[ Bron: gromacs ]
Pakket: gromacs (2024.2-1)
Verwijzigingen voor gromacs
Debian bronnen:
Het bronpakket gromacs downloaden:
- [gromacs_2024.2-1.dsc]
- [gromacs_2024.2.orig-regressiontests.tar.gz]
- [gromacs_2024.2.orig.tar.gz]
- [gromacs_2024.2-1.debian.tar.xz]
Beheerders:
Externe bronnen:
- Homepage [www.gromacs.org]
Vergelijkbare pakketten:
Molecular dynamics simulator, with building and analysis tools
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 variants both for execution on a single machine, and using the MPI interface across multiple machines.
Andere aan gromacs gerelateerde pakketten
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- dep: gromacs-data (= 2024.2-1)
- GROMACS molecular dynamics sim, data and documentation
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- dep: libc6 (>= 2.34)
- GNU C Bibliotheek: Gedeelde bibliotheken
Ook een virtueel pakket geboden door: libc6-udeb
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- dep: libgcc-s1 (>= 3.0)
- GCC support bibliotheek
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- dep: libgromacs9 (>= 2024.2)
- GROMACS molecular dynamics sim, shared libraries
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- dep: libopenmpi3t64 (>= 4.1.6)
- high performance message passing library -- shared library
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- dep: libstdc++6 (>= 11)
- GNU Standard C++ Library v3
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- rec: cpp
- GNU C preprocessor (cpp)
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- rec: mpi-default-bin
- Standard MPI runtime programs (metapackage)
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- sug: pymol
- Molecular Graphics System