AMBER Archive (2007)

Subject: Re: AMBER: THF parameters

From: David A. Case (case_at_scripps.edu)
Date: Wed Dec 05 2007 - 11:56:18 CST

On Wed, Dec 05, 2007, FyD wrote:
>
> >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

Are these "just" charges, or are they complete force field files? For the
former, is there a way someone could move toward the latter?

...thx...dac

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