[AMBER] Positive value of electrostatic and negative value of EPB

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From: assawin daducale <sayong4.hotmail.com>
Date: Mon, 16 Aug 2021 21:24:33 +0000

Hi everyone! I've just calculate the mmpbsa decomposition of my complex. And I got the output file including electrostatic energy EPB etc. But I found there are something strange. For example,I found the electrostatic value of one of my complex is positive and negative value of EPB in the same complex as well. But when I view the interaction of ligand-receptor, I found that the ligand is placed in hydrophobic region. Shouldn`t it be the reason why electrostatic is positive value and EPS is negative? thanks
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Received on Mon Aug 16 2021 - 14:30:02 PDT