Subject: Zn potentials in biomolecular modeling....

From: [email-masked] (Rachelle J. Bienstock)
Date: Tue, 15 Nov 94 09:37:33 -0500

HI-

I would like to know what people have been using for Zn potentials in
modeling Zn containing proteins.  I have noticed that none of the Biosym
forcefields nor AMBER contains potentials for Zn.  If people develop
their own potentials for these purposes, I would appreciate knowing
how they then place them in the AMBER or any of the BIOSYM forcefields
to use for molecular dynamics.  

Also, if someone knows whether any other forcefields which are suited
for proteins contain potentials for Zn, I would appreciate knowing...
i.e. such as Molecular Simulations, MacroModel or GROMOS...

Thanks,

Rachelle

                                #####
                                (o  o)
 +------------------------oooO---(__)---Oooo----------------------------+
 | 									|
 | Dr. Rachelle Bienstock	INTERNET :[email-masked]	|
 | National Institute of						|
 | Environmental Health Sciences					|
 | P.O. Box 12233 Mail Drop 10-03	Telephone : 919-541-3397	|
 | Research Triangle Park, NC 27709	Fax : 919-541-1578		|
 +----------------------------------------------------------------------+
                               ||    ||
                              (__)  (__)