| Key | Value |
|---|---|
| FileSize | 3311360 |
| MD5 | 613DD20B54D98ECE16B66E7AE20F5A4A |
| 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 | 8E1B1BEDFA6FA82E847A7E837BE24DD8C22924B1 |
| SHA-256 | 69EC5AD1C3B23702A7722F1F3D6235B5E6B70B3E90E5D683B9E31A990204FFD5 |
| 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 | 4170188 |
| MD5 | 93DD393257693E248A55B44E1B8A93DF |
| SHA-1 | 40ADFF33B034E8776D76CA30A8B10A65E5000854 |
| SHA-256 | DB30CCC56A679A7073350A1E7BAF1CC23D9F04796F1F657653E605F0E4807EE2 |
| SSDEEP | 49152:w4SpBNwhw2Q7XWdbC9gfJ7vwoM8qvu9vhIvbzueLYiehVPjEOhOrS4RdnayvL8Vl:w4SXNF2l5Nqv6hIv/rYH1ObayRCeSs |
| TLSH | T1FC16E00BE0230586F59CA839BAE7DF4459628586A0787FE93CC4A37077A71146DBF3E4 |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi.openmpi |
| FileSize | 4129276 |
| MD5 | B3FCE273253E2251EA3D51003E686E8E |
| SHA-1 | AB5583EBC4BE54EC164DFE4B031D0FA890DB23FB |
| SHA-256 | 9CD9594D23C643E9FACA9A919979A0BE1FE3F7F14864C16FB693AF6339A431A7 |
| SSDEEP | 98304:0ZjvvL4hursUfo8bOrc6qLoFQ3uIE/KKVt/:0ZjvMYr48KXqL6QeIE/K |
| TLSH | T12916F143EA020661CBF2E13EB5475B085D80D1E2527D7DCBC8C583A532DB6E8867F6B6 |
| 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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| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi_d.openmpi |
| FileSize | 59 |
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| Key | Value |
|---|---|
| FileName | ./usr/share/doc/libgromacs2/changelog.Debian.gz |
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