Subject: Mg2+ parameters in cvff or cff9x

From: Emadeddin Tajkhorshid <[email-masked]>
Date: Tue, 11 May 1999 14:51:55 -0700

Dear all,

I have performed a series of MD simulations using cvff and cff91 force
fields of MSI. Now, I would like to add a positively charged Mg atom to
my protein and optimize the system. However, I get into trouble with
finding the right parameters for the Mg2+. I wonder if the parameters
needed for the metal ion are present in the new versions of the force
fields or I have to think about adding them manually (right now, I do
not know how) to the force field.

Thanx in advance
-- 
Emad
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E. Tajkhorshid, Ph.D. 
German Cancer Research Center; DKFZ             Tel: +49 6221 42 2340
Dept. Molecular Biophysics (H0200)              FAX: +49 6221 42 2333
P.O.Box 101949            http://genome.dkfz-heidelberg.de/users/emad
69009 Heidelberg, Germany     Email: [email-masked]
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