Kara-
Have you read p. 121 of the amber8 manual? It describes how r1 through r4
control the restraint potential.
Kristina
Quoting Kara Di Giorgio <kdigiorgio.sbcglobal.net>:
> I'm trying to set distance restraints between the Ca and the O's of the
> protein.
>
> Any help is greatly appreciated!
>
> Kara Di Giorgio
>
> On Apr 13, 2005, at 2:18 PM, Carlos Simmerling wrote:
>
> > do you want positional restraints? in that case you don't
> > need the disang file. that's for distance, angle or dihedral
> > restraints. tell us what you are trying to restrain and we can
> > point you to the right spot...
> > carlos
> >
> > Kara Wald wrote:
> >
> >> I'm trying to restrain a Ca within a protein for a dynamics
> >> simulation and am having trouble formatting the DISTANG file.
> >>
> >> I've looked at the sample files in the manual and read the section.
> >> What are r1 through r4? In the manual, there is a blank listed next
> >> to them and I've found references to "should be formatted like
> >> r1through r4" but no info about what they stand for/mean.
> >>
> >> Thanks,
> >>
> >> Kara Di Giorgio
> >>
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-----------------------------------------------------------------
Kristina E. Furse
Department of Chemistry
Center for Structural Biology
Vanderbilt University
Email: kristina.e.furse.Vanderbilt.Edu
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Received on Thu Apr 14 2005 - 06:53:00 PDT
