Book contents
- Frontmatter
- Contents
- Preface to the first edition
- Preface to the second edition
- About the software
- 1 Introduction
- 2 Basic molecular dynamics
- 3 Simulating simple systems
- 4 Equilibrium properties of simple fluids
- 5 Dynamical properties of simple fluids
- 6 Alternative ensembles
- 7 Nonequilibrium dynamics
- 8 Rigid molecules
- 9 Flexible molecules
- 10 Geometrically constrained molecules
- 11 Internal coordinates
- 12 Many-body interactions
- 13 Long-range interactions
- 14 Step potentials
- 15 Time-dependent phenomena
- 16 Granular dynamics
- 17 Algorithms for supercomputers
- 18 More about software
- 19 The future
- Appendix
- References
- Function index
- Index
- Colophon
About the software
Published online by Cambridge University Press: 28 February 2011
- Frontmatter
- Contents
- Preface to the first edition
- Preface to the second edition
- About the software
- 1 Introduction
- 2 Basic molecular dynamics
- 3 Simulating simple systems
- 4 Equilibrium properties of simple fluids
- 5 Dynamical properties of simple fluids
- 6 Alternative ensembles
- 7 Nonequilibrium dynamics
- 8 Rigid molecules
- 9 Flexible molecules
- 10 Geometrically constrained molecules
- 11 Internal coordinates
- 12 Many-body interactions
- 13 Long-range interactions
- 14 Step potentials
- 15 Time-dependent phenomena
- 16 Granular dynamics
- 17 Algorithms for supercomputers
- 18 More about software
- 19 The future
- Appendix
- References
- Function index
- Index
- Colophon
Summary
Software availability
Readers interested in downloading the software described in this book in a computer-readable form for personal, noncommercial use should visit the Cambridge University Press web site at http://uk.cambridge.org, where the home page for this book and the software can be found; a listing of the programs included in the software package appears in the Appendix. Additional material related to the book, as well as contact information, can be found at the author's website – http://www.ph.biu.ac.il/~rapaport.
Legal matters
The programs appearing in this book are provided for educational purposes only. Neither the author nor the publisher warrants that these programs are free from error or suitable for particular applications, and both disclaim all liability from any consequences arising out of their use.
- Type
- Chapter
- Information
- The Art of Molecular Dynamics Simulation , pp. xiii - xivPublisher: Cambridge University PressPrint publication year: 2004