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Parallel Unstructured Dynamic Grid Direct Monte Carlo Simulation of Molecular Gas Dynamics and Its Applications

✍ Scribed by Abhinav Singh; Yong Zhao


Book ID
110320102
Publisher
Springer US
Year
2001
Tongue
English
Weight
476 KB
Volume
16
Category
Article
ISSN
0885-7474

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We describe a new equilibration procedure for the atomic level simulation of a hydrated lipid bilayer. The procedure consists of alternating molecular dynamics trajectory calculations in a constant surface tension and temperature ensemble with configurational bias Monte Carlo moves to different regi