Semiflexible filaments subject to arbitrary interactions: a Metropolis Monte Carlo approach

Abstract

In this paper we develop a Metropolis Monte Carlo algorithm capable of describing equilibrium statistics of semiflexible polymers of arbitrary stiffness and shape. By modelling the polymer as a discrete chain of links connecting vertices, we are able to efficiently calculate the position of all the vertices in the chain during the simulation and therefore include the effect of arbitrary potentials of external interactions, steric constraints and self-interactions on the polymer statistics. We illustrate this by examining the behavior of a single filament under constant extension and compression, as well as investigating the effect of a confining tube on chain statistics.