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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| Main Authors: | , , |
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| 其他作者: | |
| 格式: | Article |
| 語言: | English |
| 出版: |
2020
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| 主題: | |
| 在線閱讀: | https://hdl.handle.net/10356/136890 |
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| 機構: | Nanyang Technological University |
| 語言: | English |