Wrapup
Overview
Teaching: 5 min
Exercises: 0 minQuestions
What next?
Useful links
Post-course questionnaire
Objectives
Post-course questionnaire
The video for the course wrap-up can be found here. Note that this is the final five minutes of the previous Q&A session video.
Now that you have completed this course, please could you answer the post-course questionnaire.
Useful links
GROMACS version with interface to CP2K (version used on ARCHER2 for this course is 2021.1-plumed-qmmm branch), for installation instructions see INSTALL-dev
BioExcel CP2K QM/MM Best Practice Guide
BioExcel workshop: Best Practices in QM/MM Simulation of Biomolecular Systems
BioExcel workshop: Best Practices in QM/MM Simulation of Biomolecular Systems - YouTube playlist
AskBioExcel Forum - QM/MM section
Some CP2K QM/MM input file preparation scripts
NMA and DAA QM/MM tutorials adapted to CP2K
Using AmberTools to prepare for CP2K QM/MM
Key Points