From: Peterson J (peterson.jjjj_at_gmail.com)
Date: Fri Nov 01 2013 - 00:28:34 CDT
I am planning to simulate neutral and positively charged forms of a drug
bound with a protein. How do cgenff parameters obtained from Paramchem deal
with charge distribution when it comes to positively charged molecule?
This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:21:50 CST