MOLECULAR-DYNAMICS SIMULATION OF THE DIPALMITOYLPHOSPHATIDYLCHOLINE (DPPC) LIPID BILAYER IN THE FLUID-PHASE USING THE NOSE-PARRINELLO-RAHMAN NPT ENSEMBLE

被引：34
|
作者：
SHINODA, W
FUKADA, T
OKAZAKI, S
OKADA, I
机构：
[1] Department of Electronic Chemistry, Tokyo Institute of Technology, Midori-ku, Yokohama, 227
来源：
CHEMICAL PHYSICS LETTERS | 1995年 / 232卷 / 03期
关键词：
D O I：
10.1016/0009-2614(94)01352-V
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
A dipalmitoylphosphatidylcholine (DPPC) bilayer could successfully be simulated in the Nose-Parrinello-Rahman NPT ensemble from an arbitrarily generated crystal-like initial configuration. The initial condition dependence may be small and various artefacts, which were found in molecular dynamics calculations with rectangular cells, could be avoided.
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页码：308 / 312
页数：5
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