AMBER: Scaling of charges in a polarizable simulation !

From: Pradipta Bandyopadhyay <>
Date: Wed, 19 Jan 2005 21:32:37 +0530 (IST)

If I do a MD simulation with polarizable potential where the charges are
coming from the AMBER ff99 force field I think it is recommended to scale
those charges.

My question is what could be the scaling parameter? Is 0.8 a good value?



Dr. Pradipta Bandyopadhyay
Assistant Professor
Dept. of Biotechnology
Indian Institute of Technology, Guwahati
Phone: 91-361-258-2213 (office)

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Received on Wed Jan 19 2005 - 16:53:01 PST
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