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Preface to the second edition

Published online by Cambridge University Press:  28 February 2011

D. C. Rapaport
Affiliation:
Bar-Ilan University, Israel
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Summary

The second edition of The Art of Molecular Dynamics Simulation is an enlarged and updated version of the first. The principal differences between the two editions are the inclusion of a substantial amount of new material, both as additional chapters and within existing chapters, and a complete revision of all the software used in the case studies to reflect a more modern programming style. This style change is a consequence of the population shift in the research community. At the time the first edition was written older versions of the Fortran language were still in widespread use; despite this fact, C was chosen as the programming language for the book in preference to Fortran, but in a form that would appear familiar to Fortran programmers of the era. Now that C – and related languages – are in widespread use, and Fortran has even evolved to become more like C, the expressive capabilities of C can be employed to the full, resulting in software that is easier to follow. The power of desktop computers has also increased by a large factor since the case studies of the first edition were developed; in recognition of this fact some of the studies consider larger systems, reflecting a shifting view of what is considered a ‘short’ computation. Other minor changes and corrections have been incorporated throughout the text. The exhortation to employ this volume as a cookbook remains unchanged.

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Publisher: Cambridge University Press
Print publication year: 2004

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  • Preface to the second edition
  • D. C. Rapaport, Bar-Ilan University, Israel
  • Book: The Art of Molecular Dynamics Simulation
  • Online publication: 28 February 2011
  • Chapter DOI: https://doi.org/10.1017/CBO9780511816581.002
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  • Preface to the second edition
  • D. C. Rapaport, Bar-Ilan University, Israel
  • Book: The Art of Molecular Dynamics Simulation
  • Online publication: 28 February 2011
  • Chapter DOI: https://doi.org/10.1017/CBO9780511816581.002
Available formats
×

Save book to Google Drive

To save content items to your account, please confirm that you agree to abide by our usage policies. If this is the first time you use this feature, you will be asked to authorise Cambridge Core to connect with your account. Find out more about saving content to Google Drive.

  • Preface to the second edition
  • D. C. Rapaport, Bar-Ilan University, Israel
  • Book: The Art of Molecular Dynamics Simulation
  • Online publication: 28 February 2011
  • Chapter DOI: https://doi.org/10.1017/CBO9780511816581.002
Available formats
×