After docking of a small ligand to a protein, I am interested in simulating the protein-ligand complex in amber. However, I donot know how to use the information in the dlg file. Any help in this regard would be highly appreciated.
I believe the easiest way is to use the autodock tools to create the protein-ligand complex as a pdb file. Then, do the steps to convert the pdb as an amber readable file
Open the dlg file in Autodock and select Analyze - > conformation - > play, rank by energy.
Conformation window will display the binding energy , ligand efficiency etc.,,, Select the complex with low binding energy and select "Write complex" (.pdb format)....you can visualize the final complex pdb file in any visualization tool (Discovery Studio) ....