[CP2K-user] [CP2K:21816] Stride in cp2k graph.psmp plot

[Mawuli]

Hi,

When using the stride -10 option to obtain Free Energy Surface (FES) data, 
should the energy values in the final stride file (e.g., fes.dat40) match 
those in the overall fes.dat file?

In my results, the values in fes.dat40 differ from those in the full 
fes.dat. I would appreciate clarification on how the stride parameter 
influences the FES output, and how the final stride-specific file relates 
to the cumulative FES data in the main output.

graph.psmp -cp2k -file pj1-1.restart -stride 10 -ndim 3 -ndw 1 -out fes.dat

Thank you
Mawuli

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