| Key | Value |
|---|---|
| FileSize | 3999160 |
| MD5 | F4496CF934466CB2290ABB616DA4D185 |
| 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 | 2020.6-2 |
| SHA-1 | 848423DE8F062FD0D4088A7804335F9A90EB27C6 |
| SHA-256 | 55A6F816115D803B305DAF4367EA40D6428DF1C806646A99B707E78C643F371A |
| 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 | 433 |
| MD5 | 3C9ABFCC131216C1E9CE88D91F5C2E79 |
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| TLSH | T193E030A6E1C49037618A4D9AC2DA97749381E188F772BA85ABC842930B522061A494AC |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi.openmpi |
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| Key | Value |
|---|---|
| FileName | ./usr/share/doc/gromacs-openmpi/README.Debian |
| FileSize | 798 |
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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 |
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