Collective Variable Monitoring

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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

• MON:Controls
• MON:Collective variables
• MON:Examples