copper parameters



 I am trying to work on the refinement/vibrational spectral prediciton
 of a copper based protein, Azurin.
 Said protein can exists in both reduced and oxidized states, and then the
 modelling can became difficult.
 I will try several approaches, but have founf that there seems to be a lack of
 proper parameters to start with.
 This is where my questions  come:
 1. Are there parameters for copper in Mopac ? Walter Thiel has a paper out
 with parameters for second row elements, and for the Zinc Group
 (JPC, 100:616-626 (1996)), but that is as close as I got.
 2. Are there MM parameters for copper in either Amber or Discover ?
 I thank you all for your help.
 regards
 --
                             Adrian E. Roitberg
 ========================================================================
 National Institute for Standards | Phone: (301) 975-4469
 and Technology                   | Fax  : (301) 330-3447
 Biotechnology Division           | E-mail : adrian at.at nist.gov
 Building 222, A-353              | URL : http://www.chem.nwu.edu/~adrian
 Gaithersburg, MD 20899           |
 ========================================================================