Grottus mechanism

Dj MG ghada... at
Tue Jul 12 16:37:24 UTC 2016

Yeah i know and i have tried some exercise in cp2k website. Then i try 
running my molecule like file which i attached. But i have trouble in 
proton binding from my simulate. 

On Tuesday, July 12, 2016 at 10:19:40 PM UTC+7, Dj MG wrote:
> Hello cp2k lovers. 
> I have project which aims to simulate proton transfer through grottus 
> mechanism using aimd.
> I got a problem, why H atoms from H3O+ can't move to H2O?
> I attached my files below.
> Cheers Always
> ...
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