| Key | Value |
|---|---|
| FileSize | 3393356 |
| MD5 | A01EF97B6DC1000707616B04ADBE6C2C |
| 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 | 0B7C2C81900DDAEED0B924E8B9D9EAA8B33BBD4C |
| SHA-256 | E3AFDC33626EF25F151D16F7690F2696D7449053083E86399C5A851F7991D025 |
| 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 | 4550208 |
| MD5 | 3E8CA6B98EF678574C8FE5EDF70EDDF4 |
| SHA-1 | D50A0F367AC263D8B9F02289ECF64006F561DBCB |
| SHA-256 | BC9A3534FB49E80C9CEED74C5A339386302035B0FFD0AA03249A14F8C719511B |
| SSDEEP | 98304:+gmRPo4D9CmNRJD8RTR2YTi4ypQPEOo2g:RmRQ4D9CmNX89oYTlypQP1g |
| TLSH | T1E6260191E3330A65D6D1E93E7A8626003D01E5A572F5DCC9A8C4C6EA33DF920437B7AD |
| Key | Value |
|---|---|
| FileName | ./usr/bin/mdrun_mpi_d |
| FileSize | 4595264 |
| MD5 | A8DE0ECCF06989683AFFD6C18ED92B88 |
| SHA-1 | 198DE904BF0E8B0C33AF1BAAB539792803BF8E14 |
| SHA-256 | FEACF05DF0B9B8382D86B1932777A4B5FE69E9F458BF25AF2156437D4FE2D797 |
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| TLSH | T1A626E058DF33095AE6E8F5B974C64E01BA11C91561B4FCCF24D0A6B9332E8B443B739A |
| 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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| TLSH |
| Key | Value |
|---|---|
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| Key | Value |
|---|---|
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| Key | Value |
|---|---|
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| Key | Value |
|---|---|
| FileName | ./usr/share/doc/gromacs-mpi/README.Debian |
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| Key | Value |
|---|---|
| FileName | ./usr/share/bash-completion/completions/mdrun_mpi_d |
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