18 October 2023 1 7K Report

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 

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