Re: ABF error calculation

From: Jerome Henin (jhenin_at_cmm.chem.upenn.edu)
Date: Fri Feb 29 2008 - 16:16:29 CST

Dear Jiancong,
The best source of information on this question is this paper by
Rodriguez-Gomez, Darve and Pohorille:
http://dx.doi.org/10.1063/1.1642607
Jerome

On Fri, Feb 29, 2008 at 3:47 PM, Xu, Jiancong <xuj1_at_ornl.gov> wrote:
> Dear all NAMD users,
>
> I have one simple question regarding performing the error analysis from the ABF free energy calculations, and wondering how to use the distFile (the output file containg force distributions) to estimate the error bars. Thanks much!
>
> Jiancong
>
> ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
> Jiancong Xu, Ph.D.
> Center for Molecular Biophysics
> Building 6011 MS6164
> Oak Ridge National Laboratory
> P.O.Box 2008
> Oak Ridge TN 37830, USA.
> Tel: (865) 241-9111
> Email: xuj1_at_ornl.gov
> http://cmb.ornl.gov
> ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
>
>
>

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