[CP2K-user] [CP2K:21140] metadynamics energy convergence
'SAURABH SINGH' via cp2k
cp2k at googlegroups.com
Wed Feb 12 12:01:43 UTC 2025
Hii
I am facing a problem in metadynamics study
I am using normal metadynamics.
In my case I am getting the multiple recrossing, but my energy is not
converging
I am using wall height 1 kcal/mol and sigma as 0.3
Is it indicating issues with CV?
I will be very grateful if you can give some valuable insights
Thank you
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