## Abstract We describe an algorithm for computing nonbonded interactions with cutoffs on a graphics processing unit. We have incorporated it into OpenMM, a library for performing molecular simulations on high‐performance computer architectures. We benchmark it on a variety of systems including box
✦ LIBER ✦
Molecular dynamics for long-range interacting systems on graphic processing units
✍ Scribed by Rocha Filho, Tarcísio M.
- Book ID
- 121656344
- Publisher
- Elsevier Science
- Year
- 2014
- Tongue
- English
- Weight
- 590 KB
- Volume
- 185
- Category
- Article
- ISSN
- 0010-4655
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