[CP2K-user] [CP2K:20125] Ghost atom in AIMD

[Johnson Lam]

Dear cp2k users,

I am trying to perform AIMD of ferrocene in vacuum. I added a ghost atom in 
the centre of the benzene and connected it to the Fe atom; the coordination 
of the ghost atom is (8.68, 13.71, 10.92). But throughout the MD process, 
except the first configuration in the trajectory file, the ghost atom is at 
the position of (0,0,0). I tried to fix the ghost atom using "FIXED_ATOMS" 
and "COLVAR/DISTANCE" to constrain the, but it failed. Does some have idea 
to that to fix the ghost atom in the center of the benzene?


Regards,
Jay

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