Subject: ligantion parameters in charmm

From: wei <[email-masked]>
Date: Tue, 29 Oct 2002 10:46:28 +0000

Hi, all:

    I want to use CHARMM to simulate a protein-pigment aggregate, in this 
aggregate the MG 2+ of the pigment is liganded to a His residue of the 
protein, How can I represent this in my .rtf and .prm file? I couldn't find 
any parameters about MG-N binding in charmm.

   Thanks for the help.

wei zhuang