%0 Journal Article
%A Capelli, Riccardo
%A Carloni, Paolo
%A Camilloni, Carlo
%A Bonomi, Massimiliano
%A Tribello, Gareth
%A Bussi, Giovanni
%T Promoting transparency and reproducibility in enhanced molecular simulations
%J Nature methods
%V 16
%N 8
%@ 1548-7105
%C London [u.a.]
%I Nature Publishing Group
%M FZJ-2019-05101
%P 670 - 673
%D 2019
%X 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.
%F PUB:(DE-HGF)16
%9 Journal Article
%$ pmid:31363226
%U <Go to ISI:>//WOS:000477857700006
%R 10.1038/s41592-019-0506-8
%U https://juser.fz-juelich.de/record/865794