Dear Amber Users and Devs,
I have a novel sample of molecular crystal. Can I still parameterize the force field like the way we used on lipid? E.g. find the resp charge using Gaussian, and using antechamber and tleap. Should I load the molecular crystal in Gaussian as free molecule or confine it with PBC, will the conventional way of charge fitting methond will work on periodic system?
Regards
Min
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Sep 06 2011 - 21:30:02 PDT
