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Limiting relaxation times from Markov state models
2018
Journal of Chemical Physics
Markov state models (MSMs) are more and more widely used in the analysis of molecular simulations to incorporate multiple trajectories together and obtain more accurate timescale information of the slowest processes in the system. Typically, however, multiple lagtimes are used and analyzed as input parameters, yet convergence with respect to the choice of lagtime is not always possible. Here, we present a simple method for calculating the slowest relaxation time (RT) of the system in the limit
doi:10.1063/1.5027203
pmid:30134666
fatcat:kxjofeymc5aexpesprojgmgcr4