Published in

Elsevier, Biophysical Journal, 5(85), p. 2973-2976, 2003

DOI: 10.1016/s0006-3495(03)74717-1

Links

Tools

Export citation

Search in Google Scholar

Unbiased Rotational Moves for Rigid-Body Dynamics

Journal article published in 2003 by Daniel A. Beard ORCID, Tamar Schlick
This paper is available in a repository.
This paper is available in a repository.

Full text: Download

Green circle
Preprint: archiving allowed
Upload
Orange circle
Postprint: archiving restricted
Upload
Red circle
Published version: archiving forbidden
Policy details
Data provided by SHERPA/RoMEO

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.