AMBER Archive (2005)

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

From: David A. Case (case_at_scripps.edu)
Date: Wed Jan 19 2005 - 14:11:08 CST

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.

...dac

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