Two questions about METADYNamics

William Tao ywta... at
Fri Jul 27 12:19:12 UTC 2018

Dear CP2K community,

I am now running meta-dynamics simulations for a quite small system (<10 

I have two questions concerning the meta-dynamics.

1. If I run two meta-dynamics simulations, where only the temperature is 
different (one high and the other low), should we expect two different free 
energy profile? Especially the barrier height.

2. I found in one tutorial to use "graph" program to obtain the FES data by 
using ".restart" file. What information is contained in such a ".restart" 
file that can be used to calculate the free energy profile?

Thank you.

Best regards,

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