| Key | Value |
|---|---|
| FileSize | 6370288 |
| MD5 | 96D8876D9360B09EFE6E8A6B11515A08 |
| 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 | 2021.3-3 |
| SHA-1 | 845D2028CEE68943A89B2E3D9DFD33592BA1EEB7 |
| SHA-256 | 48A69FC3B687330EDF8107D6FF39EB1128B0A25B80E84045C0B52D9A47735DA7 |
| 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 | 9264812 |
| MD5 | EB8B5171573165A517968D6A0058CA69 |
| SHA-1 | 320A8DCDC2F0E1A7E4BA6D14D0BA1E8D498FE61E |
| SHA-256 | 263A0E30AD5ED7822527FD3BD37FFABD4465F1C25C316C035B093FA752B25ACC |
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| TLSH | T1C7965B50EFF9A6A0EA930CF0211F6569D4703E270013B1F3EBD42E54EDA2B984576AD7 |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi_d |
| FileSize | 10100396 |
| MD5 | 184994D0F4B8A3FC9454963EE3591C7D |
| SHA-1 | BE3794DE6D4C4A3400F5F04EA9C2A0F942B6790B |
| SHA-256 | BEF4AF97E92EA625CD45D49956637E00EA119989268771097A8D78920BF2A45D |
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| TLSH | T1FFA63940EEF3EEA1E34208F413577425D8183B21145EACFFAFC55A86AE79780295DE27 |
| 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 |
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| TLSH |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/libnblib0/changelog.Debian.gz |
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| Key | Value |
|---|---|
| FileName | ./usr/share/lintian/overrides/gromacs-mpi |
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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 |
| FileSize | 51 |
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