I have just gotten familiarized with the different file types in GROMACS and how they relate to each other for different commands.
I’m wondering if the #include function that is in topol.top file has any restrictions.
If i want to run a protein-ligand MD simulation, i will need to include the ligand.itp in topol.top file.
Does this #include “ligand.itp” need to be placed at a specific position?
What is the rationale for this, if any?