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).
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).