| Key | Value |
|---|---|
| FileSize | 3763042 |
| MD5 | 8258326ACD3FE14D23C6AD0A05FB79F0 |
| 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 | 5B27CF54461D6301528B182EA0A99DD4C69B9798 |
| SHA-256 | 1CD8B8D1F3D953E8A20DA3250D0C577CE2D00AF89C84322FEEA432017838E563 |
| 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 |
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| TLSH | T13EF02E6AE0D5903FD09A0F97C2CAA6706340E1CCF731FF456BC403920B623460D818AC |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi_d.openmpi |
| FileSize | 7810736 |
| MD5 | 6737568CA4453F592FC4E9ED8FE69622 |
| SHA-1 | 7867BD3AED91C17E0E1A93EF6AA51B3FC35E25EE |
| SHA-256 | 1A818A75F29C401004AACD2C61711D4DC42573DAEB2FB28AB0662573739EA05D |
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| TLSH | T18E76D383E8417B7795D52B7EB1FC42B472432F7DE5EA31427C02C643398E28658B9E62 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/gromacs/changelog.Debian.gz |
| FileSize | 10441 |
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| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi.openmpi |
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| Key | Value |
|---|---|
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| Key | Value |
|---|---|
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| Key | Value |
|---|---|
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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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