ABF error calculation

From: Xu, Jiancong (xuj1_at_ornl.gov)
Date: Fri Feb 29 2008 - 14:47:48 CST

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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