DL_POLY

Below is a list of tutorial exercises that have been written for a range of users of DL_POLY. They are categorized into 3 levels of ‘Difficulty’: Low, Medium and High. They are written as exercises rather than walkthroughs and require input from you.

• Low Difficulty Exercises
  • Fast Ion Conduction
  • Potassium Capture by Valinomycin
  • MD Algorithms and the Properties of Water
• Medium Difficulty Exercises
  • Anisotropic constant pressure MD
  • The Potential of Mean Force for \(H_2O-K^+\)
  • Diffusion in Zeolites
  • Structure and Dynamics of Argon
  • Absorption of formic acid onto a calcite surface
  • Parameterising DPD interactions using Flory-Huggins solution theory
  • Lipid bilayers and micelles with DPD
• High Difficulty Exercises
  • A Carbon Nanoswitch