Date: Wed, 23 Sep 2015 12:05:46 -0400
Hey Jason
I am trying to make sense of the equation given in " Constant pH MD in
Generalized Born Implicit Solvent" by David Case.
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I understand that del G elec,ref is calculated from the Thermodynamic
Integration. I am not able to get protonation state change for my system
and I want to know how to find the del G elec which the simulation code
calculates so that I can compare that value with my del G elec,ref and
troubleshoot.
Thank You
Rahul Ramesh
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