improper torsion

From: Hidekazu WATANABE (
Date: Fri May 18 2007 - 04:56:37 CDT

Hi, everybody.

I'd like to ask the potential of the improper torsion.
The potential function of the improper is
V(improper) = Kpsi(psi - psi0)^2 in NAMD parameter file.
How to define the angle psi in V(improper) = Kpsi(psi - psi0)^2,
in the case of 4 atoms A, B, C, and D forming following structure?

A - B <

Is psi defined as the dihedral angle between ABC and ABD plains,
or as the angle between bond AB and BCD plane?

Easy + Joy + Powerful = Yahoo! Bookmarks x Toolbar

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:44:41 CST