VMD-L Mailing List

From: Paul R Brenner (pbrenne1_at_nd.edu)
Date: Mon Jan 31 2005 - 22:11:28 CST

Is it possible to use VMD to output index information for the dihedrals of a
molecule. I see that I can use the get function within atomselect to get the
angle values (phi,psi) but what I am looking for is an index.

(I then plan to align these indexes with those assigned by a molecular dynamics
program to selectively restrict their variation.)

Thanks for any pointers,

Paul R Brenner
Graduate Research Associate
Computer Science and Engineering
The University of Notre Dame