[AMBER] Using 3D-RISM to compute solvation free energy

From: Abhishek Mukhopadhyay <abmukho.vt.edu>
Date: Fri, 19 Apr 2013 16:36:05 -0400

Hi,
Is there a direct way to compute free energy of hydration using 3D-RISM? If
not, do I need to do Thermodynamic integration? Please help.

Thanks,
A.M
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Received on Fri Apr 19 2013 - 14:00:02 PDT