Fast analysis of molecular dynamics trajectories with graphics processing units—Radial distribution function histogramming

Author:

Levine Benjamin G.,Stone John E.,Kohlmeyer Axel

Publisher

Elsevier BV

Subject

Computer Science Applications,Physics and Astronomy (miscellaneous),Applied Mathematics,Computational Mathematics,Modeling and Simulation,Numerical Analysis

Reference51 articles.

1. Theory of Molecular Fluids;Gray,1984

2. Statistical Mechanics;McQuarrie,2000

3. Ion solvation in polarizable water – molecular-dynamics simulations;Dang;J. Am. Chem. Soc.,1991

4. Structure in liquid water – a study of spatial-distribution functions;Svishchev;J. Chem. Phys.,1993

5. Long-range structures in bulk water. A molecular dynamics study;Kohlmeyer;Z. Naturforsch.,1997

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