[gmx-users] lmc-stats

Andrew S. Paluch paluchas at miamioh.edu
Tue Oct 29 05:13:58 CET 2013


When performing free energy calculations using the expanded ensemble 
method, there is a barker and metropolis option for lmc-stats. Are the 
corresponding transition probabilities computed with or without the 
weighting factors? That is, are these probabilities biased or not?

Thank you,

Andrew

-- 

Andrew S. Paluch, PhD
Department of Chemical, Paper, and Biomedical Engineering
Miami University
PaluchAS at MiamiOH.edu
(513) 529-0784



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