AD_LANGEVIN thermostat's TIMECON

86 views
Skip to first unread message

Václav Havel

unread,
May 24, 2021, 12:21:22 PM5/24/21
to cp2k
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
Reply all
Reply to author
Forward
0 new messages