About: GROMACS performs molecular dynamics, i.e. simulates the Newtonian equations of motion for systems with hundreds to millions of particles (designed for biochemical molecules but used also for e.g. polymers).
Fossies Dox: gromacs-2016.1.tar.gz ("inofficial" and yet experimental doxygen-generated source code documentation)
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 documentation of functions exposed through installed headers and intended as part of a public API. Note that definition of the public API is very preliminary, and subject to change.
The main audience for this level of detail are users of who are interested in writing their own analysis tools that use as a library, as well as other developers who want to link against . To understand the inner workings of , or if you want to contribute to , see the more detailed library API documentation or full documentation.
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.