[CP2K:6707] Re: How to make proton transport to the molecule membran in CP2K ( input file)

Linda Sundarti linda... at gmail.com
Tue Jun 16 09:52:55 UTC 2015

Thank you Mr. Samuel for the answer

My MD run goal is make H+ or H3O+ can transport to that molecule. I draw my
model like that (picture attachment). I haev been try run MD, but I get
vibration motion, not H+ or H3O+ move close to the membran molecule.

big thanks,
On Jun 15, 2015 7:24 PM, "Samuel Andermatt" <
samuel.a... at student.ethz.ch> wrote:

> The runtype is md. Not sure if you can access the timescales needed. Your
> question is probably too general to be solved.
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