Hello, I’m wondering how to add polarization to a lammps input generated using Moltemplate. Essentially, is there a suggested way of using Moltemplate and polarizer.py together?
I’m using the GAFF.lt force field for a multicomponent system. Since the polarizer.py tool acts on an input file with a potential coeffs list, is the best course of action to have moltemplate write one input file with all the positions, potentials, bonds, etc… and have polarizer.py use that as the input. Or would it be better to include polarization in the force field file and have Moltemplate assemble the system?
Thanks,
Rafal Dziedzic