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GROMACS - Simulates molecular dynamics

GROMACS simulates molecular dynamics. It is primarily designed for biochemical molecules like proteins and lipids that have many complicated bonded interactions, but since it is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) it is also used for research on non-biological systems, e.g. polymers.

GROMACS is user-friendly, with topologies, parameter files, and error messages written in clear text format. There is a lot of consistency checking, but no scripting language: all programs use a simple interface with command line options for input and output files.

Obtaining

Web pagehttp://www.gromacs.org
Source tarballftp://ftp.gromacs.org/pub/gromacs/gromacs-3.2.1.tar.gz
Version 3.2.1 (stable) released on 2004-03-01
Licensed under The GNU General Public License, Version 2 or later.
This is not a GNU package.

Documentation

User reference manual available in PDF format from ftp://ftp.gromacs.org/pub/manual/3.2/manual-3.2.pdf; User guide available in HTML format from http://www.gromacs.org/documentation/reference_3.2/online.html; User FAQ available in HTML format from http://www.gromacs.org/faq/index.php
Support contacts

Announce List<gmx-announce@gromacs.org> http://www.gromacs.org/mailing_lists/announce.php
Help List<gmx-users@gromacs.org> http://www.gromacs.org/mailing_lists/users.php
Developer List<gmx-developers@gromacs.org> http://www.gromacs.org/mailing_lists/developers.php

Project contacts

Maintainers
Developers
Contributors
Sponsors
  • University of Groningen, The Netherlands

Related information

Interfacescommand line, X Window System
Source languagesC
Related programsgdpc, E-CELL Simulation Environment, Ghemical

Entry information

License verified byJanet Casey <jcasey@gnu.org> on 2004-04-12
Entry compiled byJanet Casey <jcasey@gnu.org>

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