@SET INDEX 1
&GLOBAL
  PROJECT c60_pl_pl_angl2_restr
  PRINT_LEVEL LOW
  RUN_TYPE md
&END GLOBAL
&MOTION
  &CONSTRAINT
     &COLLECTIVE
        COLVAR 1
        TARGET [deg] 10.0
        INTERMOLECULAR
        &RESTRAINT
          K [kcalmol] 10.0
        &END
     &END
  &END
  &MD
    ENSEMBLE NVT
    &THERMOSTAT
      TYPE CSVR
      &CSVR
        TIMECON 20.
      &END
    &END
    STEPS 200
    TIMESTEP 1.0
    TEMPERATURE 300.0
    &PRINT
      &PROGRAM_RUN_INFO
        &EACH 
          MD ${INDEX}
        &END
      &END
      &ENERGY
        &EACH 
          MD ${INDEX}
        &END
      &END ENERGY
    &END PRINT
  &END MD
  &PRINT
    &TRAJECTORY
      &EACH
        MD ${INDEX}
      &END
    &END TRAJECTORY
    &VELOCITIES OFF
    &END VELOCITIES
    &RESTART OFF
    &END RESTART
    &RESTART_HISTORY OFF
    &END RESTART_HISTORY
  &END PRINT
&END MOTION
&FORCE_EVAL
  &PRINT
    &PROGRAM_RUN_INFO
      &EACH 
        MD ${INDEX}
      &END
    &END
  &END
  METHOD FIST
  &MM
    &FORCEFIELD
      &SPLINE
       EPS_SPLINE 1.E-6
      &END
      &NONBONDED
        &TERSOFF
          ATOMS C  C 
          A        1.3936E3
          B        3.467E2
          lambda1  3.4879
          lambda2  2.2119
          alpha    0.00
          beta     1.5724E-7
          n        7.2751E-1
          c        3.8049E4
          d        4.384
          h       -5.7058E-1
          lambda3  0.0000
          bigR     1.95
          bigD     0.15
        &END TERSOFF
      &END NONBONDED
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE none
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC  30. 30. 30.
    &END CELL
    &TOPOLOGY
       COORDINATE XYZ
       COORD_FILE_NAME ../sample_xyz/c60.xyz
       CONNECTIVITY OFF
    &END TOPOLOGY
    # COLVARS
    &COLVAR
      &ANGLE_PLANE_PLANE
        &PLANE
          DEF_TYPE ATOMS
          ATOMS 2 4 5 
        &END
        &PLANE
          DEF_TYPE ATOMS
          ATOMS 32 34 35
        &END
      &END
    &END
  &END SUBSYS
&END FORCE_EVAL
