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

نویسندگان

  • Xevi Biarnés
  • Fabio Pietrucci
  • Fabrizio Marinelli
  • Alessandro Laio
چکیده

a Institut Químic de Sarrià (IQS), Laboratory of Biochemistry, Via Augusta, 390, Barcelona, ES 08017, Spain b Centre Européen de Calcul Atomique et Moléculaire (CECAM), Ecole Polytechnique Fédérale de Lausanne, BCH 4102, Lausanne, CH 1015, Switzerland c Max Planck Institute of Biophysics (MPIBP), Theoretical Molecular Biophysics, Max-von-Laue-Straße, 3, Frankfurt am Main, DE 60438, Germany d Scuola Internazionale Superiore di Studi Avanzati (SISSA), Via Bonomea, 265, Trieste, IT 34136, Italy

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عنوان ژورنال:
  • Computer Physics Communications

دوره 183  شماره 

صفحات  -

تاریخ انتشار 2012