Parameters to generate the topology:

[KAO-KI]

[pablo-arantes]

Hi @KAO-KI,

This is issue is on topology generation. The tleap is not able to create your topology for your protein/ligand structure. Can you please double-check your ligand PDB? Please, compare with examples PDB that we have here in GitHub (https://github.com/pablo-arantes/making-it-rain/tree/main/PROTEIN_LIGAND) for the protein ligand notebook.

I hope it helps.

Thank you.

Best,

Pablo

[KAO-KI]

Good morning sir, Ok sir, I will check it. Thank you very much. Yours sincerely.