[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
More information about the gromacs.org_gmx-users
mailing list