Optimization of replica exchange temperature ladder under the well-tempered ensemble

Optimization of replica exchange temperature ladder under the well-tempered ensemble

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 sequence and the corresponding bias factor optimally. The number of replicas...

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書目詳細資料
Main Authors:	Liu, Yang, Li, Weifeng, Mu, Yuguang
其他作者:	School of Biological Sciences
格式:	Article
語言:	English
出版:	2020
主題:	Science::Biological sciences PT-WTE Temperature Sequence Optimization
在線閱讀:	https://hdl.handle.net/10356/136890
標簽:	添加標簽沒有標簽, 成為第一個標記此記錄!

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