| Key | Value |
|---|---|
| FileSize | 3298340 |
| MD5 | 074FA2DD9427E0A273BC9A8C159C8056 |
| 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 | 590DE1602F938EB7884F8221678C2E53603F6B8A |
| SHA-256 | 75FEA571AE37392784EDE308EF4BF8DE9004ACFA98E3E048E3A7B3BE20A462AF |
| 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 | 4410832 |
| MD5 | A1DE0CB180B3B7AB92B6B6D10C00680D |
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| SHA-256 | 852BC783463C2192CFD304542BDFDB92CEFE5AC89AD969277354C505B4FB7D3F |
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| TLSH | T13F16F152E3030A68D6E1E43FB78B2A003C15D55522B9EEC55AC493EE73EED20417B7AD |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi_d.openmpi |
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| SHA-256 | 932CC92F404386A239ED4A17253BA1730F88B76DE4133E84C0E2A187169CF6ED |
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| Key | Value |
|---|---|
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| FileSize | 433 |
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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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| FileName | ./usr/share/bash-completion/completions/mdrun_mpi_d.openmpi |
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