| Key | Value |
|---|---|
| FileSize | 7054596 |
| MD5 | 876AC22FF1E2A6C3F42FB2F15C88DC08 |
| PackageDescription | Molecular dynamics sim, binaries for MPI 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 default MPI interface on the chosen architecture. It is suitable for nodes of a processing cluster, or for multiprocessor machines. |
| PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
| PackageName | gromacs-mpi |
| PackageSection | science |
| PackageVersion | 2021.4-2 |
| SHA-1 | 3E518078EAC0EB52AAB26EB3ADCBF3DBEFCD8D85 |
| SHA-256 | 3BDC90983C9BAADA1BE69D052AD2F7CE562051621CF36248D8D723E00F381EFF |
| 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 |
| FileSize | 9258872 |
| MD5 | 93F01E89E8011DEF16697370120615ED |
| SHA-1 | 64EE02EE5A9101FCF98ADD60065300C61E25675E |
| SHA-256 | A0F6A601ABFEC34C7FCF84A269337756BD70BAE32F7D738FAB79DF7D678CF8DF |
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| TLSH | T186963902B5EE94E8C5E78C7062AAF46BF9217412052539F733E05A285F33B141F75EAB |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi_d |
| FileSize | 9758584 |
| MD5 | 307B7069E81D47C811F57A7C6AD8A59C |
| SHA-1 | 73B374CFAD9AD209DA33DA4771270FCC731446AB |
| SHA-256 | 0D131218C1EF97EA71F492DC43A55FCAD7696FF3398EECFD57DCC49782BD2059 |
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| Key | Value |
|---|---|
| FileName | ./usr/share/man/man1/mdrun_mpi.1.gz |
| FileSize | 5718 |
| MD5 | 84D68DC1DD6784D3E8E5BD74988C5DB8 |
| SHA-1 | 677327930623FC2ACDC992888DE876B15D6BBB35 |
| SHA-256 | AAE07B4E3A267C0F5A82A8FF7FA5A8CE0DADAE6A15C4EA2725B2D13F839379E8 |
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| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi |
| FileSize | 49 |
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| TLSH |
| Key | Value |
|---|---|
| FileName | ./usr/share/lintian/overrides/gromacs-mpi |
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| Key | Value |
|---|---|
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| Key | Value |
|---|---|
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| Key | Value |
|---|---|
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| FileSize | 574 |
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| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi_d |
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