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.
DocumentationUser 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
released on 1 March 2004
|License||Verified by||Verified on||Notes|
|GPLv2orlater||Janet Casey||12 April 2004|
Leaders and contributors
|See for a complete list||Contributor|
|David van der Spoel||Maintainer|
Resources and communication
This entry (in part or in whole) was last reviewed on 31 October 2007.