Key | Value |
---|---|
FileSize | 7827896 |
MD5 | 1C7CAA7C9A3D08FD7EF378889D1D4589 |
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 | 29CBF749618A8B460FBAEC1AD6A27493ECD909A2 |
SHA-256 | 1739C1B73AD768F368C3918941D750F58E7076344F0CC278531ED0696748719E |
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 | 10661416 |
MD5 | AAB2F15711EC653E7B027667631768A6 |
SHA-1 | 6F74F21D7E9009CAC563632DCF74BD1E6A654E0F |
SHA-256 | 0540CF3BFFF2E4876298F7966B04FE3DC4DBFCC4F1BB0F7F1636659D73C963FE |
SSDEEP | 196608:FJ36XHsMngdv09SbhseNAm9f/4HI0WV72:tzvr/ |
TLSH | T10CB61740F9EE95DAD4A79C7062B9F42FF92134120A1919E763E0582C5F37B500FB1EAB |
Key | Value |
---|---|
FileName | ./usr/bin/mdrun_mpi_d.openmpi |
FileSize | 11169288 |
MD5 | 57F4A3CFE773E9F7E3CCA04A9E2D3397 |
SHA-1 | 683184E08C12E74F856419EAAC5B21EBEA28A11F |
SHA-256 | 209C6E486711107A81322171EBA993E8C9A8982F4174D4D317E7100887ABE2CF |
SSDEEP | 98304:cA4C/cxPrM0g6h8g6DgjsCGPd8CEAoVJM0g//I7AVmO2Md:cu/cdMHC885AUemO |
TLSH | T1F4B6084DB4D26C7EFE9B7A7056B1B826E2243209429C0DA617C35D1C1E7AF002E77E5B |
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/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 |