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User Guide for NOLB : Non-Linear Normal Mode Analysis

Authors :
Grudinin, Sergei
Algorithms for Modeling and Simulation of Nanosystems (NANO-D)
Inria Grenoble - Rhône-Alpes
Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Laboratoire Jean Kuntzmann (LJK )
Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP )-Institut National de Recherche en Informatique et en Automatique (Inria)-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])
Publication Year :
2018
Publisher :
HAL CCSD, 2018.

Abstract

Normal mode analysis (NMA) is an old and well established technique that has recently found many new applications in the field of structural biology and structural bioinformatics. Here we present a user guide for new computational scheme for nonlinear normal mode analysis that extrapolates a motion computed from instantaneous linear and angular velocities to large amplitudes. The method is available at https://team.inria.fr/nano-d/software/nolb-normal-modes/.

Details

Language :
English
Database :
OpenAIRE
Accession number :
edsair.dedup.wf.001..5e71fda6ecdefd9e235da3a6b14b8c73