AMBER Archive (2007)

Subject: AMBER: corrected reaction field energy and PBCAL

From: AYTUG TUNCEL (ATUNCEL_at_ku.edu.tr)
Date: Sun Jul 08 2007 - 19:40:53 CDT

Dear all,

I am using amber8 MM-PBSA to calculate the binding energy between two molecules. I want to ask about the corrected reaction field energy term in com.all.out/rec.all.out/lig.all.out files. What does it mean and how is it related to PBCAL value in statistics.out file? thanks in advance.

Aytug

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