Hi Dr. Case,
Thanks a lot for the information.
Kamali
On Tue, Aug 2, 2011 at 8:49 AM, case <case.biomaps.rutgers.edu> wrote:
> On Tue, Aug 02, 2011, Kamali Sripathi wrote:
> >
> > * &cntrl*
> > * nmropt=1,*
> > * imin=1, ntx=1, irest=0, ntpr=50, ntf=1, ntb=1,*
> > * cut=9.0, nsnb=10, ntr=1, maxcyc=1000, ncyc=500, ntmin=1,*
> > * &end*
> > *Group input for DNA restraints: 25 kcal/mol.*
> > * 25.0*
> > *RES 1 73*
> > *END*
> > *END*
> > *DISANG=DISANG*
>
> The group information (for ntr=1) comes *after* the file redirection
> commands
> (like DISANG). See section 2.5 of the Amber11 Users' Manual.
>
> ....dac
>
>
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Received on Tue Aug 02 2011 - 13:00:04 PDT
