| Key | Value |
|---|---|
| FileSize | 4112868 |
| MD5 | 875122E05FCF9389311BA0BE7C493783 |
| 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 | 2021.3-3 |
| SHA-1 | 1D63347C6BC121D044E7A6B3FB63A43E22034357 |
| SHA-256 | 6CCF5F49E0EB10CF1D063CDBD77B211C4921CE5F81E138A01CAE9C778680FDD9 |
| 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 | 7593248 |
| MD5 | EF543D1E48E2E16E9AEFB599F3D42465 |
| SHA-1 | 90D06A58A11FE7137C9690277DF44A5A4460A464 |
| SHA-256 | 50ADE7A06BCC706274870C2A487C2C93CB538268C5D75BEC74971F26CA27B869 |
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| TLSH | T12C768C01EF044FF3C1D7CC31293ED30A199D5D4712ECAA2AB8B8868D795A349BBD7589 |
| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi |
| FileSize | 49 |
| MD5 | A2B907FDBE60B2B94A5881D36ED25931 |
| SHA-1 | 6F8C29D1C0BD418789A6EEEA149A23501E3C9BA2 |
| SHA-256 | 30D9CE44E2F46981B4CC82D540544D03DC8786877611DAA75A1549069075E4FC |
| SSDEEP | 3:OJb1LHL6MTjFHnVM:mR/6MtVM |
| TLSH |
| Key | Value |
|---|---|
| FileName | ./usr/share/man/man1/mdrun_mpi.1.gz |
| FileSize | 5718 |
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| SHA-1 | 677327930623FC2ACDC992888DE876B15D6BBB35 |
| SHA-256 | AAE07B4E3A267C0F5A82A8FF7FA5A8CE0DADAE6A15C4EA2725B2D13F839379E8 |
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| Key | Value |
|---|---|
| FileName | ./usr/share/doc/libnblib0/changelog.Debian.gz |
| FileSize | 18328 |
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| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi_d |
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| Key | Value |
|---|---|
| FileName | ./usr/share/lintian/overrides/gromacs-mpi |
| FileSize | 385 |
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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 |
| FileSize | 51 |
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