Re: Adding ligand parameters for AMOEBA
Posted: Fri Aug 19, 2016 3:42 pm
Hi Dr. Eastman,
Is there an automated code/script available somewhere, which can convert a TINKER prm file directly into an OpenMM compatible xml file, for any new parameters developed for AMOEBA?
Thanks!
Is there an automated code/script available somewhere, which can convert a TINKER prm file directly into an OpenMM compatible xml file, for any new parameters developed for AMOEBA?
Thanks!