| Key | Value |
|---|---|
| FileSize | 3629912 |
| MD5 | 8A809F0DA132B9417034EF5104F7E096 |
| 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 | 0A13A65620514F5E26CC9C354C016A0CF69D5F66 |
| SHA-256 | 895303C50DD86DCD9DB92F60C134ED03736664DCA87224EE45F420890F5FF6E6 |
| 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 | 6159940 |
| MD5 | 8F67EF514B11ABC306367A9CD981091D |
| SHA-1 | EC2E15522BD296F4DBB5C69F628F40D042E44537 |
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| TLSH | T16A564A87B841995185D12B77B13E99987303137AD3DB3007D9158B243BEBACE0D3EBA6 |
| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi |
| FileSize | 49 |
| MD5 | A2B907FDBE60B2B94A5881D36ED25931 |
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| TLSH |
| Key | Value |
|---|---|
| FileName | ./usr/share/man/man1/mdrun_mpi.1.gz |
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| Key | Value |
|---|---|
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| Key | Value |
|---|---|
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| Key | Value |
|---|---|
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| Key | Value |
|---|---|
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| Key | Value |
|---|---|
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