| Key | Value |
|---|---|
| FileSize | 6820876 |
| MD5 | 6021FFEF00952D022B42C20618E3BDA2 |
| 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 | 2020.1-1 |
| SHA-1 | 8695691F846364DE4C25F6FCA76A996E67678551 |
| SHA-256 | B7DC910D64C9BF97F0E6ED0C7EC60BF071E9854827E8121B9943FA0B073FE9B5 |
| 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_d.openmpi |
| FileSize | 9500440 |
| MD5 | 548EF32A7CCD9C63F3FF02C92725C34B |
| SHA-1 | 2B54386C85DF1A2F8634710DD0CB9F7587315942 |
| SHA-256 | A7AA7D02E4A4172B488D5F6C3D4416EA9A1231DEC22E4D3666D75BC1416C8A0B |
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| TLSH | T1E9A64C4EB1D22C7CFE9B697042A6B427A1243619026C2DBB17C35D681E67F102F77E27 |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi.openmpi |
| FileSize | 8967960 |
| MD5 | 2FB37B142978F62C2CDA2B27A3BC56AF |
| SHA-1 | F8DB63BA2EE12B30934A578D0F15684FD8C23342 |
| SHA-256 | 4434F7C8FD9EFE4FEF59F7191513A463E8E9D1010261FE17C1FAEDBD81699DB2 |
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| TLSH | T1C4965B05B5EE94E8D4EB8C7062AAF46BF9313412052529F733D499281F73B142FB1E6B |
| Key | Value |
|---|---|
| FileName | ./usr/share/lintian/overrides/gromacs-openmpi |
| FileSize | 418 |
| MD5 | B9F5A5F0B25A5446BFA06E6851C4636A |
| SHA-1 | 2AB62C81162F646B5AADA6AEEEF391CB83525710 |
| SHA-256 | 868A3A42C64BC250986E52B6252B18D92DB44D3B0445F601724383FDE17259E2 |
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| Key | Value |
|---|---|
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| Key | Value |
|---|---|
| FileName | ./usr/share/doc/gromacs-openmpi/README.Debian |
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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 |
|---|---|
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