[AMBER] water molecules

From: Beale, John <John.Beale.stlcop.edu>
Date: Wed, 22 Dec 2010 06:48:38 -0600

I am performing MD simulations of the unfolding of a protein in explicit water. I would like to know how to determine and plot the number of water molecules entering the unfolding protein structure over the trajectory. Can someone point me in the right direction to do this?

John




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Received on Wed Dec 22 2010 - 05:00:05 PST