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gromacs

Molecular dynamics simulator, with building and analysis tools

Variants:
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.

GROMACS offers entirely too many features for a brief description to do it justice. A more complete listing is available at <http://www.gromacs.org/content/view/12/176/>.

Homepage:
Package version:4.5.5-2
Architecture:armhf
Distribution:Debian
Filename:gromacs_4.5.5-2_armhf.deb

/usr/share/doc/gromacs/README

               Welcome to the Debian version of GROMACS!

If you are familiar with unix, it should be fairly trivial to compile and
install GROMACS. Installation instructions are available in the INSTALL.* 
files (there is one for automake users, INSTALL.automake and one for cmake
users, INSTALL.cmake). A more extended step-by-step guide can be found 
on our website http://www.gromacs.org .

Of c
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/usr/share/doc/gromacs/README.Debian

GROMACS for Debian
------------------

The basic 'gromacs' package contains only single-threaded binaries.  For
multiple threads or machines, you will need the MPI-enabled version of mdrun.
Depending on your MPI implementation of choice, install either the
'gromacs-openmpi' or 'gromacs-mpich'.

If you are setting up an MPI installation for the first time and have no
existing preference, then 'grom
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/usr/share/doc/gromacs/changelog.Debian.gz

gromacs (4.5.5-2) unstable; urgency=low

  [ Andreas Tille ]
  * debian/upstream:
     - copied citations from tasks/bio to debian/upstream
     - make last citation conform to BibTeX syntax

  [ Nicholas Breen ]
  * Update to current release-4.5-patches git (f361fa9c) via addition of
    patches/10_release-4.5-patches.patch.
  * source/format: Move to 3.0 (quilt).  Adjust patches accordingly.
  *
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/usr/share/doc/gromacs/AUTHORS

Current developers:

David van der Spoel <spoel@gromacs.org>
Berk Hess <hess@gromacs.org>
Erik Linda
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/usr/share/doc/gromacs/copyright

This Debian-packaged version of GROMACS was assembled by Nicholas Breen
<nbreen@ofb.net> from the or
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