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User Guide for NOLB : Non-Linear Normal Mode Analysis

Sergei Grudinin 1
1 NANO-D - Algorithms for Modeling and Simulation of Nanosystems
Inria Grenoble - Rhône-Alpes, Grenoble INP - Institut polytechnique de Grenoble - Grenoble Institute of Technology, LJK - Laboratoire Jean Kuntzmann
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/.
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https://hal.inria.fr/hal-01565129
Contributor : Sergei Grudinin Connect in order to contact the contributor
Submitted on : Tuesday, February 13, 2018 - 10:45:03 AM
Last modification on : Wednesday, December 1, 2021 - 2:36:21 PM

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  • HAL Id : hal-01565129, version 2

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Sergei Grudinin. User Guide for NOLB : Non-Linear Normal Mode Analysis. 2018. ⟨hal-01565129v2⟩

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