[CP2K-user] How to limit the size of QM region in adbf-QMMM simulation?

[Kalven Davis]

I am using ADBF-qmmm to simulate the interfacial reaction of carbonyl 
compounds. In the core region, a carbonyl compound and a hydrated ion are 
selected. Because the core region involves protons, with the continuous 
transfer of protons, the QM region becomes larger , and the amount of 
calculation is increasing.  I set the maximum number of atoms in QM area to 
200, but the calculation stopped midway with an error： add_new_label tried 
to add more atoms than allowed by  &FORCE_MIXING&MAX_N_QM！How can I limit 
the size of QM area?  Thank you for any possible help.    

FORCE_MIXING parameter：
    &FORCE_MIXING 
      R_CORE 0.0 0.0
      R_QM 3.0 3.5
      R_BUF 3.0 3.5
      QM_KIND_ELEMENT_MAPPING O O  !Mapping from elements to QM_KINDs for 
adaptively included atoms.
      QM_KIND_ELEMENT_MAPPING H H
      QM_KIND_ELEMENT_MAPPING C C
      QM_KIND_ELEMENT_MAPPING N N 
      MAX_N_QM  200
      MOMENTUM_CONSERVATION_TYPE  EQUAL_A
      MOMENTUM_CONSERVATION_REGION  QM
      QM_EXTENDED_SEED_IS_ONLY_CORE_LIST .TRUE.
    &END FORCE_MIXING
    &WALLS
      TYPE QUADRATIC
      WALL_SKIN 0.5 0.5 0.5
      K [kcalmol] 100.0
    &END WALLS
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