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Configurational temperature in membrane simulations using dissipative particle dynamics
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UNSPECIFIED (2006) Configurational temperature in membrane simulations using dissipative particle dynamics. JOURNAL OF PHYSICAL CHEMISTRY B, 110 (8). pp. 3823-3830. doi:10.1021/jp055119e ISSN 1520-6106.
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Official URL: http://dx.doi.org/10.1021/jp055119e
Abstract
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.
Item Type: | Journal Article | ||||
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Subjects: | Q Science > QD Chemistry | ||||
Journal or Publication Title: | JOURNAL OF PHYSICAL CHEMISTRY B | ||||
Publisher: | AMER CHEMICAL SOC | ||||
ISSN: | 1520-6106 | ||||
Official Date: | 2 March 2006 | ||||
Dates: |
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Volume: | 110 | ||||
Number: | 8 | ||||
Number of Pages: | 8 | ||||
Page Range: | pp. 3823-3830 | ||||
DOI: | 10.1021/jp055119e | ||||
Publication Status: | Published |
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