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gromacs

Fast, Free and Flexible Molecular Dynamics

GROMACS is a versatile and extremely well optimized package to perform molecular dynamics computer simulations and subsequent trajectory analysis. It is developed for biomolecules like proteins, but the extremely high performance means it is used also in several other field like polymer chemistry and solid state physics.

This package provides single and double precision binaries. The documentation is in the package gromacs-common.

mdrun has been compiled with thread parallellization, so it runs in parallel on shared memory systems. If you want to run on a cluster, you probably want to install one of the MPI parallellized packages.

N.B. All binaries have names starting with g_, for example mdrun has been renamed to g_mdrun.

Homepage:
Package version:4.5.5
Architecture:src
Distribution:Fedora
Filename:gromacs-4.5.5-2.fc17.src.rpm

Browse inside gromacs-4.5.5-2.fc17.src.rpm

9.92 MB2014-11-28gromacs-4.5.5.tar.gz  view  14 mirrors
11.63 KB2014-11-28gromacs-gmxdemo.patch  view  4 mirrors
1.55 KB2014-11-28gromacs-GMXRC.patch  view  4 mirrors
951 B2014-11-28gromacs-README.fedora  view  4 mirrors
24.79 KB2014-11-28gromacs.spec  view
480 B2014-11-28gromacs-template-makefile-double  view  4 mirrors
490 B2014-11-28gromacs-template-makefile-mpi-double  view  4 mirrors
486 B2014-11-28gromacs-template-makefile-mpi-single  view  4 mirrors
476 B2014-11-28gromacs-template-makefile-single  view  4 mirrors
1.29 KB2014-11-28HEADER  view  42 mirrors
2.35 MB2014-11-28manual-4.5.4.pdf  view  8 mirrors

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