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

Linda Sundarti linda... at
Sun Jun 14 05:17:07 UTC 2015

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.


Institut Teknologi Sepuluh Nopember Surabaya-Indonesia
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <>

More information about the CP2K-user mailing list