Hi AMBER folks,
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
If that is the improper for CNCO than why not define NCCO also. Why only
one improper is defined?
Similarly for CCNHN. Is it ok to just define one improper? or do we need
two?
thanks for the help.
Regards,
Ganesh
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Dec 18 2014 - 14:30:02 PST
