Re: AMBER: THF parameters

From: FyD <>
Date: Wed, 05 Dec 2007 15:32:27 +0100

Quoting Yves Boulard <>:

> I am planning to do some MD simulations with modified nucleic acids
> and in particular abasic sites.
> I have would like to know if anyone could tell me where i can find HTF
> (tetrahydrofuran) force field parameters?

You have many examples of solvents in R.E.DD.B.
W-39 Pyrrole
W-38 Furane
W-37 Methanal
W-36 Formamide
W-35 Acetonitrile
W-34 Ethanoic acid
W-33 Propanone
W-32 Methanol

You might use the Furane case as an example...

We also have a beta version of the R.E.D.server which interfaces
R.E.D-IV. I can generate the parameters for you. This will allow me to
test our server. This should take less than 10 minutes...

regards, Francois

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Received on Sun Dec 09 2007 - 06:07:09 PST
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