From: Doug Moby (dougmoby_at_yahoo.com)
Date: Sat Sep 30 2006 - 08:36:31 CDT
I would like to run a NAMD simulation in which I constrain the z-component of the
center-of-mass of a molecule at a specified value, and I would like to know how much force
is required to maintain that constraint at each time step.
I know how to constrain the z-component of the center-of-mass, but does anybody know how to
report the corresponding z-component of the constraint force vector at each time step?
I looked through the tclForces section of the user guide but did not find what I'm looking for.
Many Thanks for your thoughts and help!
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:19:47 CST