Hello,
You can find FapydG parameters for Amber here:
http://onlinelibrary.wiley.com/doi/10.1002/jcc.20625/abstract
Hope this helps,
-Christina
On Wed, May 7, 2014 at 6:30 AM, Norbert GARNIER <
norbert.garnier.cnrs-orleans.fr> wrote:
> Dear AMBER users,
>
> Using AMBER 11, I would like to perform MD simulations on a Fpg/DNA
> complex including a FapydG nucleotide (PDB 1XC8).
> Could you give me some advice on procedures for determining atomic
> partial charges as well as the corresponding force field parameters
> (xx.frcmod)?
> Thank you very much for your help.
> Best regards,
>
> Norbert
>
> --
> Dr. Norbert GARNIER
> Maître de Conférences
> Université d'Orléans, Orléans France
>
> « DNA repair: structural and functional approaches»
> Centre de Biophysique Moléculaire, UPR4301, CNRS
> rue Charles Sadron
> 45 071 Orléans cedex 02
> Tel: +33 (0)2 38 25 76 68
> Web site : http://cbm.cnrs-orleans.fr/
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
---------------------------------------------------------------------------------------
Christina Bergonzo, PhD
Postdoctoral Researcher
Department of Medicinal Chemistry, University of Utah
30 South 2000 East, Rm. 201
Salt Lake City, UT 84112-5820
Office: L.S. Skaggs Pharmacy Research Institute, Rm.4290
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652 / Fax: (801) 585-6208
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Received on Wed May 07 2014 - 07:00:03 PDT
