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The '''Berendsen thermostat''' | {{Stub-general}} | ||
The '''Berendsen thermostat''' is a method for controlling the [[temperature]] in a [[molecular dynamics]] simulation. | |||
The Berendsen [[thermostats |thermostat]] uses a weak coupling <math>(\gamma_i)</math> to an external heat bath of temperature <math>T_0</math>. This results in the modified equation of motion (Ref. 1 Eq. 8): | The Berendsen [[thermostats |thermostat]] uses a weak coupling <math>(\gamma_i)</math> to an external heat bath of temperature <math>T_0</math>. This results in the modified equation of motion (Ref. 1 Eq. 8): | ||
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where <math>\tau_T</math> is a time constant associated with the coupling. | where <math>\tau_T</math> is a time constant associated with the coupling. | ||
==References== | ==References== | ||
#[http://dx.doi.org/10.1063/1.448118 H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. DiNola, and J. R. Haak "Molecular dynamics with coupling to an external bath", Journal of Chemical Physics '''81''' pp. 3684-3690 (1984)] | |||
[[category: molecular dynamics]] | [[category: molecular dynamics]] |