Hi,
check
http://pubs.acs.org/doi/abs/10.1021/ct100494z
and g_wham -h
Cheers,
Jochen
Am 3/20/12 10:10 AM, schrieb Steven Neumann:
Dear Gmx Users,
Could you please write me how to evaluate the statistical error of the
binding free energy obtained by umbrella sampling?
Thank you
Steven
--
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Dr. Jochen Hub
Computational Molecular Biophysics Group
Institute for Microbiology and Genetics
Georg-August-University of Göttingen
Justus-von-Liebig-Weg 11, 37077 Göttingen, Germany.
Phone: +49-551-39-14189
http://cmb.bio.uni-goettingen.de/
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