| Key | Value |
|---|---|
| FileSize | 3798784 |
| MD5 | 060C9136C062054AAF4CDCFEB5879B31 |
| 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 | 17706DADE81A4F7A91410BC65213BEBF793B99C1 |
| SHA-256 | FE1EB6C1A80EBEB0BAB14465E91E5D8E9481CD923CEB36327BAC3BD9256FEEF8 |
| 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 | 5413888 |
| MD5 | 2268C0885032404A476E882D77BEDDAF |
| SHA-1 | 426B0D82E675203197084CA0DB7DBADE99A02F0E |
| SHA-256 | 0663DCE35813EF54636D6F4FB61154A0E4E658DC501A06CC247B926DD89E72B3 |
| SSDEEP | 98304:wElWOSNWu46W9hkuC17T5BoyrAJI7VvSK65YMzZG+wkswo:wElKNWHbS17TfXrSI7RSK6X |
| TLSH | T18946CF1EAA0DBD63EAC9F63CDF494325B11766A9D33180EB7903839D75C39E0C6B5902 |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi_d.openmpi |
| FileSize | 5348272 |
| MD5 | 87539B1D8602BEEA553CBC0E7AABACA9 |
| SHA-1 | 976CE2522A9E3480D49F55C9DDB2A47C4CDFB07A |
| SHA-256 | F4FC56CC475AB328E2BBDAD4B887C0B693DC5551B62CFC3DC57DFB29B3E23A3B |
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| TLSH | T1F636C00EEA0EBA62EAC5B63C9F494721711775BDC326C0BF2907829D35C74E1C6BD621 |
| Key | Value |
|---|---|
| FileName | ./usr/share/lintian/overrides/gromacs-openmpi |
| FileSize | 220 |
| MD5 | 1A3E90740CE222FB6631BBF1686BA4C3 |
| SHA-1 | D4AE54ED72EF7F12329581E09A48031AB8B3AE5A |
| SHA-256 | A02A8AD2E69D285065BBA2B9935EE965584A82E9E824FD15B57DD8361D166C4A |
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| Key | Value |
|---|---|
| FileName | ./usr/share/doc/libgromacs2/copyright |
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| Key | Value |
|---|---|
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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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