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1 Package:·gromacs-data1 Package:·gromacs-data
2 Source:·gromacs2 Source:·gromacs
3 Version:·2025.4-13 Version:·2025.4-1
4 Architecture:·all4 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:·3292776 Installed-Size:·329275
7 Depends:·libjs-mathjax7 Depends:·libjs-mathjax
8 Recommends:·gromacs8 Recommends:·gromacs
9 Section:·science9 Section:·science
10 Priority:·optional10 Priority:·optional
11 Multi-Arch:·foreign11 Multi-Arch:·foreign
12 Homepage:·https://www.gromacs.org/12 Homepage:·https://www.gromacs.org/
13 Description:·GROMACS·molecular·dynamics·sim,·data·and·documentation13 Description:·GROMACS·molecular·dynamics·sim,·data·and·documentation
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17694 Lindahl,·Erik·Marklund,·Pieter·Meulenhoff,·Teemu·Murtola,·Sander·Pronk,·Alfons·Sijbers,·Balint·Soproni,·David17694 Lindahl,·Erik·Marklund,·Pieter·Meulenhoff,·Teemu·Murtola,·Sander·Pronk,·Alfons·Sijbers,·Balint·Soproni,·David
17695 van·der·Spoel,·Peter·Tieleman,·Carsten·Uphoff,·Jon·Vincent,·Teemu·Virolainen,·Christian·Wennberg,·Maarten17695 van·der·Spoel,·Peter·Tieleman,·Carsten·Uphoff,·Jon·Vincent,·Teemu·Virolainen,·Christian·Wennberg,·Maarten
17696 Wolf,·Artem·Zhmurov17696 Wolf,·Artem·Zhmurov
17697 Project·leaders:·Berk·Hess,·Erik·Lindahl17697 Project·leaders:·Berk·Hess,·Erik·Lindahl
17698 ©·1991··2000:17698 ©·1991··2000:
17699 Department·of·Biophysical·Chemistry,·University·of·Groningen.·Nijenborgh·4,·9747·AG·Groningen,17699 Department·of·Biophysical·Chemistry,·University·of·Groningen.·Nijenborgh·4,·9747·AG·Groningen,
17700 The·Netherlands.17700 The·Netherlands.
17701 ©·2001··2026:17701 ©·2001··2025:
17702 The·GROMACS·development·teams·at·the·Royal·Institute·of·Technology·and·Uppsala·University,17702 The·GROMACS·development·teams·at·the·Royal·Institute·of·Technology·and·Uppsala·University,
17703 Sweden.17703 Sweden.
17704 This·manual·is·not·complete·and·has·no·pretension·to·be·so,·due·to·lack·of·time·of·the·contributors··our·first17704 This·manual·is·not·complete·and·has·no·pretension·to·be·so,·due·to·lack·of·time·of·the·contributors··our·first
17705 priority·is·to·improve·the·software.·It·is·worked·on·continuously,·which·in·some·cases·might·mean·the·information17705 priority·is·to·improve·the·software.·It·is·worked·on·continuously,·which·in·some·cases·might·mean·the·information
17706 is·not·entirely·correct.17706 is·not·entirely·correct.
17707 Comments·on·form·and·content·are·welcome,·please·send·them·to·the·user·discussion·forum·or·the·developer17707 Comments·on·form·and·content·are·welcome,·please·send·them·to·the·user·discussion·forum·or·the·developer
17708 discussion·forum·(see·our·webpage·or·this·section·on·how·to·contribute·(page·596)),·or·open·an·issue·on·our·issue17708 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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000115e0:·7279·2c20·556e·6976·6572·7369·7479·206f··ry,·University·o000115e0:·7279·2c20·556e·6976·6572·7369·7479·206f··ry,·University·o
000115f0:·6620·4772·6f6e·696e·6765·6e2e·0a4e·696a··f·Groningen..Nij000115f0:·6620·4772·6f6e·696e·6765·6e2e·0a4e·696a··f·Groningen..Nij
00011600:·656e·626f·7267·6820·342c·2039·3734·3720··enborgh·4,·9747·00011600:·656e·626f·7267·6820·342c·2039·3734·3720··enborgh·4,·9747·
00011610:·4147·2047·726f·6e69·6e67·656e·2c20·5468··AG·Groningen,·Th00011610:·4147·2047·726f·6e69·6e67·656e·2c20·5468··AG·Groningen,·Th
00011620:·6520·4e65·7468·6572·6c61·6e64·732e·3c2f··e·Netherlands.</00011620:·6520·4e65·7468·6572·6c61·6e64·732e·3c2f··e·Netherlands.</
00011630:·703e·0a3c·2f64·6976·3e3c·2f62·6c6f·636b··p>.</div></block00011630:·703e·0a3c·2f64·6976·3e3c·2f62·6c6f·636b··p>.</div></block
00011640:·7175·6f74·653e·0a3c·703e·c2a9·2032·3030··quote>.<p>..·20000011640:·7175·6f74·653e·0a3c·703e·c2a9·2032·3030··quote>.<p>..·200
00011650:·3120·e280·9320·3230·3236·3a3c·2f70·3e0a··1·...·2026:</p>.00011650:·3120·e280·9320·3230·3235·3a3c·2f70·3e0a··1·...·2025:</p>.
00011660:·3c62·6c6f·636b·7175·6f74·653e·0a3c·6469··<blockquote>.<di00011660:·3c62·6c6f·636b·7175·6f74·653e·0a3c·6469··<blockquote>.<di
00011670:·763e·3c70·3e54·6865·2047·524f·4d41·4353··v><p>The·GROMACS00011670:·763e·3c70·3e54·6865·2047·524f·4d41·4353··v><p>The·GROMACS
00011680:·2064·6576·656c·6f70·6d65·6e74·2074·6561···development·tea00011680:·2064·6576·656c·6f70·6d65·6e74·2074·6561···development·tea
00011690:·6d73·2061·7420·7468·6520·526f·7961·6c20··ms·at·the·Royal·00011690:·6d73·2061·7420·7468·6520·526f·7961·6c20··ms·at·the·Royal·
000116a0:·496e·7374·6974·7574·6520·6f66·2054·6563··Institute·of·Tec000116a0:·496e·7374·6974·7574·6520·6f66·2054·6563··Institute·of·Tec
000116b0:·686e·6f6c·6f67·7920·616e·640a·5570·7073··hnology·and.Upps000116b0:·686e·6f6c·6f67·7920·616e·640a·5570·7073··hnology·and.Upps
000116c0:·616c·6120·556e·6976·6572·7369·7479·2c20··ala·University,·000116c0:·616c·6120·556e·6976·6572·7369·7479·2c20··ala·University,·
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Offset 431, 15 lines modifiedOffset 431, 15 lines modified
431 Lindahl,·Erik·Marklund,·Pieter·Meulenhoff,·Teemu·Murtola,·Sander·Pronk,·Alfons431 Lindahl,·Erik·Marklund,·Pieter·Meulenhoff,·Teemu·Murtola,·Sander·Pronk,·Alfons
432 Sijbers,·Balint·Soproni,·David·van·der·Spoel,·Peter·Tieleman,·Carsten·Uphoff,432 Sijbers,·Balint·Soproni,·David·van·der·Spoel,·Peter·Tieleman,·Carsten·Uphoff,
433 Jon·Vincent,·Teemu·Virolainen,·Christian·Wennberg,·Maarten·Wolf,·Artem·Zhmurov433 Jon·Vincent,·Teemu·Virolainen,·Christian·Wennberg,·Maarten·Wolf,·Artem·Zhmurov
434 Project·leaders:·Berk·Hess,·Erik·Lindahl434 Project·leaders:·Berk·Hess,·Erik·Lindahl
435 ©·1991··2000:435 ©·1991··2000:
436 ·····Department·of·Biophysical·Chemistry,·University·of·Groningen.436 ·····Department·of·Biophysical·Chemistry,·University·of·Groningen.
437 ·····Nijenborgh·4,·9747·AG·Groningen,·The·Netherlands.437 ·····Nijenborgh·4,·9747·AG·Groningen,·The·Netherlands.
438 ©·2001··2026:438 ©·2001··2025:
439 ·····The·GROMACS·development·teams·at·the·Royal·Institute·of·Technology439 ·····The·GROMACS·development·teams·at·the·Royal·Institute·of·Technology
440 ·····and·Uppsala·University,·Sweden.440 ·····and·Uppsala·University,·Sweden.
441 This·manual·is·not·complete·and·has·no·pretension·to·be·so,·due·to·lack·of·time441 This·manual·is·not·complete·and·has·no·pretension·to·be·so,·due·to·lack·of·time
442 of·the·contributors··our·first·priority·is·to·improve·the·software.·It·is442 of·the·contributors··our·first·priority·is·to·improve·the·software.·It·is
443 worked·on·continuously,·which·in·some·cases·might·mean·the·information·is·not443 worked·on·continuously,·which·in·some·cases·might·mean·the·information·is·not
444 entirely·correct.444 entirely·correct.
445 Comments·on·form·and·content·are·welcome,·please·send·them·to·the·user445 Comments·on·form·and·content·are·welcome,·please·send·them·to·the·user
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Offset 11227, 15 lines modifiedOffset 11227, 15 lines modified
11227 ········"2019":·[30,·38,·193,·204,·239,·240,·241,·242,·259,·265,·266,·267,·268,·269,·282,·294,·374],11227 ········"2019":·[30,·38,·193,·204,·239,·240,·241,·242,·259,·265,·266,·267,·268,·269,·282,·294,·374],
11228 ········"2020":·[4,·11,·15,·17,·28,·38,·180,·193,·255,·275,·281,·282,·283,·284,·285,·286,·287,·311,·337,·351,·374],11228 ········"2020":·[4,·11,·15,·17,·28,·38,·180,·193,·255,·275,·281,·282,·283,·284,·285,·286,·287,·311,·337,·351,·374],
11229 ········"2021":·[38,·193,·266,·269,·270,·291,·297,·298,·299,·300,·301,·302,·311,·325,·374],11229 ········"2021":·[38,·193,·266,·269,·270,·291,·297,·298,·299,·300,·301,·302,·311,·325,·374],
11230 ········"2022":·[0,·17,·27,·28,·38,·271,·285,·286,·307,·313,·314,·315,·316,·317,·326,·374],11230 ········"2022":·[0,·17,·27,·28,·38,·271,·285,·286,·307,·313,·314,·315,·316,·317,·326,·374],
11231 ········"2023":·[38,·122,·193,·287,·301,·302,·322,·328,·329,·330,·331,·332,·333,·334,·348,·374],11231 ········"2023":·[38,·122,·193,·287,·301,·302,·322,·328,·329,·330,·331,·332,·333,·334,·348,·374],
11232 ········"2024":·[37,·38,·80,·83,·122,·195,·242,·315,·316,·317,·339,·345,·346,·347,·348,·355,·356,·369],11232 ········"2024":·[37,·38,·80,·83,·122,·195,·242,·315,·316,·317,·339,·345,·346,·347,·348,·355,·356,·369],
11233 ········"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,·349,·350,·352,·353,·354,·355,·356,·357,·358,·360,·361,·362,·363,·364,·365,·366,·367,·368,·369,·370,·371,·372,·373,·374,·375,·376,·377,·378],11233 ········"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,·349,·350,·352,·353,·354,·355,·356,·357,·358,·360,·361,·362,·363,·364,·365,·366,·367,·368,·369,·370,·371,·372,·373,·374,·375,·376,·377,·378],
11234 ········"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:·1527,·SHA:·f8b4f4ea7a93c3893324cb64b292e913e485e0979feef89457c372293029f1f7·...·]],11234 ········"2026":·[249,·359],
11235 ········"2027":·249,11235 ········"2027":·249,
11236 ········"2028":·249,11236 ········"2028":·249,
11237 ········"2029":·223,11237 ········"2029":·223,
11238 ········"2031":·242,11238 ········"2031":·242,
11239 ········"2032":·[49,·193,·242],11239 ········"2032":·[49,·193,·242],
11240 ········"2033":·223,11240 ········"2033":·223,
11241 ········"2037":·[223,·239,·250],11241 ········"2037":·[223,·239,·250],