By Prasanna Kulkarni

This Guide will be helpful if you want to do what took me endless nights to do all this without any guidance. Navigating these trenches alone. And trust me. ITS REWARDING IF YOU WANNA GO THAT WAY. But costs you a lot of mental space.

Table of Contents

Note

1. This is just a practical guide to get things started. The Theoretical Insights and the interpretations can be accessed here.
2. Molecule/Structure/Compound/System, will be used interchangeably and all of them mean the same thing: The thing you are working with.

What are we doing?

Simple answer:

We are predicting and explaining how atoms interact based on energy, orbitals, and electrostatic fields.

This is not Molecular Dynamics. That thing is different.

Why are we doing this?

To understand how supramolecular chemistry works. Meaning, the molecules held together by **SECONDARY FORCES.**

Here, I will be guiding you to install and run some simulations

What will be required?

Simple.