How to do Gromacs Protein Ligand MD Simulation in Windows Part 1
Channel: Pymol Biomolecules
Date: 2024-04-05

How to perform protein ligand complex molecular dynamics simulation using gromacs in windows. For this Molecular dynamics simulation Ubuntu or Windows subsystem or Linux 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 create protein topology. We have used charmm36 forcefield for the protein topology part. Cgenff for the ligand topology part. Gromacs is the computationl chemistry tool for the molecular dynamics simulation.