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Correlating the step size and number of steps in Monte Carlo simulations of spin label ESR spectra

✍ Scribed by Donald W Schlosser; Charles A Burke; Patricia C Jost; O.Hayes Griffith


Publisher
Elsevier Science
Year
1975
Weight
250 KB
Volume
17
Category
Article
ISSN
0022-2364

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📜 SIMILAR VOLUMES


A multiple time step algorithm compatibl
✍ Vincent Kräutler; Philippe H. Hünenberger 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 224 KB

## Abstract A new algorithm is introduced to perform the multiple time step integration of the equations of motion for a molecular system, based on the splitting of the nonbonded interactions into a series of distance classes. The interactions between particle pairs in successive classes are update