Molecular dynamics simulations of pure water employing two different empirical water models have been used to study the effects of different methods for truncation of long-range interactions in molecular mechanics calculations. As has been observed previously in integral equation studies, "shifting"
β¦ LIBER β¦
On the useful range of application of molecular dynamics simulations in the recoil interaction approximation
β Scribed by G. Hobler; G. Betz
- Book ID
- 114164730
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 123 KB
- Volume
- 180
- Category
- Article
- ISSN
- 0168-583X
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