Re: [AMBER] Atomic Polarizability

From: David A Case <>
Date: Tue, 7 Jul 2020 13:58:39 -0400

On Tue, Jul 07, 2020, Thakur, Abhishek wrote:
>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?

If you used gaff or gaff2 to construct your force field,
polarizabilities are in the $AMBERHOME/dat/leap/parm/gaff2.dat. Note
that these values are not used by GAFF, and may not be all that


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Received on Tue Jul 07 2020 - 11:00:06 PDT
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