interaction energy

From: zhilei chen (
Date: Tue Jan 06 2004 - 13:26:47 CST

Dear NAMD users,
Sorry this might be a silly question;(
I want to calculate the interaction energy between two residues. I used
pairInteraction command in NAMD on the dcd file, and I got the VMD_FORCE
and ELECT_FORCE, in the unit of kcal/mol/A. I am not sure how to convert
this force into energy. Shall I just multiply the force by the distance
between these two residues? Because each residues compose of multiple
atoms, I don't know what distance I shall use.

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