[CP2K-user] AD_LANGEVIN thermostat's TIMECON

Václav Havel 10751... at qq.com
Mon May 24 16:21:21 UTC 2021

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Dear cp2k users,
Please forgive me if I am asking very general stupid questions.
I am trying to use Adaptive Buffered force QM-MM (AdBF-QM/MM) in cp2k. But 
I don't know how to set the value of TIMECON 
&AD_LANGEVIN
          TIMECON_LANGEVIN  ...
          TIMECON_NH  ...
  &END
Should I set different values and observe the printed temperature in energy 
file, then get two rational values? 
Thanks in advance for your help
Vaclav
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