Contents

• Introduction
  • Biology Motivation
  
  
• Specific problem
  • Solution Strategy
  • Ewald
  • PME
  • Equations
  
  
• Background Research
• Results
  • Complementary Error Function
  • Cardinal B-Splines
  • Computing Ewald Energy
  • Tools Used
  
  
• Conclusions
• Acknowledgements
• Bibliography
• Appendix A: Code
  • Main Program
  • Read Input
  • Self Interaction Term
  • Real Space Term
  • Reciprocal Space Term
  
  
• Appendix B: Input Lattice
• Appendix C: Program Outputs
  • PME
  • Conventional Ewald
  
  
• About this document ...