Brownian dynamics simulation of rigid particles of arbitrary shape in external fields

被引：86

作者：

Fernandes, MX ^{[1
]}

de la Torre, JG ^{[1
]}

机构：

[1] Univ Murcia, Fac Quim, Dept Quim Fis, E-30071 Murcia, Spain

来源：

BIOPHYSICAL JOURNAL | 2002年 / 83卷 / 06期

关键词：

D O I：

10.1016/S0006-3495(02)75309-5

中图分类号：

Q6 [生物物理学];

学科分类号：

071011 ;

摘要：

We have developed a Brownian dynamics simulation algorithm to generate Brownian trajectories of an isolated, rigid particle of arbitrary shape in the presence of electric fields or any other external agents. Starting from the generalized diffusion tensor, which can be calculated with the existing HYDRO software, the new program BROWNRIG (including a case-specific subprogram for the external agent) carries out a simulation that is analyzed later to extract the observable dynamic properties. We provide a variety of examples of utilization of this method, which serve as tests of its performance, and also illustrate its applicability. Examples include free diffusion, transport in an electric field, and diffusion in a restricting environment.

引用

页码：3039 / 3048

页数：10

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