REJECT

NAME
REJECT - Provide the length of the rejection phase
SYNOPSIS
REJECT   freject
DESCRIPTION
During the equilibration or rejection phase only instantaneous results are printed, while averages are discarded. The real argument freject indicates the time lag, in femtoseconds, of the rejection phase.
EXAMPLES
REJECT 1000.0
Does not accumulate averages during the initial 1000.0 fs of the run.
WARNINGS
This command is inactive during a minimization run (see command MDRUN in &SIMULATION).


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procacci 2021-12-29