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The behaviour of the total momentum of a system immersed in the Berendsen thermostat is analyzed. It has been found that under certain conditions the kinetic energy of the system can be transformed from internal degrees of freedom to the external ones, and conversely. A concrete example of such a transformation is presented. The results of molecular dynamics simulations of the Fe4S4(SH)4 complex coupled to different external heat baths are discussed.
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Lemak et al. (1994) studied this question.
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