QM region input


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test

Quote:Varnon Jun 10th 3:40 pm
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