246,·247,·248,·249,·250,·251,·252,·253,·254,·255,·256,·257,·258,·259,·260,·261,·262,·263,·264,·265,·266,·267,·268,·269,·270,·271,·272,·273,·274,·275,·276,·277,·278,·279,·280,·281,·282,·283,·284,·285,·286,·287,·288,·289,·290,·291,·292,·293,·294,·295,·296,·297,·298,·299,·300,·301,·302,·303,·304,·305,·306,·307,·308,·309,·310,·311,·312,·313,·314,·315,·316,·317,·318,·319,·320,·321,·322,·323,·324,·325,·326,·327,·328,·329,·330,·331,·332,·333,·334,·335,·336,·337,·338,·339,·340,·341,·342,·343,·344,·348,·349,·351,·352,·353,·354,·355,·356,·357,·359,·360,·361,·362,·363,·364,·365,·366,·367,·368,·369,·370,·371,·372,·373,·374,·375,·376,·377], | 11192 | ········"2025":·[0,·1,·2,·3,·4,·5,·6,·7,·8,·9,·10,·11,·12,·13,·14,·15,·16,·17,·18,·19,·20,·21,·22,·23,·24,·25,·26,·27,·28,·29,·30,·31,·32,·33,·34,·35,·36,·37,·38,·39,·40,·41,·42,·43,·44,·45,·46,·47,·48,·49,·50,·51,·52,·53,·54,·55,·56,·57,·58,·59,·60,·61,·62,·63,·64,·65,·66,·67,·68,·69,·70,·71,·72,·73,·74,·75,·76,·77,·78,·79,·80,·81,·82,·83,·84,·85,·86,·87,·88,·89,·90,·91,·92,·93,·94,·95,·96,·97,·98,·99,·100,·101,·102,·103,·104,·105,·106,·107,·108,·109,·110,·111,·112,·113,·114,·115,·116,·117,·118,·119,·120,·121,·122,·123,·124,·125,·126,·127,·128,·129,·130,·131,·132,·133,·134,·135,·136,·137,·138,·139,·140,·141,·142,·143,·144,·145,·146,·147,·148,·149,·150,·151,·152,·153,·154,·155,·156,·157,·158,·159,·160,·161,·162,·163,·164,·165,·166,·167,·168,·169,·170,·171,·172,·173,·174,·175,·176,·177,·178,·179,·180,·181,·182,·183,·184,·185,·186,·187,·188,·189,·190,·191,·192,·193,·194,·195,·196,·197,·198,·199,·200,·201,·202,·203,·204,·205,·206,·207,·208,·209,·210,·211,·212,·213,·214,·215,·216,·217,·218,·219,·220,·221,·222,·223,·224,·225,·226,·227,·228,·229,·230,·231,·232,·233,·234,·235,·236,·237,·238,·239,·240,·241,·242,·243,·244,·245,·246,·247,·248,·249,·250,·251,·252,·253,·254,·255,·256,·257,·258,·259,·260,·261,·262,·263,·264,·265,·266,·267,·268,·269,·270,·271,·272,·273,·274,·275,·276,·277,·278,·279,·280,·281,·282,·283,·284,·285,·286,·287,·288,·289,·290,·291,·292,·293,·294,·295,·296,·297,·298,·299,·300,·301,·302,·303,·304,·305,·306,·307,·308,·309,·310,·311,·312,·313,·314,·315,·316,·317,·318,·319,·320,·321,·322,·323,·324,·325,·326,·327,·328,·329,·330,·331,·332,·333,·334,·335,·336,·337,·338,·339,·340,·341,·342,·343,·344,·348,·349,·351,·352,·353,·354,·355,·356,·357,·359,·360,·361,·362,·363,·364,·365,·366,·367,·368,·369,·370,·371,·372,·373,·374,·375,·376,·377], |
| 11193 | ········"2026":·[ | 11193 | ········"2026":·[249,·358], |
| 11194 | ········"2027":·249, | 11194 | ········"2027":·249, |
| 11195 | ········"2028":·249, | 11195 | ········"2028":·249, |
| 11196 | ········"2029":·223, | 11196 | ········"2029":·223, |
| 11197 | ········"2031":·242, | 11197 | ········"2031":·242, |
| 11198 | ········"2032":·[49,·193,·242], | 11198 | ········"2032":·[49,·193,·242], |
| 11199 | ········"2033":·223, | 11199 | ········"2033":·223, |
| 11200 | ········"2037":·[223,·239,·250], | 11200 | ········"2037":·[223,·239,·250], |