[gmx-users] WHAM bootstrapping independence of windows

Eugenio Gil egil137 at gmail.com
Thu Feb 21 16:29:28 CET 2019

 Dear all,

In this old thread:
Dr. Jochen gives a few examples of when two windows in Umbrella Sampling
are not independet, for instance,  "if the orientation of peptide with
respect to the surface is was always the same at t=".

What is a general criteria of independence of each window? I thought
independence was considered from the computational point of view, so each
window is independent since each can be run separately. However, the
example referes more to the system configuratin. I would appreciate if
anyone can share a reference where I can cite the conditions of

Thank you,
Eugenio Gil

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