> Molecular dynamics trajectories are inherently chaotic. This means that the
> trajectory is extremelly dependent on initial conditions.
...I always like to point people to the Braxenthaler/Moult article:
Braxenthaler et al. "Chaos in protein dynamics" Proteins 29, 417-425 (1997)
Also, perhaps:
Nerukh et al. "Complexity of classical dynamics of molecular systems.
II. Finite statistical complexity of a water-Na+ system." J Chem Phys
117, 9618 (2002)
Cooke/Schmidler "Statistical prediction and molecular dynamics
simulation" Biophys J 95, 4497-4511 (2008).
--tec3
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Received on Fri Dec 19 2008 - 01:10:00 PST
