Collective Variable Monitoring: Difference between revisions
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=Introduction= | =Introduction= | ||
The Collective Variable Monitoring (MON) method implemented in PMFLib | The Collective Variable Monitoring (MON) method implemented in PMFLib records 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 imposes no bias or constraint on the system; it only monitors and writes the selected collective variables for subsequent processing. | ||
=Documentation= | =Documentation= | ||
Latest revision as of 10:20, 21 June 2026
Navigation: Documentation / Methods / Collective Variable Monitoring
Introduction
The Collective Variable Monitoring (MON) method implemented in PMFLib records 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 imposes no bias or constraint on the system; it only monitors and writes the selected collective variables for subsequent processing.