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What is PLUMED-NEST?
PLUMED-NEST is the public repository of the PLUMED consortium. It provides all the data needed to reproduce the results of a PLUMED-enhanced molecular dynamics simulation (or analysis) contained in a published paper. Furthermore, PLUMED-NEST monitors the compatibility of the provided PLUMED input files with the current and development versions of the code and integrates links from these files to the PLUMED manual.
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What is PLUMED?
PLUMED is a freely-available, open-source library that provides a wide range of different methods, such as enhanced-sampling algorithms, free-energy methods, and tools to analyze the vast amounts of data produced by MD simulations. More information can be found here.
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What is the PLUMED consortium?
The PLUMED consortium is an open community composed of current and past PLUMED developers, contributors, and all those researchers whose work builds in part on PLUMED and at the same time drives the development and dissemination of PLUMED. The mission of the consortium is to transform the way researchers communicate the protocols that are used in their MD simulations, in order to maximize the impact of new research and promote the highest possible standards of scientific reproducibility. More information can be found here.
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How to contribute to PLUMED-NEST
Everybody can contribute to PLUMED-NEST. It is sufficient to provide a link to an archive containing all the data needed to reproduce a PLUMED-enhanced simulation (or analysis) along with some additional information. More detailed instructions and the form to upload a contribution can be found here.
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How to find a project in PLUMED-NEST
The list of contributions to PLUMED-NEST from current members of the PLUMED consortium as well as other researchers can be found here.