AMBER Archive (2007)

Subject: Re: AMBER: THF parameters

From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Wed Dec 05 2007 - 08:32:27 CST

Quoting Yves Boulard <yves.boulard_at_cea.fr>:

> 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.
http://q4md-forcefieldtools.org/REDDB
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...
http://q4md-forcefieldtools.org/REDDB/uploadfile/W-38/

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

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu