&GLOBAL
  PRINT_LEVEL LOW
  PROGRAM CP2K
  PROJECT G96_ei_scale
  RUN_TYPE md
&END GLOBAL

&MOTION
  &CONSTRAINT
    &G3X3
      ATOMS 1 2 3
      DISTANCES 1.8897 1.8897 3.0859
      MOLECULE 2
    &END G3X3
  &END CONSTRAINT
  &MD
    ENSEMBLE NVT
    STEPS 100
    TEMPERATURE 298
    TIMESTEP 0.5
    &THERMOSTAT
      &NOSE
        TIMECON 10
      &END NOSE
    &END THERMOSTAT
  &END MD
  &PRINT
    &RESTART OFF
    &END RESTART
    &RESTART_HISTORY OFF
    &END RESTART_HISTORY
    &TRAJECTORY OFF
    &END TRAJECTORY
    &VELOCITIES OFF
    &END VELOCITIES
  &END PRINT
&END MOTION

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      EI_SCALE14 0.5
      PARMTYPE G96
      PARM_FILE_NAME ala-wat.gtop
      VDW_SCALE14 1.0
      &SPLINE
        RCUT_NB 7.0
      &END SPLINE
    &END FORCEFIELD
    &POISSON
      &EWALD
        ALPHA .4
        EWALD_TYPE spme
        GMAX 27
        O_SPLINE 4
        #EWALD_TYPE PME
        #ALPHA .4
        #NS_MAX 25
      &END EWALD
    &END POISSON
    &PRINT
      #&FF_INFO
      #  SPLINE_INFO
      #&END
    &END PRINT
  &END MM
  &SUBSYS
    &CELL
      ABC 15.0 15.0 15.0
    &END CELL
    &PRINT
      &TOPOLOGY_INFO
        #GTOP_INFO
        #G96_INFO
      &END TOPOLOGY_INFO
    &END PRINT
    &TOPOLOGY
      CONNECTIVITY G96
      CONN_FILE ala-wat.gtop
      COORDINATE G96
      COORD_FILE ala-wat.g96
      #PARA_RES F
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
