Binding free energy tutorial

From: jing liang (jingliang2015_at_gmail.com)
Date: Fri Oct 26 2018 - 14:37:51 CDT

Hi,

I downloaded the tutorial "Protein:ligand Standard Binding Free Energies: A
Tutorial for Alchemical and Geometrical Transformations" in the site:
https://www.ks.uiuc.edu/Training/Tutorials/
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?

Thanks.

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