Re: AMBER: dielectric constant

From: David LeBard <>
Date: Tue, 28 Jun 2005 13:01:30 -0700

Hi Germán,

Other users please correct me if I am wrong, but I don't think this
calculation is standard in Amber so you will probably have to write your
own code for it.

Two good papers to help on this track are the following:

1) M. Neumann, Mol. Phys., Vol. 57, 1986, 97-121.
2) T. Fonseca & B. M. Ladanyi, J. Chem. Phys., Vol. 93, 1990, 8148-8155.


David LeBard
Dept of Chemistry and Biochemistry
Arizona State University

On Wed, 2005-06-29 at 04:02, Germán Sciaini wrote:
> Hi amber users,
> I would like to know if anyone knows if it is possible to calculate
> dielectric constant for a given solvent box using amber8.
> Thanks in advance...
> G.

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Received on Tue Jun 28 2005 - 21:53:00 PDT
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