[gmx-users] ligand topology & charge calculations

Chetan Puri chetanpuris at gmail.com
Tue Nov 17 14:39:49 CET 2015

Can somebody suggest what could be the best possible way for generating
small molecules topology file and charge determination ( OPLS force field)
as I want carry out a simulation for miscell formation between small

More information about the gromacs.org_gmx-users mailing list