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[ Bron: gromacs ]
Pakket: gromacs-openmpi (2020.1-1)
Verwijzigingen voor gromacs-openmpi
Trisquel bronnen:
Het bronpakket gromacs downloaden:
Beheerder:
Original Maintainers:
- Debichem Team (Mailarchief)
- Nicholas Breen
Externe bronnen:
- Homepage [www.gromacs.org]
Vergelijkbare pakketten:
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.
Andere aan gromacs-openmpi gerelateerde pakketten
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- dep: libc6 (>= 2.29)
- GNU C Library: Shared libraries
Ook een virtueel pakket geboden door: libc6-udeb
-
- dep: libfftw3-double3 (>= 3.3.5)
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-
- dep: libfftw3-single3 (>= 3.3.5)
- Library for computing Fast Fourier Transforms - Single precision
-
- dep: libgcc-s1 (>= 3.0) [amd64]
- GCC support library
- dep: libgcc-s1 (>= 3.5) [armhf]
-
- dep: libgomp1 (>= 4.9)
- GCC OpenMP (GOMP) support library
-
- dep: libhwloc15 (>= 2.1.0+dfsg)
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-
- dep: libopenmpi3 (>= 4.0.3)
- high performance message passing library -- shared library
-
- dep: libstdc++6 (>= 5.2) [amd64]
- GNU Standard C++ Library v3
- dep: libstdc++6 (>= 6) [armhf]
-
- dep: neon-support [armhf]
- prevent installation on processors without required instructions
-
- dep: openmpi-bin (>= 1.2.3)
- high performance message passing library -- binaries
-
- dep: zlib1g (>= 1:1.2.0)
- compression library - runtime
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- rec: gromacs
- Molecular dynamics simulator, with building and analysis tools
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- sug: gromacs-data
- GROMACS molecular dynamics sim, data and documentation