Re: [AMBER] UTP and CTP amber force field parameters

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Wed, 28 Nov 2012 06:45:55 +0100

Dear Duan,

> I want to calculate the binding free energy between RNA
> polymerase and NTPs. From the website
> http://www.pharmacy.manchester.ac.uk/bryce/amber/, ATP and GTP force
> field parameters can be obtained. where could I obtain the similar
> parameters of UTP and CTP like ATP and GTP parameters provided by
> Carlson et al. in the above website? Thank you !

See R.E.DD.B.
http://q4md-forcefieldtools.org/REDDB/projects/F-90/
http://q4md-forcefieldtools.org/REDDB/projects/F-91/
See commands in the script1.ff; this was discussed several times in
the Amber mailing list...

regards, Francois



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Received on Tue Nov 27 2012 - 22:00:02 PST