Promoting transparency and reproducibility in enhanced molecular simulations

The PLUMED consortium

Research output: Contribution to journalComment/debate

391 Scopus citations


The PLUMED consortium unifies developers and contributors to PLUMED, an open-source library for enhanced-sampling, free-energy calculations and the analysis of molecular dynamics simulations. Here, we outline our efforts to promote transparency and reproducibility by disseminating protocols for enhanced-sampling molecular simulations.

Original languageEnglish
Pages (from-to)670-673
Number of pages4
JournalNature Methods
Issue number8
StatePublished - 1 Aug 2019


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