[Chimera-users] Potential Energy Calculations
meng at cgl.ucsf.edu
Fri Sep 21 17:23:40 PDT 2012
Sorry, no. Although the minimizer reports an energy, it is the total energy of the system, and no breakdown is available.
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.
> Nikolay Rodionov
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