Key | Value |
---|---|
FileSize | 784982 |
MD5 | 9BF6101AB3AC8CE972455D738D06098D |
PackageDescription | GROMACS molecular dynamics sim, data and documentation GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. . It is primarily designed for biochemical molecules like proteins and lipids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non- biological systems, e.g. polymers. . This package contains architecture-independent topology and force field data, documentation, man pages, and example files. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | gromacs-data |
PackageSection | science |
PackageVersion | 5.0.2-1 |
SHA-1 | DC274AB62DACF8DCCFCFDED772A0FB901D60F505 |
SHA-256 | 376E1FBA1DABF6AC30279A9FE9EE2102F65C568CA81437DA640D4C361F749F42 |
hashlookup:children-total | 498 |
hashlookup:trust | 50 |
The searched file hash includes 498 children files known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileName | ./usr/share/man/man1/gmx-helix.1.gz |
FileSize | 1454 |
MD5 | 00DA69303BD40D813A1E087E94FBDD43 |
SHA-1 | 011493B9D5DDA0298D76A0FBD393A4755C83CC75 |
SHA-256 | 6198FDE2B9A179FC6C249E4C077828FEB410A47280559FEECFD93BF1DD6A298F |
SSDEEP | 24:XkuesXQ15y1RDotxtgSiJPAToFPs1rU0Reupo5qzzPMGhk7b7WXIl5YO+RWwR3Hb:XxXekRUtjLTo50oX5uk7bKXc5JKRjv |
TLSH | T1C531E9D84ABE79C13EE672DA0BAD2C215BE241BD1755B6365E0E448F90A93087784059 |
Key | Value |
---|---|
CRC32 | 92C7DF66 |
FileName | ./usr/share/gromacs/top/spc216.gro |
FileSize | 29266 |
MD5 | 9BE170EDE1F78B336B927C7F879B320B |
OpSystemCode | 362 |
ProductCode | 919 |
RDS:package_id | 919 |
SHA-1 | 01D7EF0BDD5761B6651B52F7C54DEC36DD48A608 |
SHA-256 | DCB2C65552058A5083FDDC5A4BB3187B1EAC6C46E3ACF038643EC2EC9F147620 |
SSDEEP | 384:xd82gueE2a1SSbmDmS0Y7kWTCrAJ9HbV+bYGUvcmYav1/3hn1Mg707koEK2PtjRo:UISVNH3Kvq60S72d56WU |
SpecialCode | |
TLSH | T19DD25EE73D3DAB942F78F08325E147C6CC39D780D512FC6677D89B944B43A61EA8A01A |
db | nsrl_legacy |
insert-timestamp | 1648601429.9942322 |
source | RDS_2022.03.1_legacy.db |
Key | Value |
---|---|
FileName | ./usr/share/doc/gromacs/html/programs/gmx-anadock.html |
FileSize | 2757 |
MD5 | 4B344D4554F1475D3B95A11D82DD68C9 |
SHA-1 | 022825E2F3DF64DE0D60D578CCE5415C9158CC45 |
SHA-256 | BEA27D56D1A5D42A0BD92159CB3020BC7824CAC0C1DB741CAE7FD3D49427479E |
SSDEEP | 48:xgBaBog/i0EjKi1iScxLv180dGn/N2A+StRVzYS8xX16xNIjIRk70FLocBN0QUFt:xgwolHPoxxLv180dGF27MRVzv8xX16xg |
TLSH | T1E55154093AD890DD958BD022416434A47B6742E778F06CCB3B5E9F056F4274B33AF4AA |
Key | Value |
---|---|
FileName | ./usr/share/gromacs/top/table6-9.xvg |
FileSize | 190619 |
MD5 | F5EFBAA4A8A4172BA2CBE3D67BFBCDD9 |
SHA-1 | 02378230975E7AB9C59C37BE2A5F67E9887D9528 |
SHA-256 | 4E2C3B747FF2032AF515ECA88480E6285DBB2F667690C6B90A7FD1E3A7AF62E0 |
SSDEEP | 1536:+qXRKLMmICaUzJ0TCYJQ9MyC9P4CUJnerRJBDXp4TUoS1bVmn72HtvkcaUmg2X5x:f2zmNcGH099 |
TLSH | T15B14CA439BC0A9D0DAEA8CFF5E237C19953D3CA79DE360C559CE7EC374720694A4A890 |
Key | Value |
---|---|
FileName | ./usr/share/doc/gromacs/html/programs/gmx-polystat.html |
FileSize | 5278 |
MD5 | 09D511C2E04D9A2C972E2221B4696A72 |
SHA-1 | 02DF70E29539146DAAB3B311B57B6CF4CA846C8C |
SHA-256 | A1D6E1CEAF1356C5DC36998CF8B6F676AB36A03D6A7449AB60048AB935BB7B58 |
SSDEEP | 96:xpwol0PoxxLv180/G31zAYrWb58oYiwYDv0hXd1RV78WjCWAoBUS44MJ0s6Q0xAK:x5L5/G31zn0eoYiLe7IrexnVVigyzLpY |
TLSH | T1C9B140153EC892F912DF41A101A429A8272603E739D07C867B1FBE529F4371B33AB9D3 |
Key | Value |
---|---|
FileName | ./usr/share/gromacs/top/gromos53a5.ff/aminoacids.c.tdb |
FileSize | 613 |
MD5 | F3A1E8F0927A2B50F920703BF960CD90 |
SHA-1 | 032EFBFE6C488B3A940AF8D6720D70671DEC6570 |
SHA-256 | 3BC8B123619F64A259888A02342D52C3B459FD149B3674E5004CB672A326437D |
SSDEEP | 12:Rcx4Gej+ejhCsejfKTqzoIZsO2oa0L6evLeG5qwvavO25EHckgHafX:RcxFej+ejosejfkEvZ8gL6eiG8LB5ug+ |
TLSH | T109F0F49EBB801301CCAA10B9F10B0B0B5BF984A1FD070E65B26082A82453985853D51E |
Key | Value |
---|---|
FileName | ./usr/share/doc/gromacs/html/programs/gmx-principal.html |
FileSize | 4408 |
MD5 | 7B7E2DE755FBA5D98197DB696F058352 |
SHA-1 | 037067D3DD818FA688D00C71FFB41BA6216A8FA8 |
SHA-256 | 4248EF42F45CC49336A98FA90828F93AD12BF1DE3EAB5BE94B7B0055DF6E026D |
SSDEEP | 96:xlZwolOBPoxxLv180dvfY7R+McGiWrDdTVJ0s6Q0xAEkkIZBUg44okkwZrZhVxhx:xlEaL5dvfY7R+MviWOxQVYLph2tRt |
TLSH | T11391AC5629C891ED539F81A102A42968372603E738D0BD8B771E7E12EF4770F339A5D3 |
Key | Value |
---|---|
FileName | ./usr/share/gromacs/top/residues.xml |
FileSize | 57683 |
MD5 | B9F27F80BEA30EF4DDA850CF02CBA783 |
SHA-1 | 03BD84E6DE79CA5CF47171F214EC98088AE907A0 |
SHA-256 | 2A32AA5C459EFFC79E1F73D78B281C755C5AA2E3977EC1AB5C5F8B4D080F4446 |
SSDEEP | 768:srOPpcxpiMp6HXp/zcxrBekv0eQkkpAlAf:srOPpcxpiMp6HXp/zcxrIkv0eQkkuaf |
TLSH | T16F43B542ADFC4CD9F226647D7926E4982E9F20F3D3CA5455328DAEA60F5C0CB681B4F4 |
Key | Value |
---|---|
FileName | ./usr/share/doc/gromacs/html/online/dlg.html |
FileSize | 1665 |
MD5 | 928FCC5326008D4B3345D1AEA9F1871D |
SHA-1 | 03E0CABF0226B05B7E83CEF8E3DCC68B00797D3F |
SHA-256 | 6D87609837BA29ABE0D7A551141D04A3231CBB5F52C92D45002969FA2464EBB0 |
SSDEEP | 48:xVBaBog/i0djKi1iScxLv18NOj5TuRCEAa:xVwolePoxxLv1881T1Et |
TLSH | T1FD31750D55E8CBCFC37BE01172075118BF25635719B00C9A39AE83457BA095435EF72E |
Key | Value |
---|---|
FileName | ./usr/share/gromacs/top/gromos43a1.ff/forcefield.itp |
FileSize | 176 |
MD5 | 61C1B5D59D6355FC5CBF67A19D23B955 |
SHA-1 | 0568F83E7532325C1C5E4C9B4C3C17A8B57A8A68 |
SHA-256 | BCEEB3C70895C31154697C410FC9FA73534C4A4B62C6CC7DE1BF7F9D56734C11 |
SSDEEP | 3:HDKAARBcTv/ARBR8+7A9frAxdAjuol7DQBltpvFu7E6StLGeA9DXQ7IA9DbQpn:HeAA0T3A2+78udAJFMsLs5AhQMAtQpn |
TLSH | T1D5C0C003E9CFD000BC32007570C31058802A77F3530661F032F0E8E42D3B11DA0AF12A |