[CP2K-user] How to set up the reflective walls for QMMM when force mixing is active?

[Kalven Davis]

Dear Experts/cp2k users ,  
I am tring to do an adbf-QMMM simulation. When I activate "force mixing” 
keyword in QMMM section, the task can continue to run. However, when I open 
the output file, I find a lot of warning message: WARNING in 
qmmm_util.F:135 : Reflective walls for QM/MM are not implemented (or 
useful) when force mixing is active. At the same time, trajectory analysis 
also found that the two molecules in the selected core region gradually 
moved away from each other. So I added another keyword （&WALLS）in the qmmm 
section. But the task gives the error information directly：A floating point 
type object was expected, found end of the line, File: 'mol_solv-opt.inp', 
Line: 41, Column: 2, Chunk: < >    input/cp_parser_methods.F:1186.  I don't 
know if I need to add other keywords to match this keyword （&WALLS）？In 
addition, what is the specific meaning of this keyword？
Thank you for any possible help.  

INPUT：
  &QMMM
    &CELL        !QM box size
      ABC [angstrom] 20.0  20.0  25.0 
      PERIODIC XY
    &END CELL
    ECOUPL COULOMB  !type of QM/MM elect. coupling
    &QM_KIND O
      MM_INDEX 803 
    &END QM_KIND
    &QM_KIND H
      MM_INDEX 804 
    &END QM_KIND    
    &QM_KIND Cl
      MM_INDEX 805
    &END QM_KIND    
    &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 Cl Cl 
      MOMENTUM_CONSERVATION_TYPE  EQUAL_A
      MOMENTUM_CONSERVATION_REGION  QM
    &END FORCE_MIXING
&WALLS 
              TYPE REFLECTIVE
              WALL_SKIN 0.5
        &END WALLS 
  &END QMMM

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