Gromacs  2025-dev-20240412-700e594
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GROMACS

GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds, to millions of particles. See www.gromacs.org for more information.

This documentation generated by Doxygen is (mostly) extracted from the source code, and provides documentation for understanding the source code. The documentation can be generated with different levels of details. This documentation has been generated to include all documentation, including internal functions and classes used for internal implementation purposes.

The main audience for this level of detail are people who want to understand detailed implementation of some area, or try to find some specific function within the library. If you are overwhelmed by the amount of details, the library API documentation skips functions not meant to be used outside a single module.

Currently, only parts of the code are documented here. The following pages give an overview of some of the topics that are documented:

This list will hopefully expand over time.