How to do Gromacs Protein Ligand MD Simulation in Windows Part 3
Channel: Pymol Biomolecules
Date: 05/04/2024

How to perform protein ligand complex molecular dynamics simulation using gromacs in windows. For this Molecular dynamics simulation Ubuntu or Windows subsystem orLinux operating system is not necessary. In Previous video i have shown you how to install gromacs software in native Windows operating system. In this part we are going to see 
how to make periodic boundary conditions.
how to solvate the system 
how to add ions to the system 
how to do energy minimisation using steepest decent algorithm.
How to download mdp files for the simulations.
How to edit the topology topol.top file in windows notepad.
Gromacs is the computationl chemistry tool for the molecular dynamics simulation.