DL_POLY Tutorial

Welcome to the DL_POLY tutorial main portal. If you are new to DL_POLY or you wish to refresh your memory, you have come to the right place. The contents have been extracted from DL_POLY lecture slides given in DL_Software training workshops, but modified for an online self-learning experience.

Table of contents:

• What is DL_POLY
• Structures and operations
• DL_POLY basics and algorithms
  • Force field definitions
  • Boundary conditions
  • Parallelisations of DL_POLY
  • Ensembles and algorithms
• DL_POLY files
• Usability with other programs
  • Aten
  • VMD
  • OVITO
  • DL_FIELD and DL_ANALYSER

23. Smith, C.W. Yong and P.M. Rodger, ‘DL_POLY: Application to molecular simulation’, Mol. Sim. 28, 385-471 (2002)