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II. Programme GRIN
- Table of Contents
- 5. Introduction to programme GRIN
- 6. User guide to programme GRIN
- 7. Programme modes
- 8. Extended Atoms
- 9. ATOMS and HETATMS in the same molecule
- 10. Protein Data Bank input
- 11. Datafile GRUB
- 12. Nomenclature of ATOMs and HETATMs
- 13. Energy variables
- 14. Hydrogen bonds
- 15. Hydrogen bonds
- 16. Computing the hydrophobic energies
- 17. "Types" of metal cation
- 18. Flexible target atoms
- 19. Electrostatic charges in Target molecules
- 20. Directives for programme GRIN
- 21. Output from programme GRIN
- 22. Messages from GRIN at run time
- 23. Parameter statements in programme GRIN
- 24. Editing Files
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| Programme GREAT | Introduction to programme GRIN |