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BU-MBAR: A hybrid solution strategy for the MBAR equations

Müller, Fabio et al.
arXiv (All) · Papers
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chemical-physicscomputational-physicssoft-condensed-matterstatistical-mechanics
The multi-state Bennett acceptance ratio (MBAR) equations combine the data collected under different thermodynamic conditions in a statistically optimal way. Due to their practical importance, several solution strategies have been devised to optimize the convergence of the resulting set of coupled e
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