sptiwari/Gromacs_Simulation_Non_Bio_Guide

Beginner Tutorial 1: Molecular Dynamics Simulations of Simple Non-Biological (Inorganic) Molecular Systems Using Gromacs

This tutorial focuses on creating force field parameters for TAEA amine, followed by its molecular dynamics simulation along with various other molecules such as water, CO2 and N2 molecules using Gromacs.

Tutorial 2: Molecular Dynamics Simulations of PIM-1-AO Polymer Using Gromacs

This tutorial focuses on setting up polymer simulations.

Details for both the tutorials are provided in the README files located in respective folders.