Hello RG Community I hope you're well:).
For the above topic I only need to optimize two-dihedral angles, can I therefore
only select Scan and Opt Torsion tabs and ignore the others i.e. Opt Charge etc.?
(My goal is to simulate a protein-ligand Complex via Gromacs and my ligand exhibited
only two penalized dihedral angles needing optimization before proceeding any further.)
Thanks if you know:) Joel