9 Nov
                
                    2023
                
            
            
                9 Nov
                
                '23
                
            
            
            
        
    
                6:50 a.m.
            
        Hello everyone, I am refining a few structures via a bash script using constrained occupancy refinement by providing a parameter file. I am trying to model the occupancy of a ligand and the water molecules in its vicinity. This works generally well, but as soon as I switch on ordered_solvent=true, these water molecules are also filtered / updated and eventually removed. How can I avoid this ? That is specifically excluding a number of water molecules from being updated ? With best regards, Eike