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A comparative study of molecular dynamics in Cartesian and in internal coordinates: Dynamical instability in the latter caused by nonlinearity of the equations of motion.
Sang-Ho Lee
Kim Palmö
Samuel Krimm
Published in:
J. Comput. Chem. (2007)
Keyphrases
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numerical solution
molecular dynamics
differential equations
motion analysis
high performance computing
image sequences
scientific data
motion model
molecular dynamics simulations
motion estimation
optical flow
protein folding
motion field
moving objects
resource allocation
fluid flow
databases