In collaboration with Gareth A. Tribello, Massimiliano Bonomi, Davide Branduardi, and Carlo Camilloni, we have developed a completely refactored version of the plugin PLUMED. PLUMED 2.0 is a plugin that can be combined with popular molecular dynamics software to augment it with enhanced sampling techniques. It is simple to use and highly flexible, and allows to develop new methods just by editing its input file. We tried to document extensively this new version so that it is expected to be developer-friendly. What is more relevant for our project is that it is now possible and easy to add external packages. All the methods developed within this European grant will be made available either in the official version or in patches made available from this website.

A paper describing PLUMED 2.0 has been just accepted on Computer Physics Communications. The preprint is available for free on arXiv. More info on the PLUMED webpage.

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