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Comparing generalized ensemble methods for sampling of systems with many degrees of freedom
We compare two standard replica exchange methods using temperature and dielectric constant as the scaling variables for independent replicas against two new corresponding enhanced sampling methods based on non-equilibrium statistical cooling (temperature) or descreening (dielectric). We test the fou...
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| Veröffentlicht in: | J Chem Phys |
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| Hauptverfasser: | , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
AIP Publishing LLC
2016
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5097048/ https://ncbi.nlm.nih.gov/pubmed/27825215 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4965439 |
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