The deformable stochastic boundary method developed previously for &eating simple hquids without periodic bounky conditions., is extended to the ST:! model of water. The method is illustrated by a molecular dynamics simulation of a sphere containing 98 water molecules. Comparison with the results of
✦ LIBER ✦
Stochastic boundary conditions for grand-canonical-like molecular dynamics simulations of open systems
✍ Scribed by Manamohan Prusty; Jia Ning Leaw; Shan Shang Chong; Siew Ann Cheong
- Book ID
- 113554329
- Publisher
- Elsevier Science
- Year
- 2012
- Tongue
- English
- Weight
- 667 KB
- Volume
- 183
- Category
- Article
- ISSN
- 0010-4655
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## Abstract The discrete stochastic model of the gene‐expression regulation — elaborated in the first part of this work — is used for the dynamic analysis of some simple molecular‐genetic control systems. The aim is the determination of stationary states and of their stability behaviour, the findin