| Key | Value |
|---|---|
| FileSize | 6858912 |
| MD5 | 8E2B234276D9F427F0E9218956722ED7 |
| 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 | 2020.4-1 |
| SHA-1 | CEF9DC28444C68B7B64D677231146BBC4989E051 |
| SHA-256 | F927E1F665CF090B8C9F860CC81CECB4F7EA3D6221DE5348D0AF30C53138568D |
| 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.openmpi |
| FileSize | 9033592 |
| MD5 | 5824EB4D36EA7EDF5B7F3B351F938A6E |
| SHA-1 | 5295D4D763371C12B3A5168C8CF052CF51B1761F |
| SHA-256 | C2332E63627DB83EFBFA77332DD40F703EEF01B82C29CFF4CA818815ADDC375E |
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| TLSH | T170965B06B5ED94ECD5DA8C3062AAF46BF9313412062529E733E459285F73F101FB2E6B |
| Key | Value |
|---|---|
| FileName | ./usr/share/lintian/overrides/gromacs-openmpi |
| FileSize | 433 |
| MD5 | 3C9ABFCC131216C1E9CE88D91F5C2E79 |
| SHA-1 | 9596C663E0AB79F0AD47DDD1B651E90A2A463CC8 |
| SHA-256 | 7BA81D4492F010DCBB09472AFDF5F9433403C1E2988DFBF5D5EAF784DFF7B4C9 |
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| Key | Value |
|---|---|
| FileName | ./usr/share/doc/libgromacs5/copyright |
| FileSize | 30450 |
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| SHA-256 | B92B8CC7E2AAA47DC7D6B75FB1D8CA576AF1C35407FCA872DE7668C79640EB6C |
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| Key | Value |
|---|---|
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| FileSize | 798 |
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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 |
|---|---|
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| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi_d.openmpi |
| FileSize | 59 |
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| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi_d.openmpi |
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