Recently Tobias and Broods introduced a method to compute by molecular dynamics with constraints the probability density P(r) = (&r-7)) associated with rate values i of a spatial coordinate r. In this Letter we extend their approach to the case of a general reaction coordinate C(r), an arbitrary fun
โฆ LIBER โฆ
Molecular dynamics with constraints
โ Scribed by M.K Memon; R.W Hockney; S.K Mitra
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 533 KB
- Volume
- 43
- Category
- Article
- ISSN
- 0021-9991
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