AMBER Archive (2005)

Subject: Re: AMBER: scaleCharges with polarisable force fields

From: David A. Case (case_at_scripps.edu)
Date: Fri Apr 01 2005 - 10:31:22 CST


On Fri, Apr 01, 2005, Phineus Markwick wrote:
>
> I am setting up a MD simulation using the ff02EP force-field for the solute
> and the POL3 force-field for the solvent. Having read the manual for AMBER7,
> I believe that the charges in these force-fields are already assigned
> correctly, and do not have to be scaled using 'scaleCharges' in tleap. Am I
> correct in this belief...

Yes....dac

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