| 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 |
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| TLSH | T15B56AE069F584FE3D0E3CD32492EC762865D198B01ED672BB8BC875D39D6248DFA7884 |
| Key | Value |
|---|---|
| FileName | ./usr/share/lintian/overrides/gromacs-openmpi |
| FileSize | 220 |
| MD5 | 1A3E90740CE222FB6631BBF1686BA4C3 |
| SHA-1 | D4AE54ED72EF7F12329581E09A48031AB8B3AE5A |
| SHA-256 | A02A8AD2E69D285065BBA2B9935EE965584A82E9E824FD15B57DD8361D166C4A |
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| TLSH | T1D5D0A7A9D1C45037614F0E96C2CE96705380F088BA21FA855F8883930A4251A1E4546C |
| Key | Value |
|---|---|
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| Key | Value |
|---|---|
| FileName | ./usr/share/doc/gromacs-openmpi/README.Debian |
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| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi.openmpi |
| FileSize | 57 |
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| Key | Value |
|---|---|
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| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi_d.openmpi |
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| Key | Value |
|---|---|
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