| Key | Value |
|---|---|
| FileSize | 6867360 |
| MD5 | D435E9A90AA450FCB0CE4C78A032F495 |
| 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 | C4F9049129FC1F37DA7B40C3FB6F156A22D7C9CB |
| SHA-256 | 51384A4AC3C06CE2720AF413C3EB6141CFEA3F0D7E551D72436C8D12120F8676 |
| 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 | 9471616 |
| MD5 | 22443B738DAAFED04747A77373FF67D3 |
| SHA-1 | FEC8DC41E35E826D18A3F9EC1AE17F00720CDB50 |
| SHA-256 | 2680F176E7B5B2DE3A385FC973258FA4E516AEE0357BCD252ACA177271655B73 |
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| TLSH | T1BC964C4EB0D22C7DFE9B697046A6B427A5243605025C2DAA27C35D581F2BF102F77F2B |
| Key | Value |
|---|---|
| FileName | ./usr/share/lintian/overrides/gromacs-openmpi |
| FileSize | 433 |
| MD5 | 3C9ABFCC131216C1E9CE88D91F5C2E79 |
| SHA-1 | 9596C663E0AB79F0AD47DDD1B651E90A2A463CC8 |
| SHA-256 | 7BA81D4492F010DCBB09472AFDF5F9433403C1E2988DFBF5D5EAF784DFF7B4C9 |
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| TLSH | T193E030A6E1C49037618A4D9AC2DA97749381E188F772BA85ABC842930B522061A494AC |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi.openmpi |
| FileSize | 8976000 |
| MD5 | B97A96482008032403482CC25E10383C |
| SHA-1 | 31DF293E168C90E682A988B7DE257CE7700C75B3 |
| SHA-256 | 7D83E445719A01A2C1DA7C46D6A110437CEC003C88E9B93C5202BD6DBBC3E962 |
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| TLSH | T18D964A02B5ED94E8D5E68C7062AEF46BF9313412051529F733E489286F37B101FB5EAB |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/gromacs-openmpi/README.Debian |
| FileSize | 798 |
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| Key | Value |
|---|---|
| FileName | ./usr/share/man/man1/mdrun_mpi.openmpi.1.gz |
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| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi.openmpi |
| FileSize | 57 |
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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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