Provide MD functions, using the OpenMM projects GPU code.
The purpose of this project is to manage MD code that parses input files for existing MD codes such as AMBER/Sander.
It uses the OpenMM python wrappers (PyOpenMM).
SimTK is maintained through Grant R01GM124443 01A1 from the National Institutes of Health (NIH). It was initially developed as part of the Simbios project funded by the NIH as part of the NIH Roadmap for Medical Research, Grant U54 GM072970.