Calculating Electrostatic Interactions Using the Particle−Particle Particle−Mesh Method with Nonperiodic Long-Range Interactions

Brock A. Luty; Wilfred F. van Gunsteren

doi:10.1021/jp9518623

journal article Jan 01, 1996

Calculating Electrostatic Interactions Using the Particle−Particle Particle−Mesh Method with Nonperiodic Long-Range Interactions

Brock A. Luty Wilfred F. van Gunsteren

The Journal of Physical Chemistry Vol. 100 No. 7 pp. 2581-2587 · American Chemical Society (ACS)

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References

28

[1]

Berendsen H. J. C. (1993)

[2]

Ewald P. Ann. Phys. (1921)

[3]

Allen M. P. (1987)

[4]

Luty B. A. Mol. Simulation (1994)

[5]

Luty B. A. J. Chem. Phys. (1995)

[6]

Computer Simulation Using Particles

R W Hockney, J W Eastwood

1988 10.1887/0852743920

[7]

Dynamics of Proteins and Nucleic Acids

J. Andrew McCammon, Stephen C. Harvey

1987 10.1017/cbo9781139167864

[8]

Molecular dynamics with stochastic boundary conditions

Max Berkowitz, J. Andrew McCammon

Chemical Physics Letters 1982 10.1016/0009-2614(82)80028-6

[9]

Brooks C. L. J. Chem. Phys. (1983)

[10]

Stochastic boundary conditions for molecular dynamics simulations of ST2 water

Axel Brünger, Charles L. Brooks, Martin Karplus

Chemical Physics Letters 1984 10.1016/0009-2614(84)80098-6

[11]

Belch A. C. Chem. Phys. Lett. (1985) 10.1016/0009-2614(85)80259-1

[12]

Image approximation to the reaction field

Harold L. Friedman

Molecular Physics 1975 10.1080/00268977500101341

[13]

On the Implementation of Friedman Boundary Conditions in Liquid Water Simulations

Anders Wallqvist

Molecular Simulation 1993 10.1080/08927029308022494

[14]

Alper H. E. J. Chem. Phys. (1993)

[15]

Juffer, A. H. On the Modelling of Solvent Mean Force Potentials. Ph.D. Thesis, University of Groningen, The Netherlands, 1993.

[16]

Computer simulation of ionic systems: The distorting effects of the boundary conditions

David J. Adams

Chemical Physics Letters 1979 10.1016/0009-2614(79)80190-6

[17]

Smith P. E. (1993)

[18]

A generalized reaction field method for molecular dynamics simulations

Ilario G. Tironi, René Sperb, Paul E. Smith et al.

The Journal of Chemical Physics 1995 10.1063/1.469273

[19]

Electrostatics in biomolecular structure and dynamics

Malcolm E. Davis, J. Andrew McCammon

Chemical Reviews 1990 10.1021/cr00101a005

[20]

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

Tom Darden, Darrin York, Lee G. Pedersen

The Journal of Chemical Physics 1993 10.1063/1.464397

[21]

Interaction Models for Water in Relation to Protein Hydration

H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren et al.

The Jerusalem Symposia on Quantum Chemistry and Bi... 10.1007/978-94-015-7658-1_21

[22]

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

Jean-Paul Ryckaert, Giovanni Ciccotti, Herman J.C Berendsen

Journal of Computational Physics 1977 10.1016/0021-9991(77)90098-5

[23]

Berendsen H. J. C. J. Chem. Phys. (1984)

[24]

Engineering and Scientific Subroutine Library Version 2, Guide and Reference, 1994.

[25]

Valleau J. P. J. Chem. Phys. (1987) 10.1063/1.451927

[26]

Lee C. Y. J. Chem. Phys. (1984)

[27]

Bader J. S. J. Phys. Chem. (1992) 10.1021/j100194a059

[28]

van Gunsteren W. F. (1987)

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References

Details

Published: Jan 01, 1996
Vol/Issue: 100(7)
Pages: 2581-2587

Authors

B

Brock A. Luty

Laboratorium für Physikalische Chemie, ETH Zentrum, CH-8092 Zürich, Switzerland

W

Wilfred F. van Gunsteren

Laboratorium für Physikalische Chemie, ETH Zentrum, CH-8092 Zürich, Switzerland

Cite This Article

Brock A. Luty, Wilfred F. van Gunsteren (1996). Calculating Electrostatic Interactions Using the Particle−Particle Particle−Mesh Method with Nonperiodic Long-Range Interactions. The Journal of Physical Chemistry, 100(7), 2581-2587. https://doi.org/10.1021/jp9518623

Calculating Electrostatic Interactions Using the Particle−Particle Particle−Mesh Method with Nonperiodic Long-Range Interactions

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