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The canonical ensemble molecular dynamics method proposed by Nosé (1984, Molec. Phys., 52, 255 and 1984, J. chem. Phys., 81, 511) is extended to include more than one temperature control variable. This extension makes it possible to control temperatures of different degrees of freedom (e.g. translation and molecular rotation) separately.
Shūichi Nosé (Wed,) studied this question.
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