[CP2K-user] [CP2K:17118] metadynamics for H2, wrong curve

[Laura Bonometti]

Hi everyone,

I was trying to simulate the H2 dissociation with metadynamics in CP2K so I 
set up the input attached below (h2_noconstrained.inp). (In this input the 
number of steps is set to 10000, but then I increased them up to 20000 from 
the restart file). Then, I integrated the gaussians with graph.popt and for 
the first 9000 steps the curve was okay, but then new unexpected minima 
appeared (see figure).
Is there something wrong in my input? 

Thank you,
Laura

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