Dear amber users,
In the course of mm_pbsa online,
http://ambermd.org/tutorials/advanced/tutorial3, 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!
Qinghua
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Received on Mon Sep 14 2009 - 13:32:44 PDT
