The Implementation of Slab Geometry for Membrane-Channel Molecular Dynamics Simulations
نویسندگان
چکیده
منابع مشابه
The implementation of slab geometry for membrane-channel molecular dynamics simulations.
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 orienta...
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ژورنال
عنوان ژورنال: Biophysical Journal
سال: 2003
ISSN: 0006-3495
DOI: 10.1016/s0006-3495(03)74458-0