# The expected energy for this input is 0.00425472922907.
&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT ethanol_both_rcut10.0_e1-4_v1-4_R_G
  RUN_TYPE energy
&END GLOBAL

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      EI_SCALE14 1.0
      SHIFT_CUTOFF F
      VDW_SCALE14 1.0
      &BEND
        ATOMS C O H
        K 0.0
        THETA0 1.0
      &END BEND
      &BEND
        ATOMS O C H
        K 0.0
        THETA0 1.0
      &END BEND
      &BEND
        ATOMS C C H
        K 0.0
        THETA0 1.0
      &END BEND
      &BEND
        ATOMS C C O
        K 0.0
        THETA0 1.0
      &END BEND
      &BEND
        ATOMS H C H
        K 0.0
        THETA0 1.0
      &END BEND
      &BOND
        ATOMS C H
        K 0.0
        R0 1.0
      &END BOND
      &BOND
        ATOMS C C
        K 0.0
        R0 1.0
      &END BOND
      &BOND
        ATOMS C O
        K 0.0
        R0 1.0
      &END BOND
      &BOND
        ATOMS O H
        K 0.0
        R0 1.0
      &END BOND
      &CHARGE
        ATOM O
        CHARGE -0.4
      &END CHARGE
      &CHARGE
        ATOM H
        CHARGE 0.1
      &END CHARGE
      &CHARGE
        ATOM C
        CHARGE -0.1
      &END CHARGE
      &NONBONDED
        &GENPOT
          ATOMS H H
          FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
          PARAMETERS epsilon sigma
          VALUES 0.00380879917604 2.31204899506
          VARIABLES r
        &END GENPOT
        &GENPOT
          ATOMS C H
          FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
          PARAMETERS epsilon sigma
          VALUES 0.00932961451403 2.92956277419
          VARIABLES r
        &END GENPOT
        &GENPOT
          ATOMS C C
          FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
          PARAMETERS epsilon sigma
          VALUES 0.0228527950562 3.71200526729
          VARIABLES r
        &END GENPOT
        &GENPOT
          ATOMS O H
          FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
          PARAMETERS epsilon sigma
          VALUES 0.0107729109022 2.76596119741
          VARIABLES r
        &END GENPOT
        &GENPOT
          ATOMS O C
          FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
          PARAMETERS epsilon sigma
          VALUES 0.0263881347549 3.50470815112
          VARIABLES r
        &END GENPOT
        &GENPOT
          ATOMS O O
          FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
          PARAMETERS epsilon sigma
          VALUES 0.0304703934083 3.30898755256
          VARIABLES r
        &END GENPOT
      &END NONBONDED
      &NONBONDED14
        &GENPOT
          ATOMS H H
          FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
          PARAMETERS epsilon sigma
          VALUES 0.00380879917604 1.61843429654
          VARIABLES r
        &END GENPOT
        &GENPOT
          ATOMS C H
          FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
          PARAMETERS epsilon sigma
          VALUES 0.00932961451403 2.05069394193
          VARIABLES r
        &END GENPOT
        &GENPOT
          ATOMS C C
          FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
          PARAMETERS epsilon sigma
          VALUES 0.0228527950562 2.59840368711
          VARIABLES r
        &END GENPOT
        &GENPOT
          ATOMS O H
          FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
          PARAMETERS epsilon sigma
          VALUES 0.0107729109022 1.93617283818
          VARIABLES r
        &END GENPOT
        &GENPOT
          ATOMS O C
          FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
          PARAMETERS epsilon sigma
          VALUES 0.0263881347549 2.45329570578
          VARIABLES r
        &END GENPOT
        &GENPOT
          ATOMS O O
          FUNCTION 4*epsilon*((sigma/(r+sigma))**12 - (sigma/(r+sigma))**6)
          PARAMETERS epsilon sigma
          VALUES 0.0304703934083 2.31629128679
          VARIABLES r
        &END GENPOT
      &END NONBONDED14
      &SPLINE
        EMAX_ACCURACY 100.0
        EMAX_SPLINE 200.0
        EPS_SPLINE 1.0E-8
        R0_NB 0.8
        RCUT_NB 10.0
        #UNIQUE_SPLINE T
      &END SPLINE
    &END FORCEFIELD
    &POISSON
      PERIODIC NONE
      POISSON_SOLVER ANALYTIC
      &EWALD
        ALPHA 0.3
        EWALD_TYPE NONE
        GMAX 25
        O_SPLINE 6
      &END EWALD
    &END POISSON
    &PRINT
      &EWALD_INFO
      &END EWALD_INFO
      &FF_INFO
      &END FF_INFO
      &NEIGHBOR_LISTS
        FILENAME __STD_OUT__
      &END NEIGHBOR_LISTS
    &END PRINT
  &END MM
  &SUBSYS
    &CELL
      ABC 8.0 8.0 8.0
      PERIODIC NONE
    &END CELL
    &COORD
      C     -1.601187     1.908357     0.000095
      C     -0.071160     1.693609    -0.000569
      O      0.545930     2.985531     0.001638
      H     -2.126633     0.949947     0.000481
      H     -1.913125     2.468411     0.885351
      H     -1.913931     2.468140    -0.885049
      H      0.251446     1.147873    -0.889479
      H      0.251769     1.144685     0.886258
      H      1.501101     2.889364     0.001274
    &END COORD
    &KIND O
      MM_RADIUS 1.484924240491750
    &END KIND
    &KIND H
      MM_RADIUS 0.353553390593274
    &END KIND
    &KIND C
      MM_RADIUS 1.060660171779821
    &END KIND
    &TOPOLOGY
      EXCLUDE_EI 1-4
      EXCLUDE_VDW 1-4
      &GENERATE
        CREATE_MOLECULES T
      &END GENERATE
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
