Tutorial Coarse-Graining

Programming, Best western hotel, Nierstein, 2023

A hands-on programming tutorial at the IRTG school introducing coarse-grained molecular modelling — how to build reduced-resolution models, run simulations, and analyse the resulting trajectories.

Topics covered: motivation for coarse-graining; mapping schemes and effective interactions; setting up and running coarse-grained simulations; basic trajectory analysis in Python.