[CP2K-user] [CP2K:21786] Need help regarding well tempered meta-dynamics in cp2k
Kaustubh Pathak
kaustubhpathak936 at gmail.com
Sun Aug 31 09:54:07 UTC 2025
Hello, I am trying to break the methane molecule in the Mo2C+KCl molten
system.
I have assigned two collective variables one C-H coordination number and
other H-Surface atom coordination number. The metadynamics simulation is
running but I am not able to interpret it. I am attaching the input and
output metadynlog log please explain the output values and corresponding
zeros. And for each step a new file is generated and I need one file like
energies which store all step information.
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