Key | Value |
---|---|
FileSize | 3760238 |
MD5 | 5D9FA32AB7D9EBE7B735B2A332106072 |
PackageDescription | Molecular dynamics sim, binaries for MPICH parallelization 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 only the core simulation engine with parallel support using the MPICH (v3) interface. It is suitable for nodes of a processing cluster, or for multiprocessor machines. |
PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
PackageName | gromacs-mpich |
PackageSection | science |
PackageVersion | 5.0.2-1 |
SHA-1 | 0BD0D343E74B0CAD7349A4AA2F47A12560A4AC47 |
SHA-256 | 7C3DA1EEF4E770E54F2C65C8C627C19B545378D7E11C7C6573A058784C7CFC50 |
hashlookup:children-total | 9 |
hashlookup:trust | 50 |
The searched file hash includes 9 children files known and seen by metalookup. A sample is included below:
Key | Value |
---|---|
FileName | ./usr/share/lintian/overrides/gromacs-mpich |
FileSize | 456 |
MD5 | 2188F2379D276B1226D4A7024DDFA82F |
SHA-1 | DDC853594626695B0571167E7BB8A7D3A3A3241E |
SHA-256 | 7FA1C6CD33868E92D3C7955CA2811A3A02FBC7B2D4FE795DD84D44B4BED2BF70 |
SSDEEP | 12:zHHkrnhL/F1dafkrnhL/FaaOmb9dJWTekrtnhL/F1wkrtnhL/Fz:znk79Fbak79FalmbDcSkh9Fqkh9Fz |
TLSH | T10CF0A71AE2C89C3BC1AB4F56C6D2AF70A211A1C9D9B1FB98D4C521221D6778219828E9 |
Key | Value |
---|---|
FileName | ./usr/share/doc/gromacs-mpich/README.Debian |
FileSize | 790 |
MD5 | 641B58DD2EEA54C74BF32637A0517BEF |
SHA-1 | 49C0F4BA144FAD969E5F5D25D7A6D156D705CE7C |
SHA-256 | 1B39E3E77357819C9B75B1248DABB2E8BDF780CB3A032464EE537EBD8FA38BD5 |
SSDEEP | 12:T7U/0+m+YSAVR4+zGQhj6sS7A+LfX/JNL7bh0JXFDKZbCRmF4dbrOfl/bNlAy:T7U/0gARrMJ7AyfH3bh0JXFDuF4fO7 |
TLSH | T1DE01153D7EC892A01092D895E20D95D8C32E412857AC8180395D761D470047527DFDB2 |
Key | Value |
---|---|
FileName | ./usr/bin/mdrun_mpi_d.mpich |
FileSize | 7802544 |
MD5 | 03FF89DEFC6806BD1518D8CE7634F7D0 |
SHA-1 | 167070CE8A074B557ABAFB52DDCD960B1A607343 |
SHA-256 | 898C43B1AB91A52C3BB1A35EF389B21DA05E03DEC0E40C921BD4630D680CD93D |
SSDEEP | 49152:l1EcB4vUtUWB2WVAjPIMqJCAS1uhcDeTq0Kw5hW3UWb6RN9vK4AuPj9d4BeYLnrA:r74seWzAj4CNuOWyMeuhdtYqmOJT8f |
TLSH | T1E276F483E8417B7795D52B7EB1FC42B472432F7DE5EA31427C02C643398E28658B9E62 |
Key | Value |
---|---|
FileName | ./usr/share/doc/gromacs/changelog.Debian.gz |
FileSize | 10441 |
MD5 | FDF0BEFA7D1D6237B90EAC17EB0776C4 |
SHA-1 | C3E4160195412E866D0389E16F26929B83B83BB2 |
SHA-256 | 357A558747AE02D9734C9187FC29E8BB3997910054C306B0DF3D85716A2086B8 |
SSDEEP | 192:8Pcbu+XriZ7qXkenTyyvRzKJnPT3AugijJGMimvmq9tUY3cu50G/4b5cCkp94QOr:8Pp+7iQkeTyyKJPTv0MiKmq9ZMt1iGQ6 |
TLSH | T16B22B00A25C39F3B890C53EBBEB159A79A454F1D44ACA5074B46ABE407D1D023730BEB |
Key | Value |
---|---|
FileName | ./usr/share/bash-completion/completions/mdrun_mpi.mpich |
FileSize | 55 |
MD5 | DD95B912646150567E172D650DFD3C25 |
SHA-1 | 44AB60513C9559BC90F6013561514140750F27C7 |
SHA-256 | 1244EDC6A3A1881F1C41B35FEAEF6EAEACBB0E73B973BA1FCD0AC752BD364181 |
SSDEEP | 3:OJb1LHL6MTjFHnVKoMGN:mR/6MtVZMa |
TLSH | T19C90029142D5C46A01D2CD45A1904074C9D0558916D85240906014259C5971294CD5BB |
Key | Value |
---|---|
FileName | ./usr/share/bash-completion/completions/mdrun_mpi_d.mpich |
FileSize | 57 |
MD5 | 4B88CD4FC7A83B076366DB8B38DAC11E |
SHA-1 | ADFD495180BA327060FE0D4A5B389B17065CBB92 |
SHA-256 | 2CC7C2CD5335FB9EDC0AF8E9B57BAC6265255BE5ADF542087572EB27F991B170 |
SSDEEP | 3:OJb1LHL6MTjFHnVna:mR/6MtVa |
TLSH | T19D90029242D5C46A01D2CD44A1948070CA90554D66D85240906054219C98B1294CD5AA |
Key | Value |
---|---|
FileName | ./usr/share/doc/libgromacs1/copyright |
FileSize | 20268 |
MD5 | 9E85A4E2B275595F38BC34C4A1E8DFD5 |
SHA-1 | EBA8B89F12BD55C42703182EAA064E59CC1839DA |
SHA-256 | 0778A0DEEA738FB6193EB71E0C0E1BD70D9F0E8B93047EB9A7850CFC479FBD33 |
SSDEEP | 384:msHHQAMf06IAzyVuUaos86tyrscrsk1DLALV5MorsBrsJjDqBdyR7+hfKL/3fKrE:msnQAMfjzoda/tyvJDLALYoiIqBdykiH |
TLSH | T14792196B334403B31AE216A1765E99C8F21FC03E37375A44786DD218232B72EEAF7495 |
Key | Value |
---|---|
FileName | ./usr/share/man/man1/mdrun_mpi.mpich.1.gz |
FileSize | 9240 |
MD5 | A47E82A9537CDD1B78759CDDEDDA9DA8 |
SHA-1 | 2713C4883A855A853893DDCA40D20DA555353C9F |
SHA-256 | 32BE1A47591B7FE64D2B24A096C7777B36F340C5BDD27E77264026BDC197CE42 |
SSDEEP | 192:/0nwQUmzo2Zf/fb7GG4hVMsWmsUBYUXmAq4VSqfHs5AXU:/0wZmzo2VOjXTBYUXmA9sSXU |
TLSH | T1A912CF250C2B40FA1920CE5A1E2C39D8B4C976DE37085C72F777DE3650E4927C1C9D1A |
Key | Value |
---|---|
FileName | ./usr/bin/mdrun_mpi.mpich |
FileSize | 6315712 |
MD5 | 4B9E506D286E77140A1322EA2DBC1E33 |
SHA-1 | 394A400639403F92C84B02289596FB99FFC04F29 |
SHA-256 | 1C7112052DDD2251E4891C882CEDE28497E3C8233F991729949DE2ED23C9DCE9 |
SSDEEP | 49152:feEcB0N6qXaV5NSIvtniiYJL5dKKSQdctD0g26uw7e53Va+0VdBs1qVkgd+yWSMe:G7Ua1SIlwL5dkAcOwXgm3oyW3WC8x |
TLSH | T1F9563943BC41A962D4D52777713E42547243237AD2EA3007E915C7207AEBB8E893ABF7 |