Re: [AMBER] ATP and Mg2+ parameters

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From: FyD <fyd.q4md-forcefieldtools.org>
Date: Tue, 08 Jul 2014 17:20:01 +0200

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 08 2014 - 08:30:04 PDT