An increasing interest in molecular structures whose long term dynamics resemble those of bistable mechanical systems promotes the search of possible candidates that may operate as two-state switching units. Of particular interest are the systems that are capable to exhibit such bistable effects as spontaneous vibrations, stochastic resonance and spontaneous synchronization. Previously, in all-atom molecular dynamics simulations it has been demonstrated that short pyridine-furan springs show these bistable phenomena. In this article we introduce a coarse-grained model of such springs and investigate the possibility to observe the bistability effects, such as spontaneous vibrations. Our findings allow the studies of short pyridine-furan springs at large time and length scales and open field for further computational research of large bistable systems.
@article{arxiv.2407.14440,
title = {Coarse-graining bistability with the Martini force field},
author = {Alexander D. Muratov and Vladik A. Avetisov},
journal= {arXiv preprint arXiv:2407.14440},
year = {2024}
}