Difference between revisions of "GROMACS"

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(Created page with "{{Entry |Name=GROMACS |Short description=Simulates molecular dynamics |Full description=GROMACS simulates molecular dynamics. It is primarily designed for biochemical molecules l...")
 
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|Short description=Simulates molecular dynamics
 
|Short description=Simulates molecular dynamics
 
|Full description=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.
 
|Full description=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.
 +
|Homepage URL=http://www.gromacs.org
 
|User level=none
 
|User level=none
|Status=Live
 
|Component programs=
 
|Homepage URL=http://www.gromacs.org
 
|VCS checkout command=
 
 
|Computer languages=C
 
|Computer languages=C
 
|Documentation note=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
 
|Documentation note=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
|Paid support=
 
|IRC help=
 
|IRC general=
 
|IRC development=
 
 
|Related projects=gdpc,Ghemical,E-CELL_Simulation_Environment
 
|Related projects=gdpc,Ghemical,E-CELL_Simulation_Environment
 
|Keywords=simulation,polymer,molecule,molecular,dynamics,biochemistry,proteins,lipids,bonded,nonbonded
 
|Keywords=simulation,polymer,molecule,molecular,dynamics,biochemistry,proteins,lipids,bonded,nonbonded
|Is GNU=n
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|Version identifier=5.1.4
|Last review by=Janet Casey
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|Version date=2016/09/08
|Last review date=2007-10-31
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|Version status=stable
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|Version download=ftp://ftp.gromacs.org/pub/gromacs/gromacs-5.1.4.tar.gz
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|Last review by=Alejandroindependiente
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|Last review date=2017/03/15
 
|Submitted by=Database conversion
 
|Submitted by=Database conversion
 
|Submitted date=2011-04-01
 
|Submitted date=2011-04-01
|Version identifier=3.2.1
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|Status=
|Version date=2004-03-01
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|Is GNU=No
|Version status=stable
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|License verified date=2004-04-12
|Version download=ftp://ftp.gromacs.org/pub/gromacs/gromacs-3.2.1.tar.gz
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}}
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{{Project license
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|License=GPLv2orlater
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|License verified by=Janet Casey
 
|License verified date=2004-04-12
 
|License verified date=2004-04-12
|Version comment=3.2.1 stable released 2004-03-01
 
 
}}
 
}}
 
{{Person
 
{{Person
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|Real name=David van der Spoel
 
|Role=Maintainer
 
|Role=Maintainer
|Real name=David van der Spoel
 
 
|Email=spoel@gromacs.org
 
|Email=spoel@gromacs.org
 
|Resource URL=
 
|Resource URL=
 
}}
 
}}
 
{{Person
 
{{Person
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|Real name=See for a complete list
 
|Role=Contributor
 
|Role=Contributor
|Real name=See for a complete list
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|Resource URL=
|Email=
 
|Resource URL=http://phpgroupware.org/contributors
 
 
}}
 
}}
 
{{Resource
 
{{Resource
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}}
 
}}
 
{{Software category
 
{{Software category
|Interface=command-line,x-window-system
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|Interface=command-line, x-window-system
 
|Science=chemistry
 
|Science=chemistry
 
|Use=science
 
|Use=science
 
}}
 
}}
{{Project license
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{{Featured}}
|License=GPLv2orlater
 
|License verified by=Janet Casey
 
|License verified date=2004-04-12
 
}}
 

Latest revision as of 18:49, 15 March 2017


[edit]

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.





Licensing

License

Verified by

Verified on

Notes

Verified by

Janet Casey

Verified on

12 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
SupportE-mailmailto:gmx-users@gromacs.org
DeveloperE-mailmailto:gmx-developers@gromacs.org


Software prerequisites




Entry

























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”.

The copyright and license notices on this page only apply to the text on this page. Any software or copyright-licenses or other similar notices described in this text has its own copyright notice and license, which can usually be found in the distribution or license text itself.