| Key | Value |
|---|---|
| FileSize | 4501308 |
| MD5 | 883448B0F551AC2751F805ADB22ECD9D |
| 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 | 2019.1-1 |
| SHA-1 | 9958FEE64B9FE6EFC050065B39CD7201D25E62BE |
| SHA-256 | D5B786A44DA982F6E3656F608B7B0CE2000AB261EE0D8525FE557C0D1AD88D11 |
| 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/man/man1/mdrun_mpi.openmpi.1.gz |
| FileSize | 6143 |
| MD5 | B5C3F5FAC88B0C859D596676E59EC864 |
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| SHA-256 | 6922FCC8CFF5E9BBBA2F4096F0787FFB460D06EC4CFCC4B4C82281C0DD8EF078 |
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| TLSH | T117C19F64EB6CA0F036B13B311751923363EA69F78315D09971FC3B2913B1B883AC49B9 |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi.openmpi |
| FileSize | 7249796 |
| MD5 | D935D64CB16315794C625F9904959EF7 |
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| SHA-256 | 2A5E2874C6C99376CB3820196F85CC2879367786CC2D34266094152CFEAFBE7A |
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| TLSH | T19D767C41AF595FE3C1D7CD31193FC702099D588B12B8973B7CA8864E794A389EEE3984 |
| 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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| 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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