| Key | Value |
|---|---|
| FileSize | 3854696 |
| MD5 | 2EF6B7DA348AE84129047C8373DD8988 |
| 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 | 2020.6-2 |
| SHA-1 | BCBBF8006A75FB28C2C87B26DB6B88DAEDCECB52 |
| SHA-256 | 9FD53768D9FAD763E46C9E8AE90D352F8D957FACC7EE85FBB1846FFECD065185 |
| 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 | 7444960 |
| MD5 | 1E01C87EE7E465BCF5809DDF0E0EAB90 |
| SHA-1 | 5674A151C878B2A666EAF6F89C2488E137832AE6 |
| SHA-256 | 242F3BBB30D5D60728E54D09C9D84833AC28174B63283244F492B6C2693C3AD7 |
| SSDEEP | 196608:IcG0dx27i3vJe7ioEyl7id6U77i17iGPB7iWnTF77cIQrl1Oz:V0e |
| TLSH | T14C76AE526B490F53D0D7CF348C3BC2B6821C6D976660891AFEEC4759AB5B34E4B8384E |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi.openmpi |
| FileSize | 7412192 |
| MD5 | 3AB8F94F7F95528E7768A1242440A3A8 |
| SHA-1 | 78D185B538BDCC1136A7147A630036742B4AF74A |
| SHA-256 | 8BB859C884747BAAB6C89736815A1C735F3A094D211F8CF4383262529BB9551D |
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| TLSH | T166769F526B091F53D0DACF308C3AC176421C6D976270C916BAEC0A6DBB6F39E47D394A |
| Key | Value |
|---|---|
| FileName | ./usr/share/lintian/overrides/gromacs-openmpi |
| FileSize | 433 |
| MD5 | 3C9ABFCC131216C1E9CE88D91F5C2E79 |
| SHA-1 | 9596C663E0AB79F0AD47DDD1B651E90A2A463CC8 |
| SHA-256 | 7BA81D4492F010DCBB09472AFDF5F9433403C1E2988DFBF5D5EAF784DFF7B4C9 |
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| Key | Value |
|---|---|
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| FileSize | 798 |
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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 |
|---|---|
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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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