AMBER Archive (2009)

Subject: [AMBER] problem of PBCAL/GB

From: Qinghua Liao (
Date: Tue Sep 08 2009 - 00:05:37 CDT

Dear amber users,
In the course of mm_pbsa online,, in the final results of mm_pbsa, the value of PBCAL is 944.49. Why is it positive? Is that right? While PBCAL/GB is explained as the electrostatic contribution to the solvation free energy calculated by PB or GB respectively. I am just confused, could somebody help me? Thanks in advance!
Best wishes!

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