| Key | Value |
|---|---|
| FileSize | 6112416 |
| MD5 | B8C2B09AEBF23CEB3AB4A884E947E014 |
| 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 | 632203BBEA8C03A05E14576B6743B92749C7B78E |
| SHA-256 | 953720717811C95F8DAC73A9E77D4A3B06C7ADA5E460138E64031E4B55E3BCF2 |
| 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.openmpi |
| FileSize | 8941072 |
| MD5 | 583230535CDC262D23D8173F2AF236F3 |
| SHA-1 | 07962E2AEAD1885A130525F3EE26084C13BB7508 |
| SHA-256 | 9D6AD415E40002AC69A3F9F55F91F9FDB9E91C9F9CD732E0CD3D60E57ED4E2AF |
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| TLSH | T1F9965A50EFF9A6A1EAA30CF0211F6569D4703E170013B1B3FBD42E54EDA2B984572AD7 |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi_d.openmpi |
| FileSize | 9797136 |
| MD5 | 5031B10D96F9DEC1702C51511F4431E1 |
| SHA-1 | 3EB6F1C253587809F625F8CD7039CF59FFC37BFC |
| SHA-256 | DD8BE9F3288EF633922111E7825B3A3796408BAB224F7C1185F1E14F9216FBD5 |
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| TLSH | T152A62940EEF3DEA1E34208F512577466D9183B21045EACFFEFC51A46AE797802A5CE27 |
| 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 |
|---|---|
| FileName | ./usr/share/doc/gromacs-openmpi/README.Debian |
| FileSize | 798 |
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| Key | Value |
|---|---|
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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 |
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