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[Licence| Download | New Version Template] aeyc_v1_0.tar.gz(4524 Kbytes)
Manuscript Title: Metadyn View: Fast Web-Based Viewer of Free Energy Surfaces Calculated by Metadynamics
Authors: Petr Hosek, Vojtech Spiwok
Program title: Metadyn View
Catalogue identifier: AEYC_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 198(2016)222
Programming language: HTML5, JavaScript, CSS, WebGL.
Computer: Any computer with a modern web browser compatible with HTML5, JavaScript and CSS.
Operating system: Platform-independent.
RAM: Depends on the number of Gaussian hills and dimensionality of the bias potential.
Keywords: Free energy, Molecular dynamics, Enhanced sampling, Web-based visualisation.
Classification: 3, 7.7, 23.

Nature of problem:
Fast and interactive visualization of free energy surfaces of molecular systems calculated by metadynamics method

Solution method:
Implementation of optimized Bias Sum algorithm and a set of tools for free energy surface analysis

Unusual features:
The program, due to its web-based nature, can be run on a wide range of devices and without installation

Running time:
Couple of seconds for a medium sized HILLS file (tens of thousands of lines)