charmm2gmx: An Automated Method to Port the CHARMM Additive Force Field to GROMACS

AndrĂ¡s F. Wacha, Justin A. Lemkul. charmm2gmx: An Automated Method to Port the CHARMM Additive Force Field to GROMACS. Journal of Chemical Information and Computer Sciences, 63(14):4246-4252, July 2023. [doi]

Abstract

Abstract is missing.