| Key | Value |
|---|---|
| FileSize | 7827896 |
| MD5 | 1C7CAA7C9A3D08FD7EF378889D1D4589 |
| 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 | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
| PackageName | gromacs-openmpi |
| PackageSection | science |
| PackageVersion | 5.1.2-1ubuntu1 |
| SHA-1 | 29CBF749618A8B460FBAEC1AD6A27493ECD909A2 |
| SHA-256 | 1739C1B73AD768F368C3918941D750F58E7076344F0CC278531ED0696748719E |
| 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 | 5889 |
| MD5 | 8365C406D3DD578D773BC89DFB87275A |
| SHA-1 | 2C4528D9B4A9A31F6F40AA7A4ED4FC03AEA477D8 |
| SHA-256 | 3997AC699A85EB996A342BF12E8C0A12EF7CFFE8F2143D724F2F29113F617751 |
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| TLSH | T1CFC1AF277FD5341588269F65DCB7BBA5FD3984924C37022AA1F0439E13D00A114A771F |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi.openmpi |
| FileSize | 10661416 |
| MD5 | AAB2F15711EC653E7B027667631768A6 |
| SHA-1 | 6F74F21D7E9009CAC563632DCF74BD1E6A654E0F |
| SHA-256 | 0540CF3BFFF2E4876298F7966B04FE3DC4DBFCC4F1BB0F7F1636659D73C963FE |
| SSDEEP | 196608:FJ36XHsMngdv09SbhseNAm9f/4HI0WV72:tzvr/ |
| TLSH | T10CB61740F9EE95DAD4A79C7062B9F42FF92134120A1919E763E0582C5F37B500FB1EAB |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi_d.openmpi |
| FileSize | 11169288 |
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| SHA-1 | 683184E08C12E74F856419EAAC5B21EBEA28A11F |
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| Key | Value |
|---|---|
| FileName | ./usr/share/doc/libgromacs1/copyright |
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| Key | Value |
|---|---|
| FileName | ./usr/share/lintian/overrides/gromacs-openmpi |
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| Key | Value |
|---|---|
| FileName | ./usr/share/doc/gromacs-openmpi/changelog.Debian.gz |
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| Key | Value |
|---|---|
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| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi.openmpi |
| FileSize | 57 |
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| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi_d.openmpi |
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