[CP2K-user] [CP2K:17229] How to find MEP from metadynamics output?

[Robert]

Dear all,

I ran a metadynamics simulation. I first used graph.popt to find minimas 
using following command - 

*graph.popt -ndim 2 -ndw 1 2 -file NVT-1.restart -find-minima -cp2k*

Then I used find-path to get a minimum energy path b/w to minima points 
using below command - 

*graph.popt -ndim 2 -ndw 1 2 -file NVT-1.restart -find-path -point-a 
0.036040 2.551971 -point-b 0.827633 1.72122 -mep-iter 100000 -mep-nreplica 
12 -cp2k*

However, I notice mep doesn't converge in max-iterations. I increased 
max-interations from 10000 to 100000, but it always run all the iterations. 
Can anyone guide me with finding correct MEP from metadynamics? I have 
attached my NVT-1.restart and fes.dat output metadynamics files. 

Thanks ,
Robert

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