Molecular Simulation, Volume 6, Issue 1-3 (1991)

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Molecular Simulation, Volume 6, Issue 1-3 (1991)

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Original Articles

Article
Convergence of the Chemical Potential in Aqueous simulations
Michael Mazor & B. Montgomery Pettitt
Pages: 1-4
Published online: 23 Sep 2006
AbstractforConvergence of the Chemical Potential in Aqueous simulations | References | PDF (275.3 KB)
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Article
Grand Molecular Dynamics: A Method for Open Systems
Tahir Çagin & B. Montgomery Pettitt
Pages: 5-26
Published online: 23 Sep 2006
AbstractforGrand Molecular Dynamics: A Method for Open Systems | References | PDF (1.2 MB)
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Article
Reaction Field Simulations of Monatomic and Diatomic Dipolar Fluids
Berthold Saager, Johann Fischer & Martin Neumann
Pages: 27-49
Published online: 23 Sep 2006
AbstractforReaction Field Simulations of Monatomic and Diatomic Dipolar Fluids | References | PDF (1 MB)
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Article
Large Scale Molecular Dynamics on Parallel Computers using the Link-cell Algorithm
M. R. S. Pinches, D. J. Tildesley & W. Smith
Pages: 51-87
Published online: 23 Sep 2006
AbstractforLarge Scale Molecular Dynamics on Parallel Computers using the Link-cell Algorithm | References | PDF (2 MB)
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Article
Convergence Properties of Monte Carlo Simulations on Fluids
Jiří Kolafa
Pages: 89-101
Published online: 23 Sep 2006
AbstractforConvergence Properties of Monte Carlo Simulations on Fluids | References | PDF (783.3 KB)
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Article
Monte Carlo Simulation of Tetrahedral Chains II: Properties of “First Self-avoiding Walks” and their Usability as Starting Configurations for Dynamic Relaxation Mechanisms
G. Zifferer
Pages: 103-119
Published online: 23 Sep 2006
AbstractforMonte Carlo Simulation of Tetrahedral Chains II: Properties of “First Self-avoiding Walks” and their Usability as Starting Configurations for Dynamic Relaxation Mechanisms | References | PDF (967.5 KB)
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Article
Generalized Verlet Algorithm for Efficient Molecular Dynamics Simulations with Long-range Interactions
H. Grubmüller, H. Heller, A. Windemuth & K. Schulten
Pages: 121-142
Published online: 23 Sep 2006
AbstractforGeneralized Verlet Algorithm for Efficient Molecular Dynamics Simulations with Long-range Interactions | References | PDF (1.2 MB)
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Article
Study of Clustering in Nonideal Ion Plasma by a Combined Open Ensemble Monte Carlo - Cluster Expansion Method
A. A. Martsinovski, S. V. Shevkunov & P. N. Vorontsov-Velyaminov
Pages: 143-151
Published online: 23 Sep 2006
AbstractforStudy of Clustering in Nonideal Ion Plasma by a Combined Open Ensemble Monte Carlo - Cluster Expansion Method | References | PDF (447 KB)
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Article
Direct Sampling of Local Density Fluctuations in Monte Carlo Simulations
Jiří Kolafa
Pages: 153-162
Published online: 23 Sep 2006
AbstractforDirect Sampling of Local Density Fluctuations in Monte Carlo Simulations | References | PDF (588.5 KB)
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Article
Simulations of Flexible Manifolds
J.-S. Ho & A. Baumgärtner
Pages: 163-173
Published online: 23 Sep 2006
AbstractforSimulations of Flexible Manifolds | References | PDF (642.1 KB)
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Article
Estimation of Free Energy Systematic Errors in Molecular Simulations of Globular Proteins Surrounded by Finite Water Clusters. One Center Multipole Expansion of Reaction Field Differences
Tomasz A. Wesołowski
Pages: 175-184
Published online: 23 Sep 2006
AbstractforEstimation of Free Energy Systematic Errors in Molecular Simulations of Globular Proteins Surrounded by Finite Water Clusters. One Center Multipole Expansion of Reaction Field Differences | References | PDF (516.6 KB)
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Note

Article
Convergence Behavior in Free Energy Simulations
Mansoor A. S. Saqi & Julia M. Goodfellow
Pages: 185-189
Published online: 23 Sep 2006
AbstractforConvergence Behavior in Free Energy Simulations | References | PDF (262.3 KB)
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Editorials

Editorial
Editorial board page for “Molecular Simulation”, Volume 6, Number 1-3
Page: a
Published online: 23 Sep 2006
AbstractforEditorial board page for “Molecular Simulation”, Volume 6, Number 1-3 | PDF (32.6 KB)
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