The algorithm is based on a grid search and on partitioning of the atoms into boxes rather than on calculations of distances. The effort associated with the generation of the box list grows only linearly with the number of atoms. The algorithm is particularly advantageous for solvated systems. Test
Reduction of the event-list for molecular dynamic simulation
โ Scribed by Koichiro Shida; Yuichiro Anzai
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 800 KB
- Volume
- 69
- Category
- Article
- ISSN
- 0010-4655
No coin nor oath required. For personal study only.
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