VES Code

The VES code is a module for PLUMED that implements enhanced sampling methods based on Variationally Enhanced Sampling (VES). The VES code is developed by Omar Valsson at the Max Planck Institute for Polymer Research in Mainz, Germany.

Download and Installation

The VES code can be used with a wide range of molecular dynamics codes, for a complete list see the PLUMED manual.

The VES code is included in the official PLUMED release (from version 2.4) that can be downloaded here. New developments of the VES code will be made available in the official PLUMED repository.

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. Further information on compiling and installing PLUMED can be found here.

Manual and Tutorials

The manual of the VES code can be accessed here.

Tutorials from the MARVEL School on Variationally Enhanced Sampling, held in Lugano in February 2017, can be found here.

Questions regarding the VES code should be directed to the PLUMED user group.

Citation

If you use the VES code in your research you are asked to cite it in the following way:

VES Code, a library that implements enhanced sampling methods
based on Variationally Enhanced Sampling written by O. Valsson.
For the current version, see http://www.ves-code.org

For bibtex you can use the following record:

@misc{vescode,
Note = {\textit{VES Code}, a library that implements enhanced sampling methods
        based on Variationally Enhanced Sampling written by O.\ Valsson.
        For the current version, see http://www.ves-code.org}
}

Funding

From October 2014 to March 2017 the development of the VES code was supported by the NCCR MARVEL project, funded by the Swiss National Science Foundation.