Introduction to Molecular Dynamics on ARCHER
Dates: 29 June - 1 July 2015
Location: University of Strathclyde
Lecture Slides
Unless otherwise indicated all material is Copyright © EPCC, The University of Edinburgh, and is only made available for private study.
- Introduction (Day 1)
- Basic Principles of MD Theory
- Molecular Dynamics Calculations in NAMD
- Introduction (Day 2)
- Parallelisation and Scaling of NAMD
- DL_POLY Tutorial (Updated)
- Introduction (Day 3)
- Ab initio MD
Notes
- Instructions for running jobs on ARCHER
- ARCHER Quick Reference
- Introduction to MD (additional material)
Exercise Material
Unless otherwise indicated all material is Copyright © EPCC, The University of Edinburgh, and is only made available for private study.