Ewald summation and multiple time step methods for molecular dynamics simulation of biological molecules
โ Scribed by Y. Komeiji
- Book ID
- 114143862
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 246 KB
- Volume
- 530
- Category
- Article
- ISSN
- 0166-1280
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## 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