Collective Variable Monitoring: Difference between revisions
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=Introduction= | =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. | |||
==Technical Documentation== | ==Technical Documentation== | ||
Revision as of 12:58, 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.