So I am working on a membrane protein and I want to understand how a particular ligand binds to the binding pocket. So, I want to first do a random search to find the residues which are interacting with the ligand.
In the web-server, for the final refinement step, I would like to use DMSO as the solvent. In that case, what should I keep the value for Eelec?
Also what would be the recommended number of models that I should generate initially?
I would be grateful for the help.