Error analysis of the poisson P 3M force field scheme for particle-based simulations of biological systems

David Marreiro, Shela Aboud, Marco Saraniti, Robert Eisenberg

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

The analysis of the errors associate with the real space Poisson particle-particle-particle-mesh (P 3M) force field approach for biological systems is presented. The methods to improve the efficiency and accuracy of the P 3M are also discussed. The P 3M approach accounts for both long-lange and short-range electrostatic interactions in the simulation of biological systems. For the accuracy assessment of the approach, the radial distribution function (RDF) of the ionic population is calculated with Brownian dynamics, and compared with the analytic solution of the Ornstein-Zernike equation, using the hypernetted-chain closure relation.

Original languageEnglish (US)
Title of host publication2004 10th International Workshop on Computational Electronics, IEEE IWCE-10 2004, Abstracts
Pages203-204
Number of pages2
StatePublished - Dec 1 2004
Externally publishedYes
Event2004 10th International Workshop on Computational Electronics: The Field of Computational Electronics - Looking Back and Looking Ahead, IEEE IWCE-10 2004, Abstracts - West Lafayette, IN, United States
Duration: Oct 24 2004Oct 27 2004

Publication series

Name2004 10th International Workshop on Computational Electronics, IEEE IWCE-10 2004, Abstracts

Other

Other2004 10th International Workshop on Computational Electronics: The Field of Computational Electronics - Looking Back and Looking Ahead, IEEE IWCE-10 2004, Abstracts
CountryUnited States
CityWest Lafayette, IN
Period10/24/0410/27/04

ASJC Scopus subject areas

  • Engineering(all)

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