metadyn.vscht.cz

Metadyn View versions

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MetadynView is a web tool for visualization and analysis of free energy surfaces calculated by metadynamics method, in particular by Plumed package. You can try the original version or the new version (SVG output). Details on Metadyn View and its algorithm can be found in P. Hošek & V. Spiwok: Comput. Phys. Commun 198, 222-229 (2016). You can participate on development by filling the form. Maintenance and development of the tool is supported by Elixir Czech Republic.

Submitted by spiwokv on Mon, 04/01/2019 - 16:35

A special forthcoming issue of Frontiers in Molecular Biosciences on Machine Learning in Biomolecular Simulations will contain our article anncolvar: Approximation of Complex Collective Variables by Artificial Neural Networks for Analysis and Biasing of Molecular Simulations. The program anncolvar makes it possible to approximate difficult or impossible to calculate collective variable for metadynamics or other biased simulation in Plumed.

Submitted by spiwokv on Fri, 09/21/2018 - 11:04

Dear users of metadynview,
If you use R statistical program you can think about testing our metadynminer package.

Submitted by spiwokv on Mon, 07/02/2018 - 20:06

We have enabled users to share their HILLS files on metadyn.vscht.cz. You need to register at http://metadyn.vscht.cz/?q=user. After being approved by metadyn.vscht.cz staff you can login and fill the form at http://metadyn.vscht.cz/?q=addhills. MetadynView can be launched by clicking to a link. You can share your HILLS file on Facebook, Twitter and other networks.