Re: AMBER: Scaling of charges in a polarizable simulation !

From: David A. Case <>
Date: Wed, 19 Jan 2005 12:11:08 -0800

On Wed, Jan 19, 2005, Pradipta Bandyopadhyay wrote:

> 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.

A better recommendation is to use a charge set like those in ff02 or ff02EP,
which have been designed for use with polariable potentials.


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Received on Wed Jan 19 2005 - 20:52:59 PST
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