Dear Amber users,
The protein I am working with have three domains. Now I am trying to
calculate a dihedral angle defined by two structures, the starting
structure and a snapshot from simulation trajectory. More precisely, a
plane is drawn between the center of mass of three domains, and the
dihedral angle of interest is formed by this plane from starting structure
and a simulation snapshot. I just wondering possibilities of doing such an
angle calculation with CPPTRAJ.
Any help is appreciated
Anu
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jan 15 2016 - 05:00:04 PST
