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[ Quellcode: gromacs  ]

Paket: gromacs (2022.5-2)

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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.

Markierungen: Feld: Biologie, Strukturelle Biologie, field::chemistry, implemented-in::c, Benutzer-Schnittstellen: Kommandozeile, interface::graphical, interface::x11, Rolle: Programm, GUI-Baukasten: X-Bibliothek, X-Window-System: Anwendung

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amd64 137,2 kB727,0 kB [Liste der Dateien]
arm64 130,8 kB857,0 kB [Liste der Dateien]
mips64el 137,1 kB885,0 kB [Liste der Dateien]
ppc64el 142,7 kB857,0 kB [Liste der Dateien]
s390x 121,9 kB697,0 kB [Liste der Dateien]