GROMACS

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GROMACS

http://www.gromacs.org
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.

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


Download

Download version 5.1.4 (stable)
released on 8 September 2016

Categories

Related Projects




Licensing

LicenseVerified byVerified onNotes
License:GPLv2orlaterJanet Casey12 April 2004



Leaders and contributors

Contact(s)Role
David van der Spoel Maintainer
See for a complete list Contributor


Resources and communication

AudienceResource typeURI
HelpE-mailmailto:gmx-announce@gromacs.org
DeveloperE-mailmailto:gmx-developers@gromacs.org
SupportE-mailmailto:gmx-users@gromacs.org


Software prerequisites

This entry (in part or in whole) was last reviewed on 15 March 2017.



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