| 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). |