VMD-L Mailing List

From: Brian Kidd (bkidd_at_u.washington.edu)
Date: Wed Feb 16 2005 - 23:09:12 CST

i'm looking for a way to determine the bond energy (e.g. vdw,
electrostatic, hbond) between atoms on different residues. ideally,
i'd like to set up a loop to be able to determine the bond energies at
each time step during the simulation (i.e. based off of a dcd file).
does anyone know of a way to do this in vmd?

thanks,
-brian