| Key | Value |
|---|---|
| FileSize | 6248398 |
| MD5 | 2FBD61ED25FAA5B7BA2BCBB3FAA27E77 |
| 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 | 3D2550AFD1A244A3B58587337047121B2BB4AAA0 |
| SHA-256 | AF717E2676B28C415F694FD2BD01BBBC25ED4AB1DC6B39A6685BE4D67F38E132 |
| 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 |
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| Key | Value |
|---|---|
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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 |
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