Hello <br>        I am new to phenix. I am tring to refine the occupancies using the phenix.refine gui. In the refinement settings- refinement  strategy : occupancies , when I define the groups for individual atoms as chain A and resseq 1:200 (for protein atoms) and a ligand group in constrained  as chain B and resseq 1:10 and  chain C and resseq 1:10, the refinement fails with several errors. The refinement runs fine when I do not touch the &quot;occupancies&quot; panel on the gui.<br>
How do I refine in Phenix the occupancies defining as well as partitioning the molecule as individual, groups and coupled groups?<br><br>Thanks in advance,<br>Amit <br><br clear="all"><br>-- <br>AMIT DAS, <br>PROTEIN CRYSTALLOGRAPHY SECTION, <br>
SOLID STATE PHYSICS DIVISION, <br>BARC, TROMBAY, <br>MUMBAI-400085.<br>INDIA.<br>Alt <a href="mailto:E-mail%3Aamitdas@barc.gov.in">E-mail:amitdas@barc.gov.in</a><br>PHONE:+91-22-25594688/4063<br>FAX:+91-22-25505151<br>