Dear all,
I am trying to calculate non-bonded interaction energy between enzyme and
solvent by using MM-PBSA.
The solvent which I am doing simulation consists of two different kinds of
molecules (it's an ionic liquid (Explicit)).
I would like to know the VdW, and electrostatic energy between each
molecule type in the solvent and enzyme, separately.
I will appreciate it a lot if you give me any comments for solving this.
Thanks
Hoshin Kim
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Received on Mon Apr 02 2012 - 02:30:05 PDT
