PLUMED is an open-source software library that is used for enhancing the sampling of molecular simulations. It provides a powerful framework for implementing advanced sampling techniques and free energy calculations in molecular dynamics (MD) and Monte Carlo simulations. Researchers use PLUMED to add custom collective variables (CVs) that describe the essential features of the system being studied, allowing for the analysis of a wide range of molecular phenomena, such as folding, binding, and conformational transitions.
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