Re: [AMBER] ATP and GTP parameters

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Thu, 3 Sep 2009 07:15:54 +0100

Eduardo,

> I was wondering if anyone can supply parameters for the phosphates XYP
> with X={A,G}, Y={T,D,M} other than those
> found in http://www.pharmacy.manchester.ac.uk/bryce/amber
> I heard somebody has the parameters compatible with ff03, would you
> care to share those?

ok no problem.

Do you need dexoxyribose or ribose ?
Which protonation state for each terminal phosphate ? -2 or -1 ?

regards, Francois



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Received on Wed Sep 02 2009 - 23:30:08 PDT
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