QM region input

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8:40:58 AM PDT - Tue, Jun 10th 2014
Yes, the position of the columns are fixed. Check here how to do a proper PDB http://nwchemgit.github.io/index.php/QMMM_Appendix and here an example of PDB with the proper format nwchemgit.github.io/images/N3o3.pdb