GROMACS

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GROMACS

https://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, Mertgor

Verified on

5 January 2024




Leaders and contributors

Contact(s)Role
See for a complete list Contributor
Berk Hess Project Leader
Erik Lindahl Project Leader


Resources and communication

AudienceResource typeURI
GitLab IssuesBug Trackinghttps://gitlab.com/gromacs/gromacs/-/issues
HelpForumhttp://forums.gromacs.org


Software prerequisites




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