Optimization of replica exchange temperature ladder under the well-tempered ensemble
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DOI: 10.1016/j.cplett.2018.09.036
Abstract: Abstract Selection of temperature sequence and bias factor is a critical step for the preparation of Parallel Tempering simulations in a Well-Tempered Ensemble (PT-WTE). We provide a scheme in this study to generate the temperature… read more here.
Keywords: temperature; optimization replica; well tempered; replica exchange ... See more keywords