| Key | Value |
|---|---|
| FileSize | 3856276 |
| MD5 | A2637AE5E11C345FD80D5DDE4C0158F2 |
| 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 | 2016.1-2 |
| SHA-1 | 744461C7654EACE9D28069145474E85F07BAB3F4 |
| SHA-256 | 370C7AE4D46E2D8E525B8FA60F31EC457EE159EFC706F3FB1EF2CCFD8D608BC7 |
| 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 | 6070368 |
| MD5 | 3C72B8E11D555CD8A8584E2F64CAF3FA |
| SHA-1 | 846F2F81C9E7899B364C68A8840DB222BF600637 |
| SHA-256 | 29D2415243C59960224F7F45BDB051E78EFA80C5A31D5BEBB74946E7E965BE14 |
| SSDEEP | 98304:oPiTQX3dejQbxuhHHhtsjqrtD/cQ98m/8YH2/8YHVwPPG5QAbRg8AgKcsZ4l6m:oaYbxuhHHhtsmGQGm/8YH2/8YHWL |
| TLSH | T1BD56AF176B4A0F42E1D2CF30883A827A852C1D572392C51AFAEC67567FAB34D8F479C5 |
| Key | Value |
|---|---|
| FileName | ./usr/share/lintian/overrides/gromacs-openmpi |
| FileSize | 220 |
| MD5 | 1A3E90740CE222FB6631BBF1686BA4C3 |
| SHA-1 | D4AE54ED72EF7F12329581E09A48031AB8B3AE5A |
| SHA-256 | A02A8AD2E69D285065BBA2B9935EE965584A82E9E824FD15B57DD8361D166C4A |
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| TLSH | T1D5D0A7A9D1C45037614F0E96C2CE96705380F088BA21FA855F8883930A4251A1E4546C |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/libgromacs2/copyright |
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| SHA-256 | 391576D84ACBD271000C0A06991B3996EDAD3670F9D89F7252D33778CF6BA28D |
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| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi.openmpi |
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| Key | Value |
|---|---|
| FileName | ./usr/share/doc/gromacs-openmpi/README.Debian |
| FileSize | 798 |
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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 |
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| Key | Value |
|---|---|
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