期刊
JOURNAL OF PHYSICAL CHEMISTRY B
卷 110, 期 8, 页码 3823-3830出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp055119e
关键词
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The use of excessively long time steps in dissipative particle dynamics simulations may produce simulation artifacts clue to the generation of configurations which are not representative of the desired canonical ensemble. The configurational temperature, among other quantities, may be used to assess the extent of the deviation from equilibrium. This paper presents results for simulations of models of water and lipid bilayer membranes to illustrate the nature of the problems.
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