Analysis of Plumed output by Metadynminer - Plumed Masterclass 2022

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Dataset:6684279



DOI10.5281/zenodo.6056060Zenodo6056060MaRDI QIDQ6684279FDOQ6684279

Dataset published at Zenodo repository.

Vojtech Spiwok

Publication date: 12 February 2022



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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