Hi
I looked at
http://q4md-forcefieldtools.org/REDDB/projects/F-90/ but it was not really clear to me what are parameters for ATP.
Best
valentina
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Valentina Romano | PhD Student | Biozentrum, University of Basel & SIB Swiss Institute of Bioinformatics
Klingelbergstrasse 61 | CH-4056 Basel |
Phone: +41 61 267 15 80
________________________________________
From: FyD [fyd.q4md-forcefieldtools.org]
Sent: Tuesday, July 08, 2014 5:20 PM
To: AMBER Mailing List
Subject: Re: [AMBER] ATP and Mg2+ parameters
Dear Valentina,
> I would like to run a MD for a protein kinase in complex with ATP
> and a Mg2+ ion.
>
> Do you know if parameters for ATP and Mg2+ already exist?
> Or should I use antechamber?
ATP, ADP, AMP are in R.E.DD.B.
see
http://q4md-forcefieldtools.org/REDDB/projects/F-90/
regards, Francois
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Received on Tue Jul 15 2014 - 04:00:02 PDT
