The flying ice cube: Velocity rescaling
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Harvey, Stephen C.; Tan, Robert K.-Z.; Cheatham, Thomas E.
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Article
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1998
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John Wiley and Sons
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English
โ 386 KB
This article describes an unexpected phenomenon encountered during MD simulations: velocity rescaling using standard protocols can ลฝ . systematically change the proportion of total kinetic energy KE found in motions associated with the various degrees of freedom. Under these conditions, the simulati