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GROMACS
Computer languages C  +
Documentation note User reference manual available in PDF forUser 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 from http://www.gromacs.org/faq/index.php
Full description GROMACS simulates molecular dynamics. It iGROMACS 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.d line options for input and output files.
Homepage URL http://www.gromacs.org  +
Interface command-line  + , x-window-system  +
Is GNU false  +
Keywords simulation  + , polymer  + , molecule  + , molecular  + , dynamics  + , biochemistry  + , proteins  + , lipids  + , bonded  + , nonbonded  +
Last review by Janet Casey +
Last review date 31 October 2007  +
License GPLv2orlater +
License verified by Janet Casey  +
License verified date 12 April 2004  +
Name GROMACS  +
Real name David van der Spoel  + , See for a complete list  +
Related projects Gdpc + , Ghemical + , E-CELL Simulation Environment +
Resource URL mailto:gmx-announce@gromacs.org  + , mailto:gmx-developers@gromacs.org  + , mailto:gmx-users@gromacs.org  +
Resource audience Help  + , Developer  + , Support  +
Resource kind E-mail  +
Revisionid 5,396  +
Revisiontimestamp 12 April 2011 09:41:30  +
Revisionuser User:WikiSysop +
Role Maintainer  + , Contributor  +
Science chemistry  +
Short description Simulates molecular dynamics  +
Submitted by Database conversion +
Submitted date 1 April 2011  +
Use science  +
User level none  +
Version comment 3.2.1 stable released 2004-03-01
Version date 1 March 2004  +
Version download ftp://ftp.gromacs.org/pub/gromacs/gromacs-3.2.1.tar.gz  +
Version identifier 3.2.1  +
Version status stable  +
Has queryThis property is a special property in this wiki. GROMACS + , GROMACS + , GROMACS + , GROMACS + , GROMACS + , GROMACS + , GROMACS + , GROMACS + , GROMACS + , GROMACS +
Modification dateThis property is a special property in this wiki. 4 January 2014 02:00:49  + , 4 January 2014 02:00:49  +
Page has default formThis property is a special property in this wiki. Entry  +
Has subobjectThis property is a special property in this wiki. GROMACS + , GROMACS + , GROMACS + , GROMACS + , GROMACS + , GROMACS +
EmailThis property is a special property in this wiki. spoel@gromacs.org  +
hide properties that link here 
GROMACS + License of
GROMACS + , GROMACS + Person of
E-CELL Simulation Environment + , Gdpc + , Ghemical + Related projects
GROMACS + , GROMACS + , GROMACS + Resource of
 

 

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