Re: [AMBER] Atomic Polarizability

From: Dr. Anselm Horn <>
Date: Tue, 7 Jul 2020 23:24:55 +0200

Hi Abishek,

> I have a ligand bound to my system and would like to check the atomic polarizability of each atom for my ligand. Can anyone suggest to me where I can find it?
I'm not sure whether I understand you correctly, since polarizability is
either a fixed parameter in the Amber-ff02 world (as far as I know, the
Applequist parameters are used there - for the amoeba forcefield, the
situation might be different) or an atom-specific property you may
obtain via quantum mechanics calculations.
Thus, the answer depends on what you are interested in ...



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Received on Tue Jul 07 2020 - 14:30:03 PDT
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