Package: gromacs-mpi (2021.4-2)
Links for gromacs-mpi
Trisquel Resources:
Download Source Package gromacs:
- [gromacs_2021.4-2.dsc]
- [gromacs_2021.4.orig-regressiontests.tar.gz]
- [gromacs_2021.4.orig.tar.gz]
- [gromacs_2021.4-2.debian.tar.xz]
Maintainer:
Original Maintainers:
- Debichem Team (Mail Archive)
- Nicholas Breen
External Resources:
- Homepage [www.gromacs.org]
Similar packages:
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.
Other Packages Related to gromacs-mpi
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- dep: libc6 (>= 2.34)
- GNU C Library: Shared libraries
also a virtual package provided by libc6-udeb
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- dep: libfftw3-double3 (>= 3.3.5)
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- dep: libfftw3-single3 (>= 3.3.5)
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-
- dep: libopenmpi3 (>= 4.1.0)
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Download gromacs-mpi
Architecture | Package Size | Installed Size | Files |
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armhf | 3,813.4 kB | 9007 kB | [list of files] |