Subject: Fe(III) parameters

From: Yasuo Takeuchi <[email-masked]>
Date: Thu, 1 Aug 1996 17:15:24 -0500 (CDT)

Dear CCL'ers:

I would like to calculate the compound which have Fe(III) by MM3 or
AMBER.  Does anybody know Fe(III) parameters or literatures?  The
compound is;

        O----------
        |         Ar
 ---O----------O---
Ar  |  Fe(III) |
 ---O----------O---
        |         Ar
        O----------

Any suggestions are welcomed.  Thanks in advance.

Yasuo
----------------------------------------------------------------
Yasuo Takeuchi, Ph.D.
Institute for Biomedical Computing      [email-masked]
Washington University, Box 8036         FAX   314-362-0234
700 South Euclid Avenue                 PHONE 314-362-2273
St. Louis, MO 63110-1012
U.S.A.