Unbiased Rotational Moves for Rigid-Body Dynamics

Daniel A. Beard, Tamar Schlick

Research output: Contribution to journalArticle

Abstract

We introduce an unbiased protocol for performing rotational moves in rigid-body dynamics simulations. This approach - based on the analytic solution for the rotational equations of motion for an orthogonal coordinate system at constant angular velocity - removes deficiencies that have been largely ignored in Brownian dynamics simulations, namely errors for finite rotations that result from applying the noncommuting rotational matrices in an arbitrary order. Our algorithm should thus replace standard approaches to rotate local coordinate frames in Langevin and Brownian dynamics simulations.

Original languageEnglish (US)
Pages (from-to)2973-2976
Number of pages4
JournalBiophysical Journal
Volume85
Issue number5
DOIs
StatePublished - Nov 2003

ASJC Scopus subject areas

  • Biophysics

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