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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.


User reference manual available in PDF format from; User guide available in HTML format from; User FAQ available in HTML format from


Download version 3.2.1 (stable)
released on 1 March 2004


Related Projects


LicenseVerified byVerified onNotes
GPLv2orlaterJanet Casey12 April 2004

Leaders and contributors

David van der Spoel Maintainer
See for a complete list Contributor

Resources and communication

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Software prerequisites

This entry (in part or in whole) was last reviewed on 31 October 2007.


Permission is granted to copy, distribute and/or modify this document under the terms of the GNU Free Documentation License, Version 1.3 or any later version published by the Free Software Foundation; with no Invariant Sections, no Front-Cover Texts, and no Back-Cover Texts. A copy of the license is included in the page “GNU Free Documentation License”.

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