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TEMPERATURE

 NAME
TEMPERATURE – Set the system temperature for the run
 SYNOPSIS
TEMPERATURE  temp  dt
 DESCRIPTION
The argument $temp$ is the target temperature for the simulation run. $dt$ is used only during the rejection phase (see command REJECT of environment &RUN) and indicates the temperature window in Kelvin outside which temperature scaling occurs. Scaling stands here for random initialization of the system velocities at temperature $temp$ according to a Gaussian distribution. System scaling in rejection phase occurs also during constant temperature simulations (see command THERMOS in &SIMULATION).
 EXAMPLES
TEMPERATURE 300.0 50.0
 WARNINGS
Work only during the rejection phase (see REJECT in environment &RUN).


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