Length scales of lipid dynamics and molecular dynamics.
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.
Feller
S E
SE
Biophysics Laboratory, Center for Biologics Evaluation and Research, FDA, Rockville, MD 20852-1448, USA.
Pastor
R W
RW
D015060:1,2-Dipalmitoylphosphatidylcholine / Q000737:chemistry; D003198:Computer Simulation; D008051:Lipid Bilayers / Q000737:chemistry*; D008956:Models, Chemical; D008958:Models, Molecular; D013500:Surface Tension
D008051:Lipid Bilayers; D015060:1,2-Dipalmitoylphosphatidylcholine