The velocity-rescaling option
(IEQFrq not zero) periodically
rescales the velocities. It uses the equations
(11.6)
where
is the number of free atoms in the system,
is Boltzmann's constant,
is the temperature in K specified by
the FINAltemperature parameter, denotes
the velocity of atom at
time , and angle brackets enclose a trajectory average over the time intervals
between the rescalings.