[CP2K-user] How to constrain z position of a molecule in cp2k when doing metadynamics?

hon...@gmail.com hongxi... at gmail.com
Mon Jul 19 01:39:28 UTC 2021

Dear cp2k users,

I am trying to simulate a slab system, and would like to constrain one 
molecule at the interfacial region. Would that be possible to constrain the 
z position of a molecule in some range and do metadynamics? By doing that, 
would the free energy be changed because of the constaint? If that is 
possible, Could some one provide me the input doing that? 

Thanks in advance!

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