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Length scales of lipid dynamics and molecular dynamics
1Biophysics Laboratory, Center for Biologics Evaluation and Research, FDA, Rockville, MD 20852-1448, USA.
Abstract:
Following a brief overview of length scales and system size in computer simulation, it is demonstrated that a simulation sized lipid bilayer (typically a 50 x 50 A2 patch) is in the regime where stretching dominates undulation, while the reverse holds for a flaccid macroscopic membrane. Then it is estimated that current system sizes of membrane simulations must be increased by at least a factor of 10 before thermodynamic limits are approached for quantities such as surface tension.