BSCO can be combined with
the ff99SB protein changes without trouble.
On 6/14/07, j j <fantvamp.gmail.com> wrote:
>
> What about parmbsc0
> http://mmb.pcb.ub.es/PARMBSC0/
> Maybe is the newest for nucleic acids.
> JJ
>
> 2007/6/14, Carlos Simmerling <carlos.simmerling.gmail.com>:
> > Hi Brent,
> > ff99SB only changed the protein phi/psi specific torsions.
> > I don';t recall saying DNA was different, I can't think of any
> > reason why it would be.
> > carlos
> >
> >
> > On 6/14/07, Brent Krueger <kruegerb.hope.edu> wrote:
> > > Everyone,
> > >
> > > I believe this is a pretty simple question about recent force
> > > fields. In looking through the ff99SB frcmod file, it looks to me
> > > like these dihedrals should not have any effect on DNA or RNA. But,
> > > I recall Carlos mentioning something about a small difference in DNA
> > > behavior between ff99 and ff99SB on this list recently.
> > >
> > > Am I remembering Carlos's statement incorrectly, or am I looking at
> > > the frcmod file incorrectly?
> > >
> > >
> > > Thanks,
> > > Brent
> > >
> > >
> > >
> > >
> > __________________________________________________________________
> > > Brent P. Krueger phone: 616 395 7629
> > > Associate Professor fax:
> > 616 395 7118
> > > Hope College SC 2120
> > > Department of Chemistry
> > > Holland, MI 49423
> > >
> > >
> > >
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> >
> >
> >
> >
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--
===================================================================
Carlos L. Simmerling, Ph.D.
Associate Professor Phone: (631) 632-1336
Center for Structural Biology Fax: (631) 632-1555
CMM Bldg, Room G80
Stony Brook University E-mail: carlos.simmerling.gmail.com
Stony Brook, NY 11794-5115 Web: http://comp.chem.sunysb.edu
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Received on Sun Jun 17 2007 - 06:07:23 PDT
