factorpol.parameterization

This module is for parameterizing small molecules with typed polarizabilities, AM1-BCC-dPol partial charges, and bonded parameters from Open Force Field Sage Force Field or AMBER GAFF

Functions

add_force(parent, Name, TypeName, c0, alpha)	Create a MPID Force for OpenMM to compute electrostatics.
parameterize_molecule(smile, ff_name, ...)	Parameterize a molecule with OpenFF sage or gaff force field