Key | Value |
---|---|
FileSize | 3982226 |
MD5 | 244CD71F74F44B4E289C08B9A75B26BB |
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 | 2016.1-2 |
SHA-1 | 616313A885BC97992463CD065C0311FDF8CCE785 |
SHA-256 | FC137FB8D6F60E70AD71E4EC769B80831D92B51177C650915D01CE8CF930970C |
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/bin/mdrun_mpi.openmpi |
FileSize | 6021096 |
MD5 | 5222D477AB2F6734701E6B5EB930A4D3 |
SHA-1 | C38C99C663C2986E4311F3DB1E1928C459A889C0 |
SHA-256 | C706EAB23D197A10F9797C70BCCA245E3971014F1508A4A57E86C24E0F74FE8C |
SSDEEP | 98304:Vg+Vm/D73m+5lqn6Z2HHJHFm8c9/xzSM:V7VcL5EJHHDc9 |
TLSH | T142568D06AF454FE3D2D3CC31452ECB065A5D588B01B8963B78B8874D799B38AEFD3984 |
Key | Value |
---|---|
FileName | ./usr/bin/mdrun_mpi_d.openmpi |
FileSize | 5996892 |
MD5 | E3E49FE3F6269844B65771BDDDAD9D9D |
SHA-1 | 384DCA1AACEF380C87AB1A8B515630D1C0C54B81 |
SHA-256 | 0D998EBBF45C4CE1C97B7CF994762EBCC412F83917EBA82F33ED087E6F7B85E4 |
SSDEEP | 49152:YJ64IFzO98Ra328jF/FiabyGJHqi/T+4QrS2I6k08V+u7ycYLJyRqzlIbFplXpvL:87IFC2Rb0mtkUVcY8WkBc |
TLSH | T15B56AE069F584FE3D0E3CD32492EC762865D198B01ED672BB8BC875D39D6248DFA7884 |
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/libgromacs2/copyright |
FileSize | 21568 |
MD5 | 15982510C6CA33F14C8C180C55C8E499 |
SHA-1 | 529543E9A3B42F118C104207C6F8D19C7469898B |
SHA-256 | 391576D84ACBD271000C0A06991B3996EDAD3670F9D89F7252D33778CF6BA28D |
SSDEEP | 384:SZtlNSU3RyVCUaos86tyrscrsk1DLAfrsBrsJjDqBd3R7dhf7L/3fLrsCrsRm1D4:SZtlVRoBa/tyvJDLAfiIqBd3j1LlRDLs |
TLSH | T1E3A2092B734803B319E206A1B64999C8F21F813E77275A84787DD21C233BB2DDAF7095 |
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/man/man1/mdrun_mpi.openmpi.1.gz |
FileSize | 5884 |
MD5 | 44A2F3D28262BB2866DEC2CC4660646E |
SHA-1 | FF6FCB81C2BD25F1E0AB09B6C28E264EDC1FE1EC |
SHA-256 | C607C60CBA7DC171E57E5A184A1B7257EB32645889B6D1349AF9C76E4601A8C8 |
SSDEEP | 96:k6CtI2vKIknD8IWX+VLIZbbR4XWoAYlMxl+W96KVX3reH+RWnAFJMK5h9uP6I7i/:kNbZE8IWmUbdTCY3YnP0h9uhmKW |
TLSH | T1B4C19E5B9DE0E8A5F50FD49C0082B8A7E3E4EC239100446976DD975C807F711C4F19E6 |
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 |
Key | Value |
---|---|
FileName | ./usr/share/doc/libgromacs2/changelog.Debian.gz |
FileSize | 12641 |
MD5 | C08ACF8DC90AE800B961E44CE5D6894B |
SHA-1 | 7EE079C5E696A5300FD258539AC1439D8D29B98D |
SHA-256 | D154F6FC8FC50D52D8C5C295A692A6B675EDDECA122F48E06AF0C5D0E68D90BB |
SSDEEP | 192:YH9Q6ITRYlT5WcuN8Z1HG21YQvCg5hdB1BzQZ9YXAE4+OqRtnKR8uvNvonif+1UC:RRQY9NYNZYQ7/BzQZ9BE4oUHTfhzo/uO |
TLSH | T15642B01B74591D952BD03494B34101DB23DCACCEEABBFC087AE92A8900279E65CF587D |