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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.



Verified by

Verified on


Verified by

Janet Casey

Verified on

12 April 2004

Leaders and contributors

David van der Spoel Maintainer
See for a complete list Contributor

Resources and communication

AudienceResource typeURI

Software prerequisites


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