| Key | Value |
|---|---|
| FileSize | 6201278 |
| MD5 | D12A421BCF9C0403DF4A1F62877E1D57 |
| 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 | BBBCD0EB3D3DB682267623F09DBDADC590EEF7EB |
| SHA-256 | 05D918B97B16C54914DE7802FD4DE9FC11759EFE1DBA713B5999A058666B4BED |
| 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 | 10273208 |
| MD5 | B3E6734B0B6BCADAF851B93175046217 |
| SHA-1 | 2123AFFB003358C2C5B22AB0E0D544F79382F695 |
| SHA-256 | 723197C67974249C8E0FAD22EDF695AE3849911A93B525100F9A8BAD98F04DC0 |
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| TLSH | T1A4A60720FFEEAAF4DA930CB0502F1538D4706F074016B5B7EBE06A54AE96BAC41725D7 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/libgromacs1/copyright |
| FileSize | 20268 |
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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.openmpi |
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| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi_d.openmpi |
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