From: Christian Jorgensen (christian.jorgensen_at_merton.ox.ac.uk)
Date: Mon Nov 08 2010 - 16:23:51 CST
In the book Chipot and Pohorille "Free Energy Calculations", Springer, there is an equation (2.49) for the modification of the parametrization of the van der Waals term in the potential energy function that governs the interaction of an appearing or disappearing atom i with an unaltered one j.
My question: How is this equation coded in the src directory of NAMD?
I am only just starting my graduate studies and cannot read C / C++ so I do not entirely understand the files in the NAMD src
My question: I also want to know how NAMD codes the equivalent equation to (2.49) for the electrostatic potential?
Any input here would be much appreciated!
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