Lecture 5 2022, Molecular dynamics

This lecture introduces what molecular dynamics (MD) is, goes through the steps of installing, running, visualizing and analyzing your first MD simulation.

In order to  make sure you reach the learning goals of this week: complete the weekly exercises of week 35.

Lecture notes

Input file for Lammps, in.myfirstmd

Matlab scripts for reading the Lammps

Python scripts for reading the Lammps

 

 

Publisert 1. sep. 2022 09:18 - Sist endret 25. sep. 2022 13:02