| Key | Value |
|---|---|
| FileSize | 8605840 |
| MD5 | 9D9CCAA963AB5EB110872B46C27546B5 |
| PackageDescription | Molecular dynamics sim, binaries for OpenMPI 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 OpenMPI interface. It is suitable for nodes of a processing cluster, or for multiprocessor machines. |
| PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
| PackageName | gromacs-openmpi |
| PackageSection | science |
| PackageVersion | 2019.1-1 |
| SHA-1 | 6D4ACB1273D275A35F89C10FB33D1B48ED1F6C77 |
| SHA-256 | D76B2BC85E606532675EBCBCFF8772E1D2FF317DF11199B39E26479C93FB93DA |
| 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/share/man/man1/mdrun_mpi.openmpi.1.gz |
| FileSize | 6143 |
| MD5 | B5C3F5FAC88B0C859D596676E59EC864 |
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| SHA-256 | 6922FCC8CFF5E9BBBA2F4096F0787FFB460D06EC4CFCC4B4C82281C0DD8EF078 |
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| Key | Value |
|---|---|
| FileName | ./usr/share/doc/libgromacs3/copyright |
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| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi_d.openmpi |
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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 |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi_d.openmpi |
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| Key | Value |
|---|---|
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