Paketname | gromacs-openmpi |
Beschreibung | Molecular dynamics sim, binaries for OpenMPI parallelization |
Archiv/Repository | Offizielles Ubuntu Archiv lucid (universe) |
Version | 4.0.7-1 |
Sektion | universe/science |
Priorität | extra |
Installierte Größe | 6708 Byte |
Hängt ab von | libc6 (>= 2.7), libfftw3-3, libopenmpi1.3, openmpi-bin (>= 1.2.3) |
Empfohlene Pakete | gromacs |
Paketbetreuer | Ubuntu Developers |
Quelle | gromacs |
Paketgröße | 1965130 Byte |
Prüfsumme MD5 | 5aae34853398fb52156022348f479457 |
Prüfsumme SHA1 | ed93a936e91e83b274a61289f878efc63c8e10f5 |
Prüfsumme SHA256 | 58e55d6368009b1a38c024e8c67e2957fe7fbc656c6d297b9a5be950f2d9db18 |
Link zum Herunterladen | gromacs-openmpi_4.0.7-1_i386.deb |
Ausführliche Beschreibung | 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.
|