Confirmed. OpenMM does not return the individual energy terms to the main program. See openmm.doc:
"WARNING: At present the energy file is not written, since OpenMM only returns the total energies
(TOTE, TOTKE, EPOT and TEMP) and VOLUME."
If you absolutely need some specific energy terms you can post-process the trajectory using the energy command inside a CHARMM loop with the TRAJ READ command (dynamc.doc); something like this
echo energy terms
Last edited by lennart; 04/19/20 01:55 PM.