[CP2K-user] Transformative AIMD trajectory examples

Tue Boesen aly... at gmail.com
Fri May 28 23:42:13 UTC 2021

I'm looking for an example input file for an AIMD simulation where 
something is actually transforming (so not just water molecules happily 
bouncing around).
I have been looking for days, and going through most of the exercises on 
the cp2k forum, but haven't found anything like it.

The simulation should be somewhat realistic, but doesn't have to be the 
most accurate, since I don't have a cluster to run it on.

Any help or pointers would be greatly appreciated.

Kind Regards
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