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

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