Key | Value |
---|---|
FileSize | 6248398 |
MD5 | 2FBD61ED25FAA5B7BA2BCBB3FAA27E77 |
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 | 5.0.2-1 |
SHA-1 | 3D2550AFD1A244A3B58587337047121B2BB4AAA0 |
SHA-256 | AF717E2676B28C415F694FD2BD01BBBC25ED4AB1DC6B39A6685BE4D67F38E132 |
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/lintian/overrides/gromacs-openmpi |
FileSize | 472 |
MD5 | B22E040C1A5D84530AD2ADC38361ED61 |
SHA-1 | 3C9751A93FC1B3EFEA8E21964E5DE094FD2B829E |
SHA-256 | FCD49548EEA574854AC4B7D1270D3032F162C56A58A8EE13E5265DB8BA60BFCD |
SSDEEP | 12:zHHAodrnhL/F/jIQxfAodrnhL/F8IQxOmb9dJWTeAoEktnhL/F/jrAoEktnhL/FA:znAod79F/jxAod79F8gmbDcSAoEQ9F/8 |
TLSH | T13EF02E6AE0D5903FD09A0F97C2CAA6706340E1CCF731FF456BC403920B623460D818AC |
Key | Value |
---|---|
FileName | ./usr/share/doc/gromacs/changelog.Debian.gz |
FileSize | 10441 |
MD5 | FDF0BEFA7D1D6237B90EAC17EB0776C4 |
SHA-1 | C3E4160195412E866D0389E16F26929B83B83BB2 |
SHA-256 | 357A558747AE02D9734C9187FC29E8BB3997910054C306B0DF3D85716A2086B8 |
SSDEEP | 192:8Pcbu+XriZ7qXkenTyyvRzKJnPT3AugijJGMimvmq9tUY3cu50G/4b5cCkp94QOr:8Pp+7iQkeTyyKJPTv0MiKmq9ZMt1iGQ6 |
TLSH | T16B22B00A25C39F3B890C53EBBEB159A79A454F1D44ACA5074B46ABE407D1D023730BEB |
Key | Value |
---|---|
FileName | ./usr/bin/mdrun_mpi_d.openmpi |
FileSize | 11015776 |
MD5 | 02B8D0D1A4911D282F30F66ABBB76A63 |
SHA-1 | 74C3ABEF4902B2C723BF5349C1FCD37D53476F64 |
SHA-256 | D82DC685A36A54D6CD14385F47571133DAC46366C877C14EE103F8D0C0DC18D3 |
SSDEEP | 98304:+FOp97fUiYmEks9gGHBB6VxXM78mZrck5ITUaBFgVkCq+mEcit6t5daCMPEmO40z:OzMEksqY6Vm8mZnIIagOLtxMcmOv |
TLSH | T142B61840EFF39EF1E3410CF407277434D9282B15449E6DFAABD42646AFB9B44AA6D813 |
Key | Value |
---|---|
FileName | ./usr/share/doc/gromacs-openmpi/README.Debian |
FileSize | 794 |
MD5 | 9950228CC5880DED4B74AD6905D6ADB6 |
SHA-1 | 6B0EA47388A54C88AB4A83D47088DDB1115DE992 |
SHA-256 | BEE2C14E45F7624FC76CD2EC91E723F6594FC741358A65A3573FD3F4805E9E87 |
SSDEEP | 24:T7dFp/0gARrMe/l7AOsfH3bh0JXFDuF4fO7:TBVCrM9OGmJlJf8 |
TLSH | T16201153DBDC8936010C2D895D20C59D8C369851817BC8581395D765D8B0043627DFD72 |
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/man/man1/mdrun_mpi.openmpi.1.gz |
FileSize | 9238 |
MD5 | 80418BE7DF74E2EAA8E81414A0DF2211 |
SHA-1 | 788D0CBE3EADDAC2973B8043F0D3B8DA40996EA6 |
SHA-256 | 9291DD7AF5EE42EABA4AEC13739CD457BDC4A467F4FF03DD2B13EA3C6E6B5247 |
SSDEEP | 192:cuxV/ugGADKiyVVGGqPk5zuBb8Rnr1DS0lif4DzIc4oO8:c2/u8Ki+OOzuB2r1DfU4DzIcTO8 |
TLSH | T11712B0E9C471B229DE53852353F4776953A72173349D56CA078230A004E3DDB677C3A8 |
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/bin/mdrun_mpi.openmpi |
FileSize | 10552928 |
MD5 | 481A4C304047A723AA0F5F1A13BC089A |
SHA-1 | 9345EBB4C328A79EE57B48CEB7941C8DDED8B7ED |
SHA-256 | E79488BDEFB263E4214546F1E8D5E828339541A4A96865422D665724BB6DFB55 |
SSDEEP | 196608:lPhEZyT6mpwZmacPPsDy8sf9+/uuVdezL:skT6mpimrPPsDy8sfkG0dA |
TLSH | T1BEB61920EFEEAAE0D9930CF1502F5538E5702F074016B5B7FBE02A54AD96B9C81725DB |
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 |