Key | Value |
---|---|
FileSize | 4246428 |
MD5 | 5C4030523D5B40CD35F941EB97A16616 |
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 | E49F2373E8E7A2E56B08197437E01B289A50F9D6 |
SHA-256 | C921A30299ECD0E40561ED1863BDFD5A6D3CEDCDA40F03E750379DF359685CE6 |
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 | 7470280 |
MD5 | 335A8C61576FD6CC51B10891EAA569AC |
SHA-1 | 4D4450091879CCF0D653483F2F82FB1DD19D7224 |
SHA-256 | 6FAA717B589247E9F8A6067C93800C33DC9FBA6CBABCB200C717D64C4E7A1AB5 |
SSDEEP | 196608:i3azWuH3azBT3zaz1X3dazag36azK03VazAK3z0i/paOsR1:nO |
TLSH | T14B76AF167B890E82E0D2CF718839C376821C5D5761A28A56FDFD936A3BDF3494B03987 |
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 | 7490768 |
MD5 | 0F66ACF188C72E7DDCE1E705B37270AE |
SHA-1 | 8F000518BF3C1BEA6B4344F897E92C18E26AB37F |
SHA-256 | C6DC28BEEC8ABE14AE3211CC172D6634273FC398595CE5F897F833B524A4546E |
SSDEEP | 196608:72azOuH8az2f3Paz273vazZk3Hazdw3vazFu3wwOw7amjsgy01f:rRwv |
TLSH | T11B76AE126F0A4EA7F0E2CF3148398376422D1D9B22308557BEEC566D7A5F3858F539CA |
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 |