| Key | Value |
|---|---|
| FileSize | 5473920 |
| MD5 | 9E688EBCF33306FCBE1515FA4AA6F7DC |
| PackageDescription | Molecular dynamics sim, binaries for MPI 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 default MPI interface on the chosen architecture. It is suitable for nodes of a processing cluster, or for multiprocessor machines. |
| PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
| PackageName | gromacs-mpi |
| PackageSection | science |
| PackageVersion | 2021.4-2 |
| SHA-1 | 7EA4C15CE84EE30A1E8A04E08899EEC00B7EFFF3 |
| SHA-256 | 6906C75C89C4BF8948C8468A36DE53336A85DBB3AFE809E0FED153AC86731862 |
| 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 |
| FileSize | 7489728 |
| MD5 | 8D63173B519CC7BCBDFD4DA003078B1A |
| SHA-1 | 160FBCA5F6267B6976ACDD053BE5AC22C2522C3D |
| SHA-256 | 7B15A1EE4573C35044D5190FE394D40231E54BE16EDFAB41FDC6A64AA22DF8C7 |
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| TLSH | T1FF76CF6EF90E7821E7CFF37C5F8B47A7761B2580D21290FA69028259A197BF0C7B5421 |
| Key | Value |
|---|---|
| FileName | ./usr/share/man/man1/mdrun_mpi.1.gz |
| FileSize | 5718 |
| MD5 | 84D68DC1DD6784D3E8E5BD74988C5DB8 |
| SHA-1 | 677327930623FC2ACDC992888DE876B15D6BBB35 |
| SHA-256 | AAE07B4E3A267C0F5A82A8FF7FA5A8CE0DADAE6A15C4EA2725B2D13F839379E8 |
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| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi |
| FileSize | 49 |
| MD5 | A2B907FDBE60B2B94A5881D36ED25931 |
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| SHA-256 | 30D9CE44E2F46981B4CC82D540544D03DC8786877611DAA75A1549069075E4FC |
| SSDEEP | 3:OJb1LHL6MTjFHnVM:mR/6MtVM |
| TLSH |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi_d |
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| Key | Value |
|---|---|
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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/share/bash-completion/completions/mdrun_mpi_d |
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