Berendsen thermostat

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The Berendsen thermostat [1] is a method for controlling the temperature in a molecular dynamics simulation. The Berendsen thermostat uses a weak coupling to an external heat bath of temperature . This results in the modified equation of motion (Ref. 1 Eq. 8):

.

This represents a proportional scaling of the velocities per time step from to , where (Ref. 1 Eq. 11)

where is a time constant associated with the coupling.

See also

References