[CP2K-user] [CP2K:17306] Metadynamics in CP2K

Meili Liu meililiu1024 at gmail.com
Tue Jul 12 16:11:25 UTC 2022

Dear CP2K users

I am using Metadynamics to research the adsorption of one O atom on the 
surface of metal. I plan to use x-axis of O atom as CV1 and y-axis of same 
O atom as CV2. 

I am wondering how to  set up the position (instead of distance) 
of &COLVAR. and how to  set up the WALL to constrain the O atom within a 
certain small region on the metal surface.  

Please let us know if any advices, and many thanks in advance!

University of Miami

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