[QMMM] H trapped in QM atoms when the QM region has negative charge (ECOUPL GAUSS)

ganta.pra... at gmail.com ganta.pra... at gmail.com
Mon Jun 18 12:54:36 UTC 2018

Dear Xiaohui, 

I also face similar issue. When I test using pure water there is no issue, 
but when I test with my QM molecules, I face this issue. Did you find any 
solution to this problem??


On Monday, January 22, 2018 at 9:24:39 AM UTC+1, Xiaohui Yang wrote:
> Hi all,
> Could you please give me some suggestions about this "electron spill out" 
> problem?
> Many thanks!
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