| Key | Value |
|---|---|
| FileSize | 7908846 |
| MD5 | 32EC6434EE2037F78B86C4043D7FEE82 |
| 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 | 5C8289295DFD2004725C4D0C2209280B990118FB |
| SHA-256 | 1DA5A42CCD8D1D683656B1426BC8F019E1AB31F02C29746362483F58ECB671E4 |
| 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 | 10909192 |
| MD5 | B54ACFBED7CD763ADE2F12014A9B8DA0 |
| SHA-1 | 9FA5ED5FDFB7EACEE66468AE7E06971E2808295B |
| SHA-256 | 3A9475419410A336408755F6E329EE65D8278B656FBE7BE1C07A8B65D479D02B |
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| TLSH | T1BFB63941F9EEA4D9D4A79C7062B9F42FF92134120A0919E363E1582C5F7BB500FB1E6B |
| Key | Value |
|---|---|
| FileName | ./usr/share/lintian/overrides/gromacs-openmpi |
| FileSize | 472 |
| MD5 | B22E040C1A5D84530AD2ADC38361ED61 |
| SHA-1 | 3C9751A93FC1B3EFEA8E21964E5DE094FD2B829E |
| SHA-256 | FCD49548EEA574854AC4B7D1270D3032F162C56A58A8EE13E5265DB8BA60BFCD |
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| TLSH | T13EF02E6AE0D5903FD09A0F97C2CAA6706340E1CCF731FF456BC403920B623460D818AC |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/gromacs/changelog.Debian.gz |
| FileSize | 10441 |
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| Key | Value |
|---|---|
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| Key | Value |
|---|---|
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| Key | Value |
|---|---|
| FileName | ./usr/share/man/man1/mdrun_mpi.openmpi.1.gz |
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| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi_d.openmpi |
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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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