Molecular dynamics study of a lipid bilayer: Convergence, structure, and long-time dynamics

Shinoda, Wataru; Namiki, Nobuo; Okazaki, Susumu
April 1997
Journal of Chemical Physics;4/1/1997, Vol. 106 Issue 13, p5731
Academic Journal
Reports on the possible success of long time molecular dynamics simulations for the dipalmitoylphosphatidylcholine lipid bilayer in the liquid crystal phase, in the isothermal-isobaric ensemble using the Nose-Parrinello-Rahman extended system method. Structural properties; Microscopic picture of the whole molecular conformations.


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