Abstract
This paper examines a problem that might occur during the equilibration phase in simulations using the Dynamically Optimized Monte Carlo Method (DOMC) [1], a method for the simulation of anisotropic and inhomogeneous systems such as biological molecules. A criterion to detect the problem is presented along with an extension of DOMC to improve performance of the method during equilibration. The improved DOMC method is shown to perform well on test cases.
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© 2001 Springer-Verlag Berlin Heidelberg
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Fasnacht, M., Swendsen, R.H. (2001). Avoiding a Pitfall in Dynamically Optimized Monte Carlo Method. In: Landau, D.P., Lewis, S.P., Schüttler, HB. (eds) Computer Simulation Studies in Condensed-Matter Physics XIII. Springer Proceedings in Physics, vol 86. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-56577-9_9
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DOI: https://doi.org/10.1007/978-3-642-56577-9_9
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-41190-1
Online ISBN: 978-3-642-56577-9
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