I had prepared protein topology in Gromacs using Amber 99 Sb forcefield. The ligand topologies are prepared using antechamber, i got .gro file and .itp file . What are the modifications that can i do in topology file for further steps of MD simulation in Gromacs
User Changed status to publish November 23, 2024
Hi,
Please see the following tutorial:
Tutorial: MD Simulation of a Protein-Ligand Complex using GROMACS
User Changed status to publish November 23, 2024