@SET INDEX 20
&GLOBAL
  PRINT_LEVEL LOW
  PROJECT c60_meta_lagr
  RUN_TYPE md
&END GLOBAL

&MOTION
  &FREE_ENERGY
    &METADYN
      DO_HILLS
      LAGRANGE
      LANGEVIN
      NT_HILLS 10
      TEMPERATURE 10000.
      WW 1.0e-2
      &METAVAR
        COLVAR 1
        GAMMA 0.004
        LAMBDA 0.1
        MASS 10.0
        SCALE 0.1
      &END METAVAR
      &METAVAR
        COLVAR 2
        GAMMA 0.004
        LAMBDA 0.1
        MASS 10.0
        SCALE 0.1
      &END METAVAR
      &PRINT
        &COLVAR
          COMMON_ITERATION_LEVELS 10
        &END COLVAR
        &HILLS
          COMMON_ITERATION_LEVELS 10
        &END HILLS
      &END PRINT
    &END METADYN
  &END FREE_ENERGY
  &MD
    ENSEMBLE NVT
    STEPS 100
    TEMPERATURE 300.0
    TIMESTEP 1.0
    &PRINT
      &ENERGY
        &EACH
          MD ${INDEX}
        &END EACH
      &END ENERGY
      &PROGRAM_RUN_INFO
        &EACH
          MD ${INDEX}
        &END EACH
      &END PROGRAM_RUN_INFO
    &END PRINT
    &THERMOSTAT
      TYPE CSVR
      &CSVR
        TIMECON 20.
      &END CSVR
    &END THERMOSTAT
  &END MD
  &PRINT
    &RESTART OFF
    &END RESTART
    &RESTART_HISTORY OFF
    &END RESTART_HISTORY
    &TRAJECTORY
      &EACH
        MD ${INDEX}
      &END EACH
    &END TRAJECTORY
    &VELOCITIES OFF
    &END VELOCITIES
  &END PRINT
&END MOTION

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      &NONBONDED
        &TERSOFF
          A 1.3936E3
          ALPHA 0.00
          ATOMS C C
          B 3.467E2
          BETA 1.5724E-7
          BIGD 0.15
          BIGR 1.95
          C 3.8049E4
          D 4.384
          H -5.7058E-1
          LAMBDA1 3.4879
          LAMBDA2 2.2119
          LAMBDA3 0.0000
          N 7.2751E-1
        &END TERSOFF
      &END NONBONDED
      &SPLINE
        EPS_SPLINE 1.E-6
      &END SPLINE
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE none
      &END EWALD
    &END POISSON
  &END MM
  &PRINT
    &PROGRAM_RUN_INFO
      &EACH
        MD ${INDEX}
      &END EACH
    &END PROGRAM_RUN_INFO
  &END PRINT
  &SUBSYS
    &CELL
      ABC 30. 30. 30.
    &END CELL
    # COLVARS
    &COLVAR
      &DISTANCE
        ATOMS 45 30
      &END DISTANCE
    &END COLVAR
    &COLVAR
      &DISTANCE
        ATOMS 31 2
      &END DISTANCE
    &END COLVAR
    &TOPOLOGY
      CONNECTIVITY OFF
      COORDINATE XYZ
      COORD_FILE_NAME ../sample_xyz/c60.xyz
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
