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. |