| 8:40:29 AM PST - Tue, Dec 19th 2017 |
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Seems to be just an issue of system size
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Additional information: I tried it out for different systems now, for which NWChem can handle up to 5 (smaller) chains, but not more. Therefore, it seems to be an issue of the size of the system.
Is there a maximum number of atoms that can be handled with this QM/MM code? It would be quite low then (around 1000). I can't believe this is the reason.
Does anyone know something about this?
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