Constraining a molecule and measuring the corresponding constraint force

From: Doug Moby (dougmoby_at_yahoo.com)
Date: Sat Sep 30 2006 - 08:36:31 CDT

Hi All

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!

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