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Ingenuity in performing replica permutation: How to order the state labels for improving sampling efficiency
In the replica‐permutation method, an advanced version of the replica‐exchange method, all combinations of replicas and parameters are considered for parameter permutation, and a list of all the combinations is prepared. Here, we report that the temperature transition probability depends on how the...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley & Sons, Inc.
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10099539/ https://www.ncbi.nlm.nih.gov/pubmed/36346137 http://dx.doi.org/10.1002/jcc.27020 |