Chapter 29. Force Field Customization

  1. David C. Young

Published Online: 25 APR 2002

DOI: 10.1002/0471220655.ch29

Book Title

Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems

Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems

Additional Information

How to Cite

Young, D. C. (2002) Force Field Customization, in Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems, John Wiley & Sons, Inc., New York, USA. doi: 10.1002/0471220655.ch29

Author Information

  1. Cytoclonal Pharmaceutics Inc.

Publication History

  1. Published Online: 25 APR 2002
  2. Published Print: 21 FEB 2001

ISBN Information

Print ISBN: 9780471333685

Online ISBN: 9780471220657

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CHAPTER TOOLS

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Keywords:

  • force field;
  • molecular mechanics;
  • parameterization;
  • ab initio

Summary

Chapter 29 discusses force field customization. Potential pitfalls of some techniques are presented. Suggested steps for adding new parameters to existing force fields are given.

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