Welcome to the tutorials!

The goal of these tutorials is to help guide you in learning computational tools and programming. I am not the best programmer, and I am still learning, so I wanted to develop these tutorials to help others interested in learning how to use (mostly) open-source computational software. I plan to continuously add new tutorials, and I hope this helps you! Please reach out to me if you have any questions, comments, or suggestions.

This tutorial goes through using Openbabel to convert 1D and 2D molecular representations into 3D structures.

This tutorial uses energy groups in Gromacs and the "rerun" flag to recompute energies of groups within a completed simulation.