Tinker9 User Manual

Contents

• Introduction
• Installation
  • Prerequisites
  • Download the Canonical Tinker
  • Build Tinker9 with CMake
• Tutorials
  • Common File Types
  • Command Line GUI
  • Program: analyze
  • Program: minimize
  • Program: dynamic
• Features & Methods
  • Valence Potential Functions
  • Van der Waals Potential Functions
  • Integrators and Ensembles
• Electrostatics
  • Permanent Multipole
  • Induced Dipole
  • Quasi-Internal Frame
• Keywords
  • Valence Potentials
  • Constraints & Restraints
  • HIPPO Force Field
  • Molecular Dynamics and Ensembles
  • Free Energy
  • Parallelization
  • Mathematical Algorithms

References

• References

Index

• Index Page

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Introduction