[AMBER] Protein-Water Interaction Energy

From: Beale, John <John.Beale.stlcop.edu>
Date: Fri, 14 Jan 2011 07:00:18 -0600

I am conducting unfolding simulations on an 81-residue protein in explicit water. I need to calculate and plot the protein-water interaction energy over the course of my trajectory. Can someone point me to a method that will do this?

John



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Received on Fri Jan 14 2011 - 05:30:04 PST