Group forces in tclForces

From: Benjamin Bouvier (
Date: Mon Jul 27 2009 - 06:02:12 CDT

Hi all,

I was wondering how exactly a group force, passed to NAMD using addGroup /
addForce from tclForces, was applied to the atoms building up the group. I
can imagine different possibilities:
  1. All atoms inside the group are subjected to the given force;
  2. Same as 1., but the force is divided by the number of atoms;
  3. Each atomic force is reweighted by the ratio of the atom's mass over
the total group mass.

Which is it? Or is it something else still?
I can probably use the source to find the answer, but if anyone already
knows and is willing to save me some time ;-)


Benjamin Bouvier

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