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Analysis of Plumed output by Metadynminer - Plumed Masterclass 2022 - MaRDI portal

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Analysis of Plumed output by Metadynminer - Plumed Masterclass 2022

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DOI10.5281/zenodo.6056060Zenodo6056060MaRDI QIDQ6684279

Dataset published at Zenodo repository.

Author name not available (Why is that?)

Publication date: 12 February 2022



Description

We provide input data for the Plumed Masterclass Analysis of Plumed output by Metadynminer. Input and output data are available for metadynamics simulations of alanine dipeptide in water using Gromacs and Plumed. It was calculated with two collective variables phi and psi (10 ns), or with a single collective variable phi or psi (1 ns).






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