Communication: Consistent interpretation of molecular simulation kinetics using Markov state models biased with external information.

  title={Communication: Consistent interpretation of molecular simulation kinetics using Markov state models biased with external information.},
  author={Joseph F. Rudzinski and Kurt Kremer and T. Bereau},
  journal={The Journal of chemical physics},
  volume={144 5},
Molecular simulations can provide microscopic insight into the physical and chemical driving forces of complex molecular processes. Despite continued advancement of simulation methodology, model errors may lead to inconsistencies between simulated and reference (e.g., from experiments or higher-level simulations) observables. To bound the microscopic information generated by computer simulations within reference measurements, we propose a method that reweights the microscopic transitions of the… 

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