How to make proton transport to the molecule membran in CP2K ( input file)

[Linda Sundarti]

Hallo Everybody,


I have a problem to make model and MD input file for my case "make proton 
transport to the molecule membran" by cp2k, then I plan use VMD to make visualization 
of that simulation.
I have been try to make MD simulation of my case, but I still get mode 
vibration motion. Whereas, my goal is making proton can transport in 
membran by jumping or diffuse mechanism.
  
Anybody, please suggest me how to make  model or MD input file or RUN_TYPE 
for result that case.

Thankyou.


Cheers,
Linda
Institut Teknologi Sepuluh Nopember Surabaya-Indonesia
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