From NWChem
You are viewing a single post from the thread title above
|
|
|
Just Got Here
Threads 1
Posts 1
|
|
| 5:49:00 AM PDT - Wed, Sep 21st 2016 |
|
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!
|
|
|
AWC's:
2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC
