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ABSTRACT:
SUBMITTER: Bostick D
PROVIDER: S-EPMC1303069 | biostudies-literature | 2003 Jul
REPOSITORIES: biostudies-literature
Bostick David D Berkowitz Max L ML
Biophysical journal 20030701 1
Slab geometric boundary conditions are applied in the molecular dynamics simulation of a simple membrane-channel system. The results of the simulation were compared to those of an analogous system using normal three-dimensional periodic boundary conditions. Analysis of the dynamics and electrostatics of the system show that slab geometric periodicity eliminates the artificial bulk water orientational polarization that is present while using normal three-dimensional periodicity. Furthermore, even ...[more]