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A generalized Langevin algorithm for studying permeation across biological ion channels

Gordon, Daniel; Krishnamurthy, Vikram; Chung, Shin-Ho

Description

We present a new leapfrog algorithm for the numerical solution of the generalized Langevin equation (GLE) in the case where the friction kernel is exponentially decaying. Like other leapfrog and Verlet algorithms, our algorithm is second order in velocity and third order in position. It is relatively easy to implement compared with other available algorithms, and would therefore make a good candidate for exploring the effects of finite memory time-scales in situations where modelling the...[Show more]

CollectionsANU Research Publications
Date published: 2008
Type: Journal article
URI: http://hdl.handle.net/1885/60925
Source: Molecular Physics
DOI: 10.1080/00268970802169145

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