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Eigenvector method for umbrella sampling enables error analysis
Umbrella sampling efficiently yields equilibrium averages that depend on exploring rare states of a model by biasing simulations to windows of coordinate values and then combining the resulting data with physical weighting. Here, we introduce a mathematical framework that casts the step of combining...
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| Publicado no: | J Chem Phys |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
AIP Publishing LLC
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5010559/ https://ncbi.nlm.nih.gov/pubmed/27586912 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4960649 |
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