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Additional Modules

Here is collected the documentation for the additional modules contributed to PLUMED. For information on how to enable modules see List of modules.

ModuleDescriptionAuthors

References

PLUMED-ISDB Integrative Structural and Dynamical Biology with PLUMED Max Bonomi and Carlo Camilloni [13]
Logarithmic Mean Force Dynamics Method for enhanced sampling and for free energy calculations along collective variables Tetsuya Morishita, Naoki Watanabe [71] [72] [73]
Experiment Directed Simulation Methods for incorporating additional information about CVs into MD simulations by adaptively determined linear bias parameters Glen Hocky, Andrew White [107] [53]
Extended-System Adaptive Biasing Force Methods for performing eABF or DRR method to calculate PMF along CVs Haochuan Chen, Haohao Fu [63] [64] [44]
Variationally Enhanced Sampling (VES code) Module that implements enhanced sampling methods based on Variationally Enhanced Sampling Omar Valsson [102]
PIV collective variable Permutation invariant collective variable (PIV) S. Pipolo, F. Pietrucci

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