[CP2K-user] [CP2K:17549] Metadynamic simulation, initial state disappeared

Meili Liu meililiu1024 at gmail.com
Thu Aug 25 16:25:41 UTC 2022


Dear all,

I am using coordination number as collect variable (CN1, CN2) to run Well-T 
Metadynamics simulation with CP2K. 0-16ps simulation looks fine. However, 
as the simulation time goes, the initial state disappeared.(Showed in 
picture 1.) Why it will happened to disapper and how to understand this 
situation?

Thanks in advance.

Best
Meili

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