From: Kamp, Marc vander (Marc.vanderKamp_at_wur.nl)
Date: Mon Jul 26 2004 - 03:24:20 CDT
Just to make sure:
Interaction energy between two groups of atoms (kcal/mol) is simply the sum of the VDW_FORCE and ELECT_FORCE forces in the x, y and z direction (output of the pairInteraction parameters), isn't it?
(In other words, the summation of all 6 values listed after "PAIR INTERACTION:")
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