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The Collective Variable Monitoring (MON) method implemented in PMFLib is used to record the values of selected collective variables during a molecular dynamics simulation. The generated time series can be used for further analysis, such as plotting the time evolution of collective variables, checking the stability of a simulation, or estimating statistical properties including autocorrelation times. This method does not apply any bias or constraint to the system; it only monitors and writes the selected collective variables for subsequent processing. | The Collective Variable Monitoring (MON) method implemented in PMFLib is used to record the values of selected collective variables during a molecular dynamics simulation. The generated time series can be used for further analysis, such as plotting the time evolution of collective variables, checking the stability of a simulation, or estimating statistical properties including autocorrelation times. This method does not apply any bias or constraint to the system; it only monitors and writes the selected collective variables for subsequent processing. | ||
= | =Documentation= | ||
* [[MON:Controls]] | * [[MON:Controls]] | ||
* [[MON:Collective variables]] | * [[MON:Collective variables]] | ||
* [[MON:Examples]] | * [[MON:Examples]] | ||
Revision as of 13:45, 19 June 2026
Navigation: Documentation / Methods / Collective Variable Monitoring
Introduction
The Collective Variable Monitoring (MON) method implemented in PMFLib is used to record the values of selected collective variables during a molecular dynamics simulation. The generated time series can be used for further analysis, such as plotting the time evolution of collective variables, checking the stability of a simulation, or estimating statistical properties including autocorrelation times. This method does not apply any bias or constraint to the system; it only monitors and writes the selected collective variables for subsequent processing.