Dear Amber Users,
I want to calculate the solvation free energy of my solute which consists
of 5000 atoms. My solute is already solvated in explicit solvent. If I use
MMPBSA ,do I need to have three separate systems i.e solvent, solute and
solvated solute. Only after I obtain the change in free energy from all the
three states I can calculate the electrostatic contribution to solvation
energy. Here how can I obtain the hydrophobic contribution.
Is there any other method to obtain the solvation free energy.
Thank You
Kirtana
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Received on Sat Oct 11 2014 - 22:30:02 PDT
