| Key | Value |
|---|---|
| FileSize | 3500764 |
| MD5 | 1517F7DA69DB6E8DA3D93055B183869D |
| 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 | 37EE9D17F05AC41F8F81F86419C19DC4B472698A |
| SHA-256 | 778994225F25B56A0AB2C9CFA24EC7361592EAF941D3A08BAE7D6552792908CB |
| 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 | 6249924 |
| MD5 | A3FC971B8469E3998463A176272EF3BF |
| SHA-1 | BBE8635609F36B64EBB5C7AC91DDA0F1BC399F97 |
| SHA-256 | 7CE384416D8DA93705D51B6756386ABD84D88146AA43AE4972EB2A956FB14D99 |
| SSDEEP | 98304:lF85BiMPJDnV/6gUhxaRglf0MCksLJ4qy9t:v85BiMPP6gExaRK0MC14 |
| TLSH | T1F3563A96B8806872C6D4277FB17E8AB833031BB9D3DB3401591283273BDB6861D7F656 |
| Key | Value |
|---|---|
| FileName | ./usr/share/lintian/overrides/gromacs-openmpi |
| FileSize | 433 |
| MD5 | 3C9ABFCC131216C1E9CE88D91F5C2E79 |
| SHA-1 | 9596C663E0AB79F0AD47DDD1B651E90A2A463CC8 |
| SHA-256 | 7BA81D4492F010DCBB09472AFDF5F9433403C1E2988DFBF5D5EAF784DFF7B4C9 |
| SSDEEP | 12:zHHAodrnhL/F/jIwtAodrnhL/F8IwkAj0YBCAodrnhL/F/jOmB/WOAodrnhL/F8R:znAod79F/jRAod79F8r9EAod79F/jTez |
| TLSH | T193E030A6E1C49037618A4D9AC2DA97749381E188F772BA85ABC842930B522061A494AC |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi.openmpi |
| FileSize | 5889476 |
| MD5 | 82E54B5234CB939FFE877C11270F89C8 |
| SHA-1 | 3A3FA114BBC204C90B827A37CE6C79719D0CE411 |
| SHA-256 | 32D976B16EEB1487AEB1F1D956BB2D601CD8482B4C2F9B90CBA5D7399DD9E535 |
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| TLSH | T1B8563A87B841986185D42B77B13E95A4B243137AD3DB3007C9158B283BEF6CE4D3E7A6 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/gromacs-openmpi/README.Debian |
| FileSize | 798 |
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| SHA-1 | D1C7F317A46AA0D135F06DEA00AE1F4A76AEDFE6 |
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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.openmpi |
| FileSize | 57 |
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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 |
| FileSize | 59 |
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