GROMACS
This entry published by the Free Software Foundation.
GROMACS
http://www.gromacs.org
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.
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
Related Projects
Licensing
| License | Verified by | Verified on | Notes |
|---|---|---|---|
| GPLv2orlater | Janet Casey | 2453107.512 April 2004 |
Leaders and contributors
| Contact(s) | Role |
|---|---|
 David van der Spoel | Maintainer |
| See for a complete list | Contributor |
Resources and communication
| Audience | Resource type | URI |
|---|---|---|
| Help | mailto:gmx-announce@gromacs.org | |
| Developer | mailto:gmx-developers@gromacs.org | |
| Support | mailto:gmx-users@gromacs.org |
Software prerequisites
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This entry (in part or in whole) was last reviewed on 31 October 2007.
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This page was last modified on 12 April 2011, at 14:41.