VMD-L Mailing List

From: Jan Saam (jan.saam_at_charite.de)
Date: Thu Feb 17 2005 - 16:00:00 CST

Brian,

you an do that with MDEnergy.

Jan

> 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
>
>
>