forces on fixed atoms

From: Bennion, Brian (
Date: Wed Feb 16 2011 - 16:01:44 CST


I have a system where I would like to know the forces acting on a set of fixed atoms by the free atoms in the system. Initially I thought that a simple tclforces script would give me that information, however when loadtotalforces is used it appears to be zero'ed out already.

Any thoughts?

Brian Bennion

Biosciences and Biotechnology Division
Lawrence Livermore National Laboratory
7000 East Ave Livermore California 94550

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