Brownian dynamics algorithm for entangled wormlike threads.
The authors present a hybrid Brownian dynamics/Monte Carlo algorithm for simulating solutions of highly entangled semiflexible polymers or filaments. The algorithm combines a Brownian dynamics time-stepping approach with an efficient scheme for rejecting moves that cause chains to cross or that lead to excluded volume overlaps. The algorithm allows simulation of the limit of infinitely thin but uncrossable threads, and is suitable for simulating the conditions obtained in experiments on solutions of long actin protein filaments.
Ramanathan
Shriram
S
Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455, USA.
Morse
David C
DC