Hi All,
I've been noticed that in many of my MM-PBSA calculations, the
electrostatic and solvation energy are compensated with each other; i.e.,
when one is negative, the other would be positive with relatively close
absolute values. It's pretty straightforward to explain why the
electrostatic energy is negative would lead to positive solvation energy.
But I'm not quite sure about the positive electrostatic and negative
solvation energy. Any comment or explanation in the later situation is
appreciated.
Thank you,
Trang
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Received on Tue Sep 20 2016 - 22:30:02 PDT
