| Key | Value |
|---|---|
| FileSize | 3591752 |
| MD5 | BF1A1ECA78BD5E30D5C49D8880E3F45C |
| 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 | 0EDE8E32B74B919CFCD49541078410560F508C31 |
| SHA-256 | BBC864627170E758CCFC05A4802B3E45642562BB81994FBE2C3DD6A1DED589C6 |
| 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/bin/mdrun_mpi_d.openmpi |
| FileSize | 4556740 |
| MD5 | 677CEC74E3F95D39E26B65516404808E |
| SHA-1 | 477902B12DB0C3787875BF1258603411B51CFA98 |
| SHA-256 | 29EC0E047190C85E0C5272CCDE078BF6E530DDB0DFFF870E60953CF4EECA835B |
| SSDEEP | 98304:WEwvoCoU+eSyq3BUlbzVr3xz2Fg6JEua6Ki+:WElx1eS/3B+z7z2Ar |
| TLSH | T13826E14DD1330A4AF2ACE438BAE2DE506D5085DAA074BFD93DC4A775731B52063F72A4 |
| 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/bin/mdrun_mpi.openmpi |
| FileSize | 4532164 |
| MD5 | D409D39794C59671FCB07AAC0E6BF49A |
| SHA-1 | 2DC8984122A8C06C45CA16B8CBE4B9C349B2027A |
| SHA-256 | 3826778B6801AE71D89B5E3B6EF1F56A42EEAB8A0B8B073B5CBED1361C713BBE |
| SSDEEP | 98304:sSiYbBHJE3xxwqKjIh7+jLUCTgwXNanHblazt:rDH8xxwTIh7g4CTBsnH |
| TLSH | T1BE26F184D6138BB1C381E03EBCC7C744AE41C1B562796DC9F9854BAA338B961867FB71 |
| 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/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/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/bash-completion/completions/mdrun_mpi_d.openmpi |
| FileSize | 59 |
| MD5 | 21ACEFEBA9F4276C423FB89E2540ABBE |
| SHA-1 | 954B538CB6D223C314D5DE33389BD54F6CB4890F |
| SHA-256 | D924FAB89D56C3229CA91C530F4175070B05A32C4C218C73F29DA3E79EF63C05 |
| SSDEEP | 3:OJb1LHL6MTjFHnVL:mR/6MtVL |
| TLSH | T1C9A0029242D5C06A01D2DD44E1888070CBD0954D66985640522015619D9871794CD5AA |