&GLOBAL
  PROJECT 2H2O_meta_welltemp
  PREFERRED_FFT_LIBRARY FFTW
  PRINT_LEVEL LOW
  RUN_TYPE MD
&END GLOBAL
&MOTION
  &FREE_ENERGY
    &METADYN
      DO_HILLS
      NT_HILLS 2
      WW 0.0001
      &METAVAR
        SCALE 0.0003
        COLVAR 1
      &END METAVAR
      &METAVAR
        SCALE 0.03
        COLVAR 2
      &END METAVAR
      &PRINT
        &COLVAR
           FILENAME __STD_OUT__
           COMMON_ITERATION_LEVELS 3
        &END
        &HILLS
           FILENAME __STD_OUT__
           COMMON_ITERATION_LEVELS 3
        &END
      &END
    &END METADYN
  &END FREE_ENERGY
  &MD
    ENSEMBLE NVE
    STEPS 5
    TEMPERATURE 100.0
    TEMP_TOL      1.0
    TIMESTEP      0.5
  &END MD
&END MOTION
&FORCE_EVAL
  METHOD QUICKSTEP
  &DFT
    BASIS_SET_FILE_NAME ../../../data/BASIS_SET
    POTENTIAL_FILE_NAME ../../../data/POTENTIAL
    &MGRID
      CUTOFF 80
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-10
      EXTRAPOLATION ASPC
      EXTRAPOLATION_ORDER 0
      MAP_CONSISTENT
    &END QS
    &SCF
      EPS_SCF 5.0E-3
      MAX_SCF 4
    &END SCF
    &XC
      &XC_FUNCTIONAL BLYP
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 8.0 8.0 8.0
    &END CELL
    &COORD
O  -1.5065         0.0            0.0
H  -0.56369324319  0.09909298318  0.0
H  -1.86242602118  0.87217009089  0.0
O   1.5065         0.0            0.0
H   1.82344868827 -0.46989575426  0.75490231761
H   1.82344868827 -0.46989575426 -0.75490231761
    &END COORD
    &KIND H
      BASIS_SET DZVP-GTH-BLYP
      POTENTIAL GTH-BLYP-q1
      MASS 2.0
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH-BLYP
      POTENTIAL GTH-BLYP-q6
    &END KIND
    &PRINT
      &CELL
      &END CELL
      &KINDS
      &END KINDS
    &END PRINT
    &COLVAR
       &U
       &END U
    &END COLVAR
    &COLVAR
       &COORDINATION
         KINDS_FROM O
         KINDS_TO   O
         R0 6.61404143748
         EXPON_NUMERATOR 3
         EXPON_DENOMINATOR 6
       &END COORDINATION
    &END COLVAR
  &END SUBSYS
&END FORCE_EVAL
