Variationally Enhanced Sampling (VES code)

The VES code is a module for PLUMED that implements enhanced sampling methods based on Variationally Enhanced Sampling (VES) [108]. The VES code is developed by Omar Valsson, see the homepage of the VES code for further information.

The VES code is an optional module that needs to be enabled when configuring the compilation of PLUMED by using the '--enable-modules=ves' (or '--enable-modules=all') flag when running the 'configure' script.

In the tutorials you can learn how to use the methods implemented in the VES code.

The various components of the VES code module are listed and described in the following sections

• Biases
• Basis functions
• Target Distributions
• Optimizers
• Utilities
• Command Line Tools
• Tutorials