Tutorial Part 2 - Dealing with distance calculations and trajectories

Hosted by: @micaela-matta

This part is divided into 2 tutorials, which use the same dataset.

• During the first part (polymer properties), we use simple built-in functions to describe bonds/angles/dihedrals, calculate common polymer descriptors and learn how to do this over a trajectory.
• During the second part (hydrogen bonds), we explore the lib.distances functions and apply what we learned to find hydrogen bonds in our system.

For teachers: Here are incomplete notebooks that students can use to develop the code. The links above lead to the solutions

• incomplete student notebook polymer_properties.ipynb
• incomplete student notebook Hydrogen_bonds.ipynb