[gmx-users] Solvation free energy calculation for proteins

bharat gupta bharat.85.monu at gmail.com
Wed Nov 20 06:49:07 CET 2013

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Hi,

I want to know whether is it possible to calculate solvation free energy of
protein in water using GROMACS. I came across a paper where they have done
the calculation using 3D RISM theory in AMBER...




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Bharat

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