| Key | Value |
|---|---|
| FileSize | 7793934 |
| MD5 | A00CBCCE338476CBECFF733553F86A8F |
| 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 | 913E4CD1D098DC63004BD9A1152847835E909C0C |
| SHA-256 | 22EE4EA4297CFC531703563D71A8387119A83D1FFB79768D03B3953514FDC72B |
| 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 | 11134576 |
| MD5 | 99D0B26FE2F4DC97695FA028AA35847B |
| SHA-1 | AE114C7CBE601C6EE85BA3FE4C8EF5DF7B4399D6 |
| SHA-256 | 169E786D15D9D0EB82B9CE1894B94E774E00885B86F686B71A3874FE17EDB38C |
| SSDEEP | 98304:o8ntej0yOBeV3KWRaMYFBgXEI6ykm0Yx/Wr6Bs344MU1/c9bmvRG:o8Ij+y61/I6ykmV/k6Bs344MU1Gz |
| TLSH | T1C4B6F64DB4D26C7DFE9B7A7056B1B836E224360A429C1DA617C74D1C1E3AB002F27E5B |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi.openmpi |
| FileSize | 10839760 |
| MD5 | 099C91A57D0926E60501807371A259A3 |
| SHA-1 | 649ACDFCCDA206754E6C8222411EDAD5FB78C37E |
| SHA-256 | C9701DFEC6B2E351FE8A752F294FBD3C5F4A4315F20291C9C81FC2ABB2606C6F |
| SSDEEP | 196608:LbyVTycI8zPpdMx1w3ifzCP3p/8Vbc4m9sR:K9ymHM1ux34E |
| TLSH | T10CB62841F5EE94E9D8A6AC7072ADF82FF9223812050519F763E0092C6F67B540F71E9B |
| Key | Value |
|---|---|
| FileName | ./usr/share/lintian/overrides/gromacs-openmpi |
| FileSize | 220 |
| MD5 | 1A3E90740CE222FB6631BBF1686BA4C3 |
| SHA-1 | D4AE54ED72EF7F12329581E09A48031AB8B3AE5A |
| SHA-256 | A02A8AD2E69D285065BBA2B9935EE965584A82E9E824FD15B57DD8361D166C4A |
| SSDEEP | 6:SLQa2JbMOAoesrLyahL/FLSVqjIwTW6AoesrLyahL/FLSVxIwTWo:zHHAodrnhL/F/jIwtAodrnhL/F8Iwt |
| TLSH | T1D5D0A7A9D1C45037614F0E96C2CE96705380F088BA21FA855F8883930A4251A1E4546C |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/libgromacs2/copyright |
| FileSize | 21568 |
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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 |
| MD5 | DE33869B41EF132EA6AEB41D4E77AEFC |
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| Key | Value |
|---|---|
| FileName | ./usr/share/man/man1/mdrun_mpi.openmpi.1.gz |
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| TLSH | T1B4C19E5B9DE0E8A5F50FD49C0082B8A7E3E4EC239100446976DD975C807F711C4F19E6 |
| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi_d.openmpi |
| FileSize | 59 |
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| Key | Value |
|---|---|
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