Le Friday 08 July 2011 à 12:30:42PM, Matteo Tiberti a écrit :
> Dear Amber users,
> I'm trying to parametrize a ligand which coordinates metal atoms. I built
> topology and main parameters with Antechamber, thus obtaining the prep and
> frcmod files.
> My problem is now modifying the parameters to make the model suitable for my
> system. Does a clear guide to the numbers/columns included in the prep and
> frcmod file (i.e. file formats definitions) exist? (I couldn't even find
> their units).
>
> Thank you
Hello, you can have a look at:
http://ambermd.org/formats.html
--
Thomas Gaillard
Maître de conférences
Laboratoire de Biochimie
Ecole Polytechnique
91128 Palaiseau cedex
tel: +33 1 69 33 48 62
fax: +33 1 69 33 49 09
thomas.gaillard.polytechnique.edu
http://bioc.polytechnique.fr/~gaillard
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Received on Fri Jul 08 2011 - 04:30:03 PDT
