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Original Articles

On The Berendsen Thermostat

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Pages 177-187 | Received 01 Jun 1993, Accepted 01 Jan 1994, Published online: 23 Sep 2006
 

Abstract

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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