Key | Value |
---|---|
FileSize | 6201278 |
MD5 | D12A421BCF9C0403DF4A1F62877E1D57 |
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 | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
PackageName | gromacs-openmpi |
PackageSection | science |
PackageVersion | 5.1.2-1ubuntu1 |
SHA-1 | BBBCD0EB3D3DB682267623F09DBDADC590EEF7EB |
SHA-256 | 05D918B97B16C54914DE7802FD4DE9FC11759EFE1DBA713B5999A058666B4BED |
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 | 5889 |
MD5 | 8365C406D3DD578D773BC89DFB87275A |
SHA-1 | 2C4528D9B4A9A31F6F40AA7A4ED4FC03AEA477D8 |
SHA-256 | 3997AC699A85EB996A342BF12E8C0A12EF7CFFE8F2143D724F2F29113F617751 |
SSDEEP | 96:mGo78QDc1Cux8xSDzBqsBqnSYxjaCTnRyGZOIl2x4bfvW5uDGB8pECQZfw/:mGo78QDcfewDzgJvxjaCTnRyGZy+uuDJ |
TLSH | T1CFC1AF277FD5341588269F65DCB7BBA5FD3984924C37022AA1F0439E13D00A114A771F |
Key | Value |
---|---|
FileName | ./usr/bin/mdrun_mpi.openmpi |
FileSize | 10273208 |
MD5 | B3E6734B0B6BCADAF851B93175046217 |
SHA-1 | 2123AFFB003358C2C5B22AB0E0D544F79382F695 |
SHA-256 | 723197C67974249C8E0FAD22EDF695AE3849911A93B525100F9A8BAD98F04DC0 |
SSDEEP | 196608:qbFTa13qhrZ2e7N4o06PkSjCBmomwffn2ja:h13GRKGPFul |
TLSH | T1A4A60720FFEEAAF4DA930CB0502F1538D4706F074016B5B7EBE06A54AE96BAC41725D7 |
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/lintian/overrides/gromacs-openmpi |
FileSize | 441 |
MD5 | AD9E49FE82AA87D70667774197DC944B |
SHA-1 | 24A8EAC1B8BC04F68D7EB0A45CF6BDD525F727CC |
SHA-256 | DE395AD135F454CA9F0830B12AEDF2B749858E666E36E030EA4257F3BFA5FA59 |
SSDEEP | 12:zHHAodrnhL/F/jIwtAodrnhL/F8IweA2RvO3CAodrnhL/F/jN8AodrnhL/F8N0:znAod79F/jRAod79F8DgAod79F/jN8Ak |
TLSH | T1FEF06CAEE4C49037959E4ED7C3CE9671D380F188F771FA51AF8443931A4255E1D4546C |
Key | Value |
---|---|
FileName | ./usr/share/doc/gromacs-openmpi/changelog.Debian.gz |
FileSize | 1467 |
MD5 | E31F34C3DE4A5E77D199737641E7209A |
SHA-1 | 47DDE649668641A612182F390EF4D74FD27FA6EE |
SHA-256 | 2AD6BABBD0E5E627AEE78AEC27BA091C018B0F70CC32BEA84C689B1F387F83F6 |
SSDEEP | 24:XThA3+6k5kbGNC+byMq6H560HUUFPCmmWgzHQ8RxmBivjZNkGbwJBKfMkPqCbj:XThwk5ZDq6HN3EmozjBfkyFfJfbj |
TLSH | T1BF311909621C33B338258B063CA8D257E0928F19E52CB2B134703C82A26A8C2006E79E |
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/bin/mdrun_mpi_d.openmpi |
FileSize | 10719640 |
MD5 | 95EA65E0F5276E2935949327135FD4A1 |
SHA-1 | 804F6FBD2CAAE4536292EED6A1FAC2ACA36158C9 |
SHA-256 | E7F0FBBE9A4C1FBA50710B4FC3FA5967A6FB01066E2BE352B99AA6B495E05424 |
SSDEEP | 196608:t2mK1anfjMhFBPv9TS4eoXxWBVULeAvmN1iJMytmOT:tQanfjcFlv9/3WDU9mMf |
TLSH | T1C2B60740EFF39EF1D3420CF417273438D9282B2145AE6DFB9BD41A4A9EB57446A6E813 |
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 |