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

[ganta.pra... at gmail.com]

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??

Regards,
Prasanth.

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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