Quoting Yves Boulard <yves.boulard.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.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Dec 09 2007 - 06:07:09 PST
