FFParam is a Standalone python package for CHARMM force field parametrization including both the additive CGenFF/CHARMM36 and Classical Drude polarizable force fields. To assist in the parametrization process, the program is provided with a graphical user interface (GUI) and it is cross-platform. FFParam shields the user from labor-intensive manual work and shifts the focus towards the improvement and the quality of parameters.
Users who are new to parametrization are advised to consult both FFParam manual & article as well as CGenFF articles.
- FFParam: Standalone Package for CHARMM Additive and Drude Polarizable Force Field Parametrization of Small Molecules. Journal of Computational Chemistry (2019) https://doi.org/10.1002/jcc.26138
- FFParam Tutorials
- CGenFF Tutorials
- CGenFF Program