Φορτώνει......
Error and efficiency of replica exchange molecular dynamics simulations
We derive simple analytical expressions for the error and computational efficiency of replica exchange molecular dynamics (REMD) simulations (and by analogy replica exchange Monte Carlo simulations). The theory applies to the important case of systems whose dynamics at long times is dominated by the...
Αποθηκεύτηκε σε:
| Κύριοι συγγραφείς: | , |
|---|---|
| Μορφή: | Artigo |
| Γλώσσα: | Inglês |
| Έκδοση: |
U.S. Government
2009
|
| Θέματα: | |
| Διαθέσιμο Online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2780465/ https://ncbi.nlm.nih.gov/pubmed/19894977 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3249608 |
| Ετικέτες: |
Προσθήκη ετικέτας
Δεν υπάρχουν, Καταχωρήστε ετικέτα πρώτοι!
|