#CPQA DEPENDS nh3-meta-1.inp

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      parm_file_name ../sample_pot/nh3.pot
      parmtype CHM
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE spme
        ALPHA .44
        GMAX 30
        O_SPLINE 6
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 10.0 10.0 10.0
    &END CELL
    &TOPOLOGY
      CONN_FILE_NAME ../sample_psf/nh3.psf
      CONNECTIVITY UPSF
      COORD_FILE_NAME ../sample_pdb/nh3_1mol.pdb
      COORDINATE pdb
    &END TOPOLOGY
    &COLVAR
       &DISTANCE_POINT_PLANE
          ATOMS_PLANE 2 3 4
          ATOM_POINT 1
       &END DISTANCE_POINT_PLANE
    &END COLVAR
  &END SUBSYS
&END FORCE_EVAL

&GLOBAL

  PROJECT NH3-ref
  RUN_TYPE md
&END GLOBAL

&MOTION
  &MD
    ENSEMBLE REFTRAJ
    STEPS 51
    &REFTRAJ
      TRAJ_FILE_NAME NH3-pos-1.xyz
      EVAL_ENERGY_FORCES F
    &END
  &END MD
  &FREE_ENERGY
    &METADYN
      NT_HILLS 1
      &METAVAR
        SCALE 0.02
        COLVAR 1
      &END METAVAR
      &PRINT
        &COLVAR
         &EACH
           METADYNAMICS 1
         &END
        &END
        &HILLS OFF
        &END
      &END
    &END METADYN
  &END
&END MOTION

