AMBER Archive (2008)
Subject: Re: AMBER: comparison of MD trajectories recorded with pmemd and sander
From: Thomas Cheatham III (tec3_at_utah.edu)
> Molecular dynamics trajectories are inherently chaotic. This means that the
...I always like to point people to the Braxenthaler/Moult article:
Braxenthaler et al. "Chaos in protein dynamics" Proteins 29, 417-425 (1997)
Nerukh et al. "Complexity of classical dynamics of molecular systems.
Cooke/Schmidler "Statistical prediction and molecular dynamics