Key | Value |
---|---|
FileSize | 3741448 |
MD5 | 8FDC287D2BE16875112D88DB0504EC95 |
PackageDescription | Molecular dynamics sim, binaries for OpenMPI 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 OpenMPI 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-openmpi |
PackageSection | science |
PackageVersion | 2019.1-1 |
SHA-1 | 1CE1D02973946F723628C81B6A6016213A0E7296 |
SHA-256 | 88CEFEB5BC350E46ECCC04F7CCA5670938588B6A2A5E5A56E1EA75E78680470A |
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/man/man1/mdrun_mpi.openmpi.1.gz |
FileSize | 6143 |
MD5 | B5C3F5FAC88B0C859D596676E59EC864 |
SHA-1 | 073F57C3EEBE1DA4ED1684E37BBA0EEE6AB52D10 |
SHA-256 | 6922FCC8CFF5E9BBBA2F4096F0787FFB460D06EC4CFCC4B4C82281C0DD8EF078 |
SSDEEP | 96:pT0qL2PdCeS8AyHSWdXJw5vQrFhZqVoN+EDha9Ikub0GhMmm+:poKeS8AyHS8JwGFHDha9IkuA5mm+ |
TLSH | T117C19F64EB6CA0F036B13B311751923363EA69F78315D09971FC3B2913B1B883AC49B9 |
Key | Value |
---|---|
FileName | ./usr/share/doc/libgromacs3/copyright |
FileSize | 21613 |
MD5 | BAF29C0975CD936D67AFC258929ADA96 |
SHA-1 | D71AF096C971636CE5FFF78ED54858D2E6142395 |
SHA-256 | 9CED92A1EF81400F4CE9CF0666599ADA7AECF334B8F589E0BC0EC35489805CE2 |
SSDEEP | 384:fZtlNSU3RyV2Uaos86tyrscrsk1DLAfrsBrsJjDqBd3R7dhf7L/3fLrsCrsRm1D4:fZtlVRola/tyvJDLAfiIqBd3j1LlRDLs |
TLSH | T142A2092B734803B319E20691B64999C9F22F813E77276A44787DD21C233BB2DDAF7095 |
Key | Value |
---|---|
FileName | ./usr/share/lintian/overrides/gromacs-openmpi |
FileSize | 220 |
MD5 | 1A3E90740CE222FB6631BBF1686BA4C3 |
SHA-1 | D4AE54ED72EF7F12329581E09A48031AB8B3AE5A |
SHA-256 | A02A8AD2E69D285065BBA2B9935EE965584A82E9E824FD15B57DD8361D166C4A |
SSDEEP | 6:SLQa2JbMOAoesrLyahL/FLSVqjIwTW6AoesrLyahL/FLSVxIwTWo:zHHAodrnhL/F/jIwtAodrnhL/F8Iwt |
TLSH | T1D5D0A7A9D1C45037614F0E96C2CE96705380F088BA21FA855F8883930A4251A1E4546C |
Key | Value |
---|---|
FileName | ./usr/bin/mdrun_mpi.openmpi |
FileSize | 6379452 |
MD5 | F18B5CC48078D542B57BB4603A47E58D |
SHA-1 | 234A1024C119E296D84144BB088030569DB8B140 |
SHA-256 | E3C5FBD820D46813DB6E49ED84E733397C4326CA924F873F1B2E34DF275808E6 |
SSDEEP | 98304:buQ+Vuyqk9wDulqg0h+WACtx6nzHQAtQ2:bCuyqhDulduptQn |
TLSH | T1B4561847B882586195D52B77B13E95547203237AD2EA3007D915C7203AEF7CE0A3FBEA |
Key | Value |
---|---|
FileName | ./usr/bin/mdrun_mpi_d.openmpi |
FileSize | 7124924 |
MD5 | D78B70DC2D80822489C3C87AC678BA3E |
SHA-1 | 612ECFE679594DAA55BA0F1233CFCEA691DDDD77 |
SHA-256 | 0DB9CB61208FDB5CE764F4B67376B53D0ACFE1F4053F9ED93A92C5A825C08691 |
SSDEEP | 98304:iJEHSiIZ3OGDzo0V5zZYICOgEGLtUCevP:iJsINLo0jaPDD |
TLSH | T12176F746B8813876C7D9177FB17E8AB932022B7DD3DA39019813C2173ECB3862D6B556 |
Key | Value |
---|---|
FileName | ./usr/share/doc/libgromacs4/changelog.Debian.gz |
FileSize | 14684 |
MD5 | 4B65709653BDC8E59B5A37CC6D1E79C1 |
SHA-1 | 2220B53DA2F6EFC7E7FDF246062C851333CC1DB2 |
SHA-256 | 091A9A75A830194183662E80EB1B14FA5BA47D1FF64ABD75BBD3568638EE4EDE |
SSDEEP | 384:if/W6RYXEjuaLHFDVdo8hUSfMcXwqKFmwtIzw+Dmc:iXW6CXe7Dr7NM+OttZ+Dmc |
TLSH | T11D62CF7FE9E0AF12E7E4D054E08052A78C3C616C424723F16E244608E26B479EED6A7B |
Key | Value |
---|---|
FileName | ./usr/share/bash-completion/completions/mdrun_mpi.openmpi |
FileSize | 57 |
MD5 | DE33869B41EF132EA6AEB41D4E77AEFC |
SHA-1 | 04B069CA202F35160587D309CC6718FFE8C54F4A |
SHA-256 | 97D174E0E5DA883099180E9C739DB82C61DF06F7EEDCAFDBCC1E05CFE893A588 |
SSDEEP | 3:OJb1LHL6MTjFHnVKTR:mR/6MtVqR |
TLSH | T1A190029282D5C06A01D2CD54E1844075CAD0958927985640512014619D5971A98CD5BA |
Key | Value |
---|---|
FileName | ./usr/share/doc/gromacs-openmpi/README.Debian |
FileSize | 798 |
MD5 | AF63DA52304E006F3FE8DFF8D9C22365 |
SHA-1 | D1C7F317A46AA0D135F06DEA00AE1F4A76AEDFE6 |
SHA-256 | 61C457D19226087583D2C31130EC1368EF081B387AAB32CE5ADD17EF56EEB98A |
SSDEEP | 24:T7dFp/0gARrMe/l7AOsfDbh0JXFDuF4fO7:TBVCrM9OGiJlJf8 |
TLSH | T12701153DBDC8936010C2D995D20C59D8C329851817BCC581395D765D8B0043627DFD76 |
Key | Value |
---|---|
FileName | ./usr/share/bash-completion/completions/mdrun_mpi_d.openmpi |
FileSize | 59 |
MD5 | 21ACEFEBA9F4276C423FB89E2540ABBE |
SHA-1 | 954B538CB6D223C314D5DE33389BD54F6CB4890F |
SHA-256 | D924FAB89D56C3229CA91C530F4175070B05A32C4C218C73F29DA3E79EF63C05 |
SSDEEP | 3:OJb1LHL6MTjFHnVL:mR/6MtVL |
TLSH | T1C9A0029242D5C06A01D2DD44E1888070CBD0954D66985640522015619D9871794CD5AA |