Method for sampling compact conﬁgurations for semistiﬀ polymers
2011 (English)In: Physical Review E. Statistical, Nonlinear, and Soft Matter Physics, ISSN 1539-3755, Vol. 84, no 1, 016702- p.Article in journal (Refereed) Published
The sampling of compact configurations is crucial when investigating structural properties of semistiff polymers, like proteins and DNA, using Monte Carlo methods. A sampling scheme for a continuous model based on configuration biasing is introduced, tested, and compared with conventional methods. The proposed configuration biased Monte Carlo method, used together with the Wang-Landau sampling scheme, enables us to obtain any thermodynamic property within the statistical ensemble in use. Using the proposed method, it is possible to collect statistical data of interest for a wide range of compactions (from stretched up to several toroid loops) in a single computer experiment. A second-order-like stretched-toroid phase transition is observed for a semistiff polymer, and the critical temperature is estimated.
Place, publisher, year, edition, pages
2011. Vol. 84, no 1, 016702- p.
IdentifiersURN: urn:nbn:se:uu:diva-151616DOI: 10.1103/PhysRevE.84.016702ISI: 000293399500004OAI: oai:DiVA.org:uu-151616DiVA: diva2:410697