[OT] A new method for quantifying convergence of MD simulations

From: Nicholas M Glykos (glykos_at_mbg.duth.gr)
Date: Mon Oct 21 2013 - 12:37:45 CDT

Dear All,

A new kid is in town for quantifying convergence (or otherwise :-)) of
biomolecular simulations. A program (for R) implementing the method is
available via


A preprint of a working draft of a paper presenting the method is
available via


We would be grateful for any comments, suggestions, flames and bug reports
(which should be directed to me and not to the innocent mailing lists that
I've misused for advertising this method).

All the best,

            Nicholas M. Glykos, Department of Molecular Biology
     and Genetics, Democritus University of Thrace, University Campus,
  Dragana, 68100 Alexandroupolis, Greece, Tel/Fax (office) +302551030620,
    Ext.77620, Tel (lab) +302551030615, http://utopia.duth.gr/~glykos/

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