convergence of abf

From: Jorgen Simonsen (jorgen589_at_gmail.com)
Date: Mon Sep 08 2008 - 09:16:20 CDT

Hi all,

I have performed a ABF simulation where I am trying to stretch a peptide -
the samples are more or less uniform distributed where the sample size is
around 100.000 but how can one be sure that the energy has converged? My
sampling time 5 ns which is a ilttle short but.....

Any advice or comments appreciated

thanks in advance

Best
J

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