[CP2K-user] [CP2K:17036] Extract structure from metaD energy plot

[Pedro R. Figueiredo]

Dear all,

I have ran successfully a metadynamics simulation using the 
DISTANCE_FUNCTION colvar.
Then, I have plotted the fes.dat for that simulation but at the moment I 
need to extract a structure from the lowest energy points. The trajectory 
output seems to compile all saved structures but they are not ordered. How 
can I extract e.g., the exact structure for a specific colvar point of the 
graph?

Thank you in advance!

Pedro

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