articleJournal of Chemical Information and ModelingJul 16, 2011Closed access

TRAVIS - A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories

Leipzig University

PubMed
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Abstract

We present TRAVIS ("TRajectory Analyzer and VISualizer"), a free program package for analyzing and visualizing Monte Carlo and molecular dynamics trajectories. The aim of TRAVIS is to collect as many analyses as possible in one program, creating a powerful tool and making it unnecessary to use many different programs for evaluating simulations. This should greatly rationalize and simplify the workflow of analyzing trajectories. TRAVIS is written in C++, open-source freeware and licensed under the terms of the GNU General Public License (GPLv3). It is easy to install (platform independent, no external libraries) and easy to use. In this article, we present some of the algorithms that are implemented in TRAVIS -…

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Topics & keywords

Keywords
  • Monte Carlo method
  • Statistical physics
  • Spectrum analyzer
  • Molecular dynamics
  • Dynamics (music)
  • Computer science
  • Physics
  • Computational chemistry
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