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This entry published by the Free Software Foundation.
| GROMACS |
| Computer languages | C + |
|---|---|
| Documentation note | User reference manual available in PDF for … 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 from http://www.gromacs.org/faq/index.php |
| Full description | GROMACS simulates molecular dynamics. It i … 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. 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 14:41:30 + |
| Revisionuser | 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 + |
| Modification dateThis property is a special property in this wiki. | 25 May 2012 01:38:18 + |
| Page has default formThis property is a special property in this wiki. | Entry + |
| EmailThis property is a special property in this wiki. | spoel@gromacs.org + |
| hide properties that link here |
| GROMACS#6 + | License of |
|---|---|
| GROMACS#1 + , GROMACS#2 + | Person of |
| E-CELL Simulation Environment + , Gdpc + , Ghemical + | Related projects |
| GROMACS#3 + , GROMACS#4 + , GROMACS#5 + | Resource of |
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