Key | Value |
---|---|
FileName | ./usr/bin/mdrun_mpi |
FileSize | 7887152 |
MD5 | 7FBAA9F6642A862037FDE7B31A31A71E |
SHA-1 | E0D4BBF7F22E572D7466A9D5D7AB4D75FE49A148 |
SHA-256 | 2FE591FAAA9DDB8D15346CFD0FA82BD9D5E90C7157D1E8575726D337482269D8 |
SSDEEP | 196608:KU4kABRubYdoncNjQhaNI60sfekzjzUL8E:HAWbYdok06LLXzC8 |
TLSH | T137869E63330D6A96DB029C3B87ADBC617395358507244895BE44530FFFBDA2ACB1AE0D |
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 | 4666776 |
MD5 | 402C0FAEA7D551CD226F206D796698B8 |
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 | 06F620A4E9BF1714AA01511E5DDC5E46EAC44869 |
SHA-256 | 8FCEC5C9D183A145E926D08670532E6409F14407822DC7A222B8F792B6760F58 |