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This Experiment Directed Simulation module contains methods for adaptively determining linear bias parameters such that each biased CV samples a new target mean value. This module implements the stochastic gradient descent algorithm in the original EDS paper [107] as well as additional minimization algorithms for Coarse-Grained Directed Simulation [53].
Notice that a similar method is available as MAXENT, although with different features and using a different optimization algorithm.
This module is not installed by default. Add '--enable-modules=eds' to your './configure' command when building PLUMED to enable these features.
Currently, all features of the EDS module are included in a single EDS bias function: EDS
A tutorial using EDS specifically for biasing coordination number can be found on Andrew White's webpage.
1.8.14