QM region input
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12:35:26 PM PDT - Tue, Jun 10th 2014
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