MON:Controls

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The behaviour of the monitoring is controlled by the setup provided in the [mon] section. The section belongs to the {PMFLIB} group.

[mon]

Key Default value Type Description
fmode 0 integer The mode of the monitoring:
0 - the monitoring is disabled
1 - the monitoring is enabled
If the monitoring is enabled then at least one collective variable should be provided in the {MON} group. The collective variable specification is described in MON:Collective variables.
fsample 500 integer Every fsample MD steps, the actual information about collective variable values will be printed to the monitoring output file. The name of the output file is provided in the [files] section.