Methodological problems in pressure profile calculations for lipid bilayers

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Methodological problems in pressure profile calculations for lipid bilayers.

From molecular dynamics simulations of a dipalmitoyl-phosphatidyl-choline (DPPC) lipid bilayer in the liquid crystalline phase, pressure profiles through the bilayer are calculated by different methods. These profiles allow us to address two central and unresolved problems in pressure profile calculations: The first problem is that the pressure profile is not uniquely defined since the expressi...

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ژورنال

عنوان ژورنال: The Journal of Chemical Physics

سال: 2005

ISSN: 0021-9606,1089-7690

DOI: 10.1063/1.1862624