21 Sep
2012
21 Sep
'12
5:23 p.m.
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