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 - 05:30:04 PST
