Dear all, In this old thread: https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2016-November/109530.html 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 independence. Thank you, Eugenio Gil -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
