| Key | Value |
|---|---|
| FileSize | 8245924 |
| MD5 | 9A3DE57572E146B577959ACE3713AEF2 |
| 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 | 2019.1-1 |
| SHA-1 | B61940CCD42ED1A428FDC7375023F7673DF5C193 |
| SHA-256 | BCBAE418090663A95501DBD215865F2448CC3C00946F12BD28CE6B8B7ACAB873 |
| 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 | 6143 |
| MD5 | B5C3F5FAC88B0C859D596676E59EC864 |
| SHA-1 | 073F57C3EEBE1DA4ED1684E37BBA0EEE6AB52D10 |
| SHA-256 | 6922FCC8CFF5E9BBBA2F4096F0787FFB460D06EC4CFCC4B4C82281C0DD8EF078 |
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| TLSH | T117C19F64EB6CA0F036B13B311751923363EA69F78315D09971FC3B2913B1B883AC49B9 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/libgromacs3/copyright |
| FileSize | 21613 |
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| SHA-256 | 9CED92A1EF81400F4CE9CF0666599ADA7AECF334B8F589E0BC0EC35489805CE2 |
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| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi_d.openmpi |
| FileSize | 59 |
| MD5 | 21ACEFEBA9F4276C423FB89E2540ABBE |
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| Key | Value |
|---|---|
| FileName | ./usr/share/lintian/overrides/gromacs-openmpi |
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| MD5 | 1A3E90740CE222FB6631BBF1686BA4C3 |
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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/bin/mdrun_mpi.openmpi |
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| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi_d.openmpi |
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