Hi Dr. Case,
My question was when one considers CNCO why not define NCCO too ? Why only
one improper for the
4 atoms to keep in plane. Is one definition of improper enough?
thanks for your time.
Regards,
ganesh
On Fri, Dec 19, 2014 at 5:07 AM, David A Case <case.biomaps.rutgers.edu>
wrote:
>
> On Thu, Dec 18, 2014, Ganesh Kamath wrote:
> >
> > I have a basic question for the improper torsions in N-methyl-acetamide.
> > How many improper torsions are defined for this molecule governing these
> > set of 4 atoms.
> >
> > I see X -X -c -o 10.5 180. 2. JCC,7,(1986),230
>
> You can use ParmEd to examine the torsion angles in your prmtop file.
>
> ...good luck...dac
>
>
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Received on Fri Dec 19 2014 - 12:30:04 PST
