Next: Multiple Andersen thermostats
Up: Additional thermostats
Previous: Additional thermostats
In the method proposed by Andersen ,
the system is thermally coupled with a fictitious heat bath with the desired temperature.
The coupling is represented by stochastic impulsive forces
that act occasionally on randomly selected particles.
The simulation with an Andersen thermostat is performed if
MDALGO=1. The metadynamics with an Andersen thermostat
is invoked by setting MDALGO=11.
The collision probability is defined as an average number of collisions per atom
and time-step. This quantity can be controlled by the flag ANDERSEN_PROB,
see Sec. 6.62.3.
The total number of collisions with the heat-bath is written in the file
REPORT for each MD step.
N.B. Requests for support are to be addressed to: firstname.lastname@example.org