AMBER Archive (2005)

Subject: AMBER: scaleCharges with polarisable force fields

From: Phineus Markwick (markwick_at_embl-heidelberg.de)
Date: Fri Apr 01 2005 - 06:57:43 CST

Dear AMBERers,

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, and if not, what charge scaling factors are recommended for the
solute
and solvent?

many thanks in advance,
Phineus.

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