From NWChem
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Just Got Here
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| 5:49:00 AM PDT - Wed, Sep 21st 2016 |
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Dear nwchem users:
I figured I would use the QM/MM capabilities in the PSPW module. I have read the handbook about this module. What is the embedding style for QM/MM, mechanical or electronic embeding? Why are there no charges of QM and MM atoms in exmaple in http://www.nwchem-sw.org/images/Ccl4-64water.nw? Can anyone give a answer for these question?
Thank you!
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