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   tinker

TINKER

Software Tools for Molecular Design

Version 4.1

June 2003

Copyright (c) 1990-2003 by Jay William Ponder

All Rights Reserved


User's Guide Cover Illustration by Jay Nelson
Courtesy of Prof. R. T. Paine, Univ. of New Mexico

TINKER IS PROVIDED "AS IS" AND WITHOUT ANY WARRANTY EXPRESS OR IMPLIED. THE USER ASSUMES ALL RISKS OF USING THIS SOFTWARE. THERE IS NO CLAIM OF THE MERCHANTABILITY OR FITNESS FOR A PARTICULAR PURPOSE.

YOU MAY MAKE COPIES OF TINKER FOR YOUR OWN USE, AND MODIFY THOSE COPIES. YOU MAY NOT DISTRIBUTE ANY MODIFIED SOURCE CODE OR DOCUMENTATION TO USERS AT ANY SITE OTHER THAN YOUR OWN.

v3.8 10/00

Table of Contents

  1. Introduction to the TINKER Package
  2. Installing TINKER on your Computer
  3. Types of Input & Output Files
  4. Potential Energy Programs
  5. Structure Manipulation Programs
  6. Force Field Parameter Sets
  7. Use of the Keyword Control File
  8. Notes on Special Features & Methods
  9. Descriptions of TINKER Routines
  10. Contents of Common Block Variables
  11. Index of Function & Subroutine Calls
  12. Examples using the TINKER Package
  13. Benchmark Results
  14. Collaborators & Acknowledgments
  15. References & Suggested Reading



© Goodman Group, 2005-2017; privacy; last updated November 16, 2017

department of chemistry University of Cambridge