AMBER Archive (2006)

Subject: AMBER: Ca2+ polarizability

From: Martin LEPSIK (martin.lepsik_at_ibs.fr)
Date: Thu Sep 07 2006 - 04:02:38 CDT

> Dear AMBER team,
> I would like to run a molecular dynamics simulation using ff02 and
> ff02EP polarizable force fields
> on a Ca2+-binding peptide.
>
> Are there any parameters for atomic polarizability of Ca2+? Or a
> consistent way (e.g. with Mg2+) how to derive them? I could not find
> much details in [Cieplak 01 J Comput Chem].
>
> Looking forward to hearing from you.
>
> Yours sincerely,
>
> Martin Lepsik
>
> --
> --------------------------
> Martin Lepsik, Ph.D.
> Laboratoire de Dynamique Moléculaire (LDM)
> Institut de Biologie Structurale
> 41, rue Jules Horowitz
> 38027 Grenoble Cedex 1, France
> tel: +33-4-3878-4780
> e-mail: martin.lepsik_at_ibs.fr
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