Partial charges on amino acids

From: Purushottam Dixit (dixitpd_at_gmail.com)
Date: Fri Jun 08 2007 - 16:02:18 CDT

Hi,

I want to change the ionization state of some of the charged amino
acids in my protein. Is there any non-ab initio working method to
assign new partial charges to various groups in such a case? Also, is
such a topology file already available for all charged amino acids?

Regards
Purushottam

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:46:27 CST