Re: [phenixbb] refine occupancies for MET/MSE double conformations

|-Occupancies statistics------------------------------------------------------| Sorry: There are atoms with negative occupancies. Check input PDB file.

If it says this, that means there must be an atom or atoms with q<0 in your input PDB file.

refinement.refine.strategy=tls+individual_sites+individual_adp+group_anomalous

Note, this will NOT refine occupancies. To refine occupancies, you need to add "+occupancies" to the line above.

Any hints on how to proceed ?

Just add "+occupancies" and no need to give any selections. All the best! Pavel.