followup question on error calculation in ABF

From: Giovanni Bellesia (
Date: Wed Oct 07 2009 - 13:50:55 CDT

Hi all,
I am trying to use formula (22) in JCP 121(7), 2004 to calculate the
error in my ABF data.
 From the simulations, I have the distributions of the instantaneous
force for every bin.
Therefore, I am calculating sigma(F_{e,i}) fitting these distributions
with a Gaussian.

My problem is: I understand the definition of "sampling ratio" (1+2k)
but I don't know how to
calculate it since I don't have the values of the instantaneous force.
I think I'm missing something very simple here ... :o)


Giovanni Bellesia
Department of Chemistry and Biochemistry
University of California, Santa Barbara
Santa Barbara, California 93106-9510, USA.
Phone: 805 893 2767

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