Parameters for Heme group

From: Weifan Zheng <weifan (- at -) gibbs.oit.unc.edu>
Subject: Parameters for Heme group
Date: Thu, 24 Nov 1994 14:46:54 -0500 (EST)

 Dear netters,
 o I am modeling cytochrome P450 enzymes. I wonder if anybody knows:
    (1) any parameters ( Molecular Mechanics force field parameters ) for HEME
        group;
    (2) what is the suitable way to calculate atomic charges of the
        atoms of HEME group including Fe.
 o Does anybody know the email address for the following people ?
    Dr. D. A. Giammona, Dr. D.A. Case, Dr. M. A. Lopez
    Dr. Rick L. Ornstein
 Any information may help.
 Thank you!
 Weifan
 Lab for Molecular Modeling
 School of Pharmacy
 UNC-Chapel Hill
 NC 27599-7360