| Key | Value |
|---|---|
| FileSize | 3403696 |
| MD5 | 7E901246E5032CC2F3D81DBB4D388DA8 |
| 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 | 0B71E119E7F430E506C5C247A60C0205852B1C23 |
| SHA-256 | DE9AE9F4254E0BBCE56BA4C85BA22B91E5289E74A0833A9B74614EAA88726D48 |
| 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 | 4558416 |
| MD5 | BFB1C02609220DA2EDEE25A3205A25A1 |
| SHA-1 | 83E510FDA3EC10CE6EEA70C43EB961AE3CE1E298 |
| SHA-256 | 6A95D2BACA1D39F42C801D844F94289F0406A7F241234EBAE6233C1B4F33D1F0 |
| SSDEEP | 49152:tv/sCYMIIdoFS/YJiGheWQqCGmobVKTeP3KGCanRHVqzQvopGAwhBGdVcXQOlmVk:1siII1HGA6n9fKDc3hAcAITv6j9 |
| TLSH | T1EB260195D3330AA4D6D2E53EB58B2A003C15E15162F5ECC9A8D4D2EB32DF920477B7AC |
| 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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| TLSH | T11FC19EF5F734574E2CE91BA6024089B90BDA50BE8D998FC0ACA0C349D71E281DFD6CD8 |
| 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/doc/libnblib0/changelog.Debian.gz |
| FileSize | 18328 |
| MD5 | D1712676AC6948C582EAC2D85684C805 |
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| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi_d |
| FileSize | 4607568 |
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| Key | Value |
|---|---|
| FileName | ./usr/share/lintian/overrides/gromacs-mpi |
| FileSize | 385 |
| MD5 | 52ACA6578624AF4FF42D5C0B4E7B68B2 |
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| SHA-256 | C8FC469A283F6C57A6636B6AE6F3C639A3B07D8EFA56D207F20445CEB82C3019 |
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| TLSH | T1ABE0D898E2C4503BA14E4FDAC3D36B70920171C8EB72F7C49DCC61230D531122E454BC |
| Key | Value |
|---|---|
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| Key | Value |
|---|---|
| FileName | ./usr/share/doc/gromacs-mpi/README.Debian |
| FileSize | 574 |
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| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi_d |
| FileSize | 51 |
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