Binding free energy tutorial

From: jing liang (
Date: Fri Oct 26 2018 - 14:37:51 CDT


I downloaded the tutorial "Protein:ligand Standard Binding Free Energies: A
Tutorial for Alchemical and Geometrical Transformations" in the site:
The Alchemical Bound state simulation only ran fine for the backwards
direction. In the forwards
direction it showed the following error: jacobi too many iterations. I am
working with the
version 2.12 shared memory version. Have you experienced this issue in the
present test case?


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