From: Michael Thomas (exploding.dinosaurs_at_gmail.com)
Date: Tue Oct 06 2009 - 06:33:25 CDT
I'd like to calculate the energy of a particular system that contains
harmonic constraints on a number of atoms. I'd like to know if the
harmonoic constraint energy is included in the total energy of the
system or is subtracted out?
Thanks in advance,
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