Key | Value |
---|---|
FileName | ./usr/bin/mdrun_mpi |
FileSize | 7593248 |
MD5 | EF543D1E48E2E16E9AEFB599F3D42465 |
SHA-1 | 90D06A58A11FE7137C9690277DF44A5A4460A464 |
SHA-256 | 50ADE7A06BCC706274870C2A487C2C93CB538268C5D75BEC74971F26CA27B869 |
SSDEEP | 49152:wLYU9GP5/UKPOvCiGOUsgxsEz8nwuTkqETo58MWmsqGIi8EVnmqKOFuVparDlfTZ:wLLXlX7PgsXOjVfLdfTlmrh9K |
TLSH | T12C768C01EF044FF3C1D7CC31293ED30A199D5D4712ECAA2AB8B8868D795A349BBD7589 |
hashlookup:parent-total | 1 |
hashlookup:trust | 55 |
The searched file hash is included in 1 parent files which include package known and seen by metalookup. A sample is included below:
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 |