BioExcel Webinar #51: Multiscale QM/MM: exploring chemical reactions using GROMACS/CP2K interface
QM/MM with GROMACS+CP2K - Practical 3
QM/MM with GROMACS+CP2K - Practical 1
Autumn School (5/8) Introduction to multi-scale QM/MM simulations + Hands-on: CP2K-GROMACS
QM/MM with GROMACS+CP2K - CP2K parameters practical
QM/MM with GROMACS+CP2K - Practical 2
Practical introduction to QM/MM using CP2K for biomolecular modelling - Session 1
QM/MM with GROMACS+CP2K - Q&A 1
Using Novel Gromacs/CP2K Interface to Perform Multi-scale QM/MM Simulations
QM/MM with GROMACS+CP2K - Q&A 4 and wrapup
Practical introduction to QM/MM using CP2K for biomolecular modelling - Session 2
QM/MM with GROMACS+CP2K - Q&A 3
QM/MM with GROMACS+CP2K - Q&A 2
BioExcel Webinar #66: Efficient (GROMACS+)CP2K compute resource usage for biomolecular QM/MM
Perform Molecular Dynamics Using CP2K on Rescale
Computer Exercise: QM/MM MD and Umbrella Sampling
CP2K's Parallel Algorithms Overview, Joost VandeVondele (2009)
CP2K Tutorial: 1.0 CP2K installation, introduction (summary of different methods, linux)
ARCHER2: Introduction to CP2K - Day 2
Modelling Enzymes with QM/MM
Running many CP2K calculations in parallel with Parsl and ASE
BioExcel Webinar #65: QM/MM Simulation of Fluorescent Proteins and Proton Dynamics
BioExcel Webinar #61: What’s new in GROMACS 2022
Introduction to QM/MM - Part 3
ARCHER2: Introduction to CP2K - Day 1
