&FORCE_EVAL
  METHOD FIST
#  STRESS_TENSOR ANALYTICAL
  &MM
    &PRINT
       &FF_INFO ON
       &END FF_INFO
    &END PRINT
    &FORCEFIELD
       &CHARGE
          ATOM    Si
          CHARGE  +4.0
       &END CHARGE
       &BOND
          ATOMS Si O
          K         0.00
          KIND      HARMONIC
          R0    1.0
          # Just a fake bond term
       &END BOND
       &BEND
          ATOMS O Si O
          K         0.07707
          KIND      HARMONIC
          THETA0    1.91061
        ## Si-O-Si  0.07707  1.91061  0.0-1.8/0.0-1.8/0.0-3.2
       &END BEND
       ############################## shells ################3
       &SHELL  O
          MAX_DISTANCE   0.1
          CORE_CHARGE    0.87
          MASS_FRACTION  0.2
          SHELL_CHARGE  -2.87
          SPRING [eV*angstrom^-2]    74.92
       &END SHELL
       &NONBONDED
          &WILLIAMS
              ATOMS  Si O
              A [eV]            1283.90700
              B [angstrom^-1]      3.11993
              C [eV*angstrom^6]  10.66158
              RCUT 12.0
          ##V(r) = A*EXP(-B*r) - C / r^6 .
          ## Si-O  1283.90700  3.11993  10.66158
          &END WILLIAMS
          &WILLIAMS
            ATOMS  O O
              A [eV]            22764.00000
              B [angstrom^-1]       3.11993
              C [eV*angstrom^6]    27.87900
            RCUT 12.0
          ##V(r) = A*EXP(-B*r) - C / r^6 .
          ##Osi-Osi  22764.00000  3.11993  27.87900
          &END WILLIAMS
          &LENNARD-JONES
               ATOMS    Si Si
               EPSILON    0.0
               RCUT       1.0
               SIGMA       3.12619
          ## Lennard-Jones  e  rho(A)
          ## Ow-Ow  131.00029  3.12619  0.0-12.0
          &END LENNARD-JONES
       &END NONBONDED
       &SPLINE
          EMAX_SPLINE 1000.0
       &END  SPLINE
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE spme
        ALPHA .35
        GMAX 20
        O_SPLINE 6
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
   &CELL
     ABC 10 10 10
    &END CELL
    &TOPOLOGY
      COORD_FILE_NAME ../sample_xyz/sio2.xyz
      COORDINATE XYZ
      CONNECTIVITY PSF
      CONN_FILE_NAME  ../sample_psf/sio2.psf
      EXCLUDE_VDW 1-2
      EXCLUDE_EI  1-2
      &EXCLUDE_VDW_LIST
      &END
      &EXCLUDE_EI_LIST
      &END
    &END TOPOLOGY
    &PRINT
       &TOPOLOGY_INFO
          UTIL_INFO
       &END
    &END
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT 12_exvdw_12_exei_list_empty
  RUN_TYPE ENERGY
  PRINT_LEVEL LOW
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVT
    STEPS 1000
    TIMESTEP  0.1
    TEMPERATURE 300.0
    &SHELL
      TEMPERATURE 25.0
      TEMP_TOL    25.0
    &END
    &THERMOSTAT
      REGION MOLECULE
    TYPE NOSE
      &NOSE
        LENGTH 3
        YOSHIDA 3
        TIMECON 5
        MTS 2
      &END NOSE
   &END THERMOSTAT
   &BAROSTAT
      PRESSURE 1.0
      TIMECON 1000
   &END BAROSTAT
    &PRINT
      &PROGRAM_RUN_INFO
          &EACH
            MD 5
    &END EACH
      &END PROGRAM_RUN_INFO
     &ENERGY
          &EACH
            MD 5
    &END EACH
      &END ENERGY
     &END PRINT
  &END MD
  &PRINT
    &TRAJECTORY
      &EACH
       MD  1
       GEO_OPT 1
     &END EACH
    &END TRAJECTORY
    &VELOCITIES OFF
    &END VELOCITIES
    &CELL
     &EACH
       MD 10
     &END EACH
    &END CELL
    &RESTART_HISTORY
     &EACH
       MD 1000
     &END EACH
     &END RESTART_HISTORY
     &RESTART
     &EACH
       MD 1000
     &END EACH
     &END RESTART
     &SHELL_TRAJECTORY
      &EACH
        MD 1
      &END
    &END
    &SHELL_VELOCITIES OFF
    &END
    &END PRINT
&END MOTION
