| Key | Value |
|---|---|
| FileSize | 3359548 |
| MD5 | 2BA2491C956EC4E63640E973A7A2B8CF |
| 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 | 93BD498851DCD690656CBDFCD880B30DA2386751 |
| SHA-256 | 02218187E9494E9525B0B23D19B33FB7678B6AD8466A4B3153D1665748B4F5F8 |
| 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_d.openmpi |
| FileSize | 6690496 |
| MD5 | 87002ECF535CFB7B05D27A45AFBE953A |
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| SHA-256 | DAA0DB2B2F15F45C7BB45956AC50CE76C1DE0F5E8F007AC91532203354A588CF |
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| TLSH | T113666C97D8E1C78AC0B86D33E3A66FF79653357519E56E0C89ACCB3218A0220931DD77 |
| Key | Value |
|---|---|
| FileName | ./usr/share/lintian/overrides/gromacs-openmpi |
| FileSize | 433 |
| MD5 | 3C9ABFCC131216C1E9CE88D91F5C2E79 |
| SHA-1 | 9596C663E0AB79F0AD47DDD1B651E90A2A463CC8 |
| SHA-256 | 7BA81D4492F010DCBB09472AFDF5F9433403C1E2988DFBF5D5EAF784DFF7B4C9 |
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| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi.openmpi |
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| MD5 | 2999CCC5E94EED81BD55604CA06C9343 |
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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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| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi_d.openmpi |
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