&GLOBAL
  PROJECT ethene_colv1_growth
  RUN_TYPE md
&END GLOBAL

&MOTION
  &CONSTRAINT
    SHAKE_TOLERANCE 1.0E-4
    &COLLECTIVE
      COLVAR 1
      MOLECULE 1
      TARGET 2.093
      TARGET_GROWTH [rad*fs^-1] 0.01
    &END COLLECTIVE
    &COLLECTIVE
      COLVAR 2
      MOLECULE 1
      TARGET 2.093
      TARGET_GROWTH [rad*fs^-1] -0.01
    &END COLLECTIVE
  &END CONSTRAINT
  &MD
    ENSEMBLE NVE
    STEPS 50
    TEMPERATURE 500
    TIMESTEP 0.5
  &END MD
&END MOTION

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      PARMTYPE CHM
      PARM_FILE_NAME ../sample_pot/charmm.pot
      &BEND
        ATOMS HE2 CE2 HE2
        K 0.0
        THETA0 [deg] 120.0
      &END BEND
      &CHARGE
        ATOM CE2
        CHARGE -0.42
      &END CHARGE
      &CHARGE
        ATOM HE2
        CHARGE 0.21
      &END CHARGE
    &END FORCEFIELD
    &POISSON
      &EWALD
        ALPHA .44
        EWALD_TYPE spme
        GMAX 24
        O_SPLINE 6
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 24.955 24.955 24.955
    &END CELL
    &COLVAR
      &ANGLE
        ATOMS 6 2 4
      &END ANGLE
    &END COLVAR
    &COLVAR
      &ANGLE
        ATOMS 5 1 3
      &END ANGLE
    &END COLVAR
    &TOPOLOGY
      COORDINATE pdb
      COORD_FILE_NAME ../sample_pdb/ethene.pdb
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
