How to make AIMD simulation for proton transition (NVT)

[Linda Sundarti]

Dear cp2k expert,

I'm newbi user cp2k, I get the problem with my MD simulation. 
I have run MD simulation to get proton conductivity or proton transition in 
hydrated membrane, but I get some problems which are the proton can not 
move (translation motion was not occur), just vibration motion that 
occured. On the other hand, the tempertaur becomes increase high, whereas I 
used ensemble NVT. I make condition in the constant temperature, number of 
particle and volume. 

>From my problem, is there any mistake in my input file so I don't get the 
transition of proton and the constant of temperature?
 Is there specific keyword in input file in MD simulation to get it? 
I hope anybody can help me to make it clear and better. My goal simulation 
is make transition of proton and the constant of temperature, number of 
particle and volume. I attach my input and output file below.

Any suggestions are appreciate. Thank you.


Regards,
Linda


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