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Marat Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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10:05:42 AM PDT - Tue, Oct 22nd 2013 |
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It will not print xyz coordinates when you do all region optimization. Given, typically, large size of the system in QM/MM runs the xyz option was only meant for region qm. You can always extract PDB file at the end of the run.
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