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METAGUI. A VMD interface for analyzing metadynamics and molecular dynamics simulations.

Xevi BiarnésFabio PietrucciFabrizio MarinelliAlessandro Laio
Published in: Comput. Phys. Commun. (2012)
Keyphrases
  • molecular dynamics simulations
  • molecular dynamics
  • user interface
  • database
  • state space
  • software engineering
  • data processing
  • context aware