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1 | -rw-r--r--···0········0········0········4·2025-05-14·01:00:25.000000·debian-binary | 1 | -rw-r--r--···0········0········0········4·2025-05-14·01:00:25.000000·debian-binary |
2 | -rw-r--r--···0········0········0···4614 | 2 | -rw-r--r--···0········0········0···461484·2025-05-14·01:00:25.000000·control.tar.xz |
3 | -rw-r--r--···0········0········0·45606 | 3 | -rw-r--r--···0········0········0·45606972·2025-05-14·01:00:25.000000·data.tar.xz |
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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 |
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:·32946 | 6 | Installed-Size:·329465 |
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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20413 | -rw-r--r--···0·root·········(0)·root·········(0)····80075·2025-05-14·01:00:25.000000·./usr/share/doc/gromacs/html/release-notes/2025/major/tools.html | 20413 | -rw-r--r--···0·root·········(0)·root·········(0)····80075·2025-05-14·01:00:25.000000·./usr/share/doc/gromacs/html/release-notes/2025/major/tools.html |
20414 | -rw-r--r--···0·root·········(0)·root·········(0)····96451·2025-05-14·01:00:25.000000·./usr/share/doc/gromacs/html/release-notes/index.html | 20414 | -rw-r--r--···0·root·········(0)·root·········(0)····96451·2025-05-14·01:00:25.000000·./usr/share/doc/gromacs/html/release-notes/index.html |
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20416 | -rw-r--r--···0·root·········(0)·root·········(0)····73904·2025-05-14·01:00:25.000000·./usr/share/doc/gromacs/html/release-notes/older/index.html | 20416 | -rw-r--r--···0·root·········(0)·root·········(0)····73904·2025-05-14·01:00:25.000000·./usr/share/doc/gromacs/html/release-notes/older/index.html |
20417 | -rw-r--r--···0·root·········(0)·root·········(0)····70847·2025-05-14·01:00:25.000000·./usr/share/doc/gromacs/html/search.html | 20417 | -rw-r--r--···0·root·········(0)·root·········(0)····70847·2025-05-14·01:00:25.000000·./usr/share/doc/gromacs/html/search.html |
20418 | -rw-r--r--···0·root·········(0)·root·········(0)··129 | 20418 | -rw-r--r--···0·root·········(0)·root·········(0)··1294753·2025-05-14·01:00:25.000000·./usr/share/doc/gromacs/html/searchindex.js |
20419 | drwxr-xr-x···0·root·········(0)·root·········(0)········0·2025-05-14·01:00:25.000000·./usr/share/doc/gromacs/html/user-guide/ | 20419 | drwxr-xr-x···0·root·········(0)·root·········(0)········0·2025-05-14·01:00:25.000000·./usr/share/doc/gromacs/html/user-guide/ |
20420 | -rw-r--r--···0·root·········(0)·root·········(0)···156475·2025-05-14·01:00:25.000000·./usr/share/doc/gromacs/html/user-guide/cmdline.html | 20420 | -rw-r--r--···0·root·········(0)·root·········(0)···156475·2025-05-14·01:00:25.000000·./usr/share/doc/gromacs/html/user-guide/cmdline.html |
20421 | -rw-r--r--···0·root·········(0)·root·········(0)····74858·2025-05-14·01:00:25.000000·./usr/share/doc/gromacs/html/user-guide/deprecation-policy.html | 20421 | -rw-r--r--···0·root·········(0)·root·········(0)····74858·2025-05-14·01:00:25.000000·./usr/share/doc/gromacs/html/user-guide/deprecation-policy.html |
20422 | -rw-r--r--···0·root·········(0)·root·········(0)···115109·2025-05-14·01:00:25.000000·./usr/share/doc/gromacs/html/user-guide/environment-variables.html | 20422 | -rw-r--r--···0·root·········(0)·root·········(0)···115109·2025-05-14·01:00:25.000000·./usr/share/doc/gromacs/html/user-guide/environment-variables.html |
20423 | -rw-r--r--···0·root·········(0)·root·········(0)····93054·2025-05-14·01:00:25.000000·./usr/share/doc/gromacs/html/user-guide/faq.html | 20423 | -rw-r--r--···0·root·········(0)·root·········(0)····93054·2025-05-14·01:00:25.000000·./usr/share/doc/gromacs/html/user-guide/faq.html |
20424 | -rw-r--r--···0·root·········(0)·root·········(0)····75791·2025-05-14·01:00:25.000000·./usr/share/doc/gromacs/html/user-guide/floating-point.html | 20424 | -rw-r--r--···0·root·········(0)·root·········(0)····75791·2025-05-14·01:00:25.000000·./usr/share/doc/gromacs/html/user-guide/floating-point.html |
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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 |
Offset 4466, 15 lines modified | Offset 4466, 15 lines modified | ||
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], |