An efficient implementation of the canonical molecular dynamics simulation using the reversible reference system propagator algorithm (r-RESPA) combined with the particle mesh Ewald method (PMEM) and with the macroscopic expansion of the fast multipole method (MEFMM) was examined. The performance of
Difficulties with multiple time stepping and fast multipole algorithm in molecular dynamics
✍ Scribed by Thomas C. Bishop; Robert D. Skeel; Klaus Schulten
- Book ID
- 111697386
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 195 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0192-8651
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