## 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
✦ LIBER ✦
Application of the G-JF discrete-time thermostat for fast and accurate molecular simulations
✍ Scribed by Grønbech-Jensen, Niels; Hayre, Natha Robert; Farago, Oded
- Book ID
- 123021677
- Publisher
- Elsevier Science
- Year
- 2014
- Tongue
- English
- Weight
- 434 KB
- Volume
- 185
- Category
- Article
- ISSN
- 0010-4655
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