Here is an extension of the interaction energy script to handle more than two groups and also to break out the van der Waals and electrostatic components.

The script will act upon all sets defined in the input trajectory. All of the results are organized in a study table. For larger trajectories with many groups, run it on the server rather than in debug mode.

Two example trajectories are included, one from Mesocite and one from Forcite. The Forcite and Mesocite settings files are necessary inputs.