Partial charges on amino acids

From: Purushottam Dixit (
Date: Fri Jun 08 2007 - 16:02:18 CDT


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?


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