Avoiding a Pitfall in Dynamically Optimized Monte Carlo Method

  • M. Fasnacht
  • R. H. Swendsen
Conference paper
Part of the Springer Proceedings in Physics book series (SPPHY, volume 86)


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.


Equilibrium Position Biological Molecule Dynamically Optimize Minimal Potential Energy Inhomogeneous System 
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Copyright information

© Springer-Verlag Berlin Heidelberg 2001

Authors and Affiliations

  • M. Fasnacht
    • 1
  • R. H. Swendsen
    • 1
  1. 1.Physics DepartmentCarnegie Mellon UniversityPittsburghUSA

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