Chapter 5. Molecular Dynamics simulations

Kapitel in diesem Buch

1. Frontmatter i
2. Preface v
3. Contents ix
4. List of Algorithms xvii
5. Chapter 1. Introduction to computer simulation 1
6. Chapter 2. Scientific Computing in C 84
7. Chapter 3. Fundamentals of statistical physics 211
8. Chapter 4. Inter- and intramolecular potentials 264
9. Chapter 5. Molecular Dynamics simulations 294
10. Chapter 6. Monte Carlo simulations 357
11. Chapter 7. Advanced topics, and applications in soft matter 408
12. Appendix A. The software development life cycle 444
13. Appendix B. Installation guide to Cygwin 445
14. Appendix C. Introduction to the UNIX/Linux programming environment 448
15. Appendix D. Sample program listings 470
16. Appendix E. Reserved keywords in C 473
17. Appendix F. Functions of the standard library <string.h> 474
18. Appendix G. Elementary combinatorial problems 475
19. Appendix H. Some useful constants 477
20. Appendix I. Installing the GNU Scientific Library, GSL 478
21. Appendix J. Standard header files of the ANSI-C library 479
22. Appendix K. The central limit theorem 480
23. Bibliography 481
24. Glossary of Acronyms 505
25. Index 506
26. Authors 509