total force on atom

From: Todd Trimble (
Date: Mon Apr 16 2007 - 14:59:13 CDT

Hi All,

Can someone tell me how to extract the total force acting on a
particular atom from a trajectory file? Do I just use
PairInteractionSelf with all atoms in the system in a single group?
Would this include all interactions, both bonded and nonbonded, as well
as forces from an applied electric field? Thanks,


Dr. Todd M. Trimble
Center for Applied Nanobioscience at the Biodesign Institute
Arizona State University
work: 480-727-0435
fax: 480-727-8283

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:44:34 CST