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GROMACS
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.
Last updated 31 Oct, 2007
About
Leadership
- David van der Spoel - Maintainer
- See for a complete list - Contributor
Related Projects
Versions
3.2.1
3.2.1 stable released 2004-03-01
- Released: 1 Mar, 2004
- Code Maturity: Stable
- Source Archive: ftp://ftp.gromacs.org/pub/gromacs/gromacs-3.2.1.tar.gz
- Licenses: GPLv2orlater
- Interfaces: Command Line, X Window System
User Community and Support
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