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The flying ice cube: Velocity rescaling in molecular dynamics leads to violation of energy equipartition.
Stephen C. Harvey
Robert K.-Z. Tan
Thomas E. Cheatham III
Published in:
J. Comput. Chem. (1998)
Keyphrases
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molecular dynamics
fluid flow
high performance computing
molecular dynamics simulations
protein folding
energy consumption
scientific data
data mining
optical flow
motion estimation
data management
computer systems
energy efficiency
computational fluid dynamics