&GLOBAL
  PROJECT H2O-meta_hydro
  PRINT_LEVEL LOW
  PROGRAM CP2K 
  RUN_TYPE md 
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVT
    STEPS 5
    TIMESTEP 0.50
    TEMPERATURE 150
    &THERMOSTAT
      REGION MASSIVE
      &NOSE
        LENGTH     3
        YOSHIDA             3
        TIMECON  [wavenumber_t] 5000
        MTS        2
      &END NOSE
    &END
  &END MD
  &FREE_ENERGY
    METHOD METADYN
  &METADYN
    DO_HILLS T
    NT_HILLS 2
    WW .005
    TEMPERATURE 150.
    &METAVAR
      LAMBDA 1.2
      MASS 40.
      COLVAR 1
      SCALE .050
    &END METAVAR 
  &END METADYN
  &END FREE_ENERGY
&END MOTION
&FORCE_EVAL 
  METHOD QUICKSTEP
  &SUBSYS
    &CELL
      ABC 8.0 8.0 8.0
    &END CELL
    &COORD
 O        0.000000        0.000000        0.000000 
 H        0.120000        0.060000       -0.990000
 H       -0.960000       -0.250000        0.160000
 O        0.140000        2.389000        0.920000 
 H        0.480000        2.609000        1.790000
 H       -0.040000        3.269000        0.540000
 O       -2.450000       -0.590000        0.410000
 H       -2.874000       -0.061000        0.935000
 H       -2.760000       -1.480000        0.620000
 O       -0.140000        0.254000       -2.427000 
 H       -1.043000        0.354000       -2.615000
 H        0.252000        0.281000       -3.381000
 H        0.100000        0.930000        0.350000
    &END COORD
    &KIND O
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-BLYP-q6
    &END KIND
    &KIND H
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-BLYP-q1
    &END KIND
    &PRINT
      &ATOMIC_COORDINATES SILENT
      &END ATOMIC_COORDINATES
    &END PRINT
    &COLVAR
     &HYDRONIUM
      OXYGENS   1 4 7 10  
      HYDROGENS 2 3 5 6 8 9 11 12 13    
      ROO 5.5
      ROH 2.2
      NH  2.2
      PNH 8
      QNH 16
      PNO 8
      QNO 16
      LAMBDA 10.
     &END HYDRONIUM
    &END COLVAR
  &END SUBSYS
  &DFT
    BASIS_SET_FILE_NAME ../../../data/BASIS_SET
    POTENTIAL_FILE_NAME ../../../data/POTENTIAL
   CHARGE +1
   &MGRID
     CUTOFF 50
   &END MGRID
   &SCF
     SCF_GUESS          ATOMIC
     EPS_SCF 1.0E-3
     ADDED_MOS  50
   &END SCF
   &QS
   &END QS
   &XC
     &XC_FUNCTIONAL Pade
     &END XC_FUNCTIONAL
   &END XC
  &END DFT
&END FORCE_EVAL
