[Chimera-users] Potential Energy Calculations

[Elaine Meng]

Hi Nikolay,
Sorry, no.  Although the minimizer reports an energy, it is the total energy of the system, and no breakdown is available.
Elaine
-----
Elaine C. Meng, Ph.D.                       
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco

On Sep 21, 2012, at 4:32 PM, Nikolay Igorovich Rodionov wrote:

> Hi all, 
> I was wondering the there is a tool in chimera that can find the net interaction potential energy between models, something like Lennard Jones Potential. Specifically, I need to measure the interaction potential between a protein and water in a solvated system.
> Thanks! 
> Nikolay Rodionov