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README.md

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This repository contains public branches developed in the srnas group at SISSA (see http://srnas.sissa.it)

To get the official plumed versions, please refer to the repository at http://github.com/plumed/plumed2

Below you can see the content of the local branches. These branches might be merged to official plumed repository as soon as they are ready for production.

  • srnas-master: This README file.

  • v2.1-openmp: A branch implementing OpenMP parallelization for a few variables. This branch also contains multiple-time-step integration. It will be merged in the official repository into v2.2.

  • v2.1-metad-targeted: A branch implementing extra keywords for metadynamics to enable the possibility to converge to a target distribution and the convergence of non well tempered metadynamics. This branch has been merged in the official v2.3 version.

  • v2.3-maxent: A branch implementing MaxEnt restraints including errors. Notice that the syntax of the MAXENT keyword is still subject to changes.