Day 5 Introduction to Molecular Dynamics¶

Basic Analysis of Molecular Dynamics Data¶

These exercises will introduce you to the basic techniques for analysing the output from a molecular dynamics (MD) simulation, in this case a simple Lennard-Jones (LJ) system. This will involve:

Firstly, access the working directory for this exercise:

~/WORKSHOP/Day_5/Basics

Then open the two notebooks Day5IntroMD.ipynb .