I have some questions to ask for clarification on my CYP3A4 MD modelling which has 2 Ligands (Z9Z and HEM) compared to HSP90 which has only one in the Template I am using.
Using both ligands amd only HEM for hydrated Ligands it gave me errors but when I use Z9Z to get my Hydrated Ligand no error was seen.
Is it right way to go using one Ligand to generate the Hydrated Ligand?
Thanks