Re: different seeds and protein behavior

From: Nicholas M Glykos (
Date: Fri Jul 20 2012 - 03:14:17 CDT

What you refer to is the crux of sufficient sampling. If different runs
(or different parts of the same run) produce statistically different
results, then your measured quantites have not converged (and you should
continue the simulation). Although demonstrating sufficient sampling is
the name of the game in the field, in some cases (eg folding simulations)
there is not a consensus of how to demonstrate it in the first place
(eigenvector overlap from dPCA or cPCA is our current favorite, but
opinions across the community do vary).

My twocents,

            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,

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