# The expected energy for this input is -0.0273408731036.
&GLOBAL
  PROJECT ethanol_both_rcut10.0_e1-2_v1-1_RSG
  PRINT_LEVEL MEDIUM
  RUN_TYPE energy
&END GLOBAL
&FORCE_EVAL
  METHOD FIST
  &MM
   &FORCEFIELD
     &SPLINE
       EMAX_SPLINE 200.0
       EMAX_ACCURACY 100.0
       EPS_SPLINE 1.0E-8
       RCUT_NB 10.0
       R0_NB 0.8
       #UNIQUE_SPLINE T
     &END SPLINE
     &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
     &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
&CHARGE
ATOM O
CHARGE -0.4
&END CHARGE
&CHARGE
ATOM H
CHARGE 0.1
&END CHARGE
&CHARGE
ATOM C
CHARGE -0.1
&END CHARGE
     EI_SCALE14 1.0
     VDW_SCALE14 1.0
     SHIFT_CUTOFF T
&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
   &END FORCEFIELD
   &POISSON
     PERIODIC NONE
     POISSON_SOLVER ANALYTIC
     &EWALD
       EWALD_TYPE NONE
       ALPHA 0.3
       GMAX 25
       O_SPLINE 6
     &END EWALD
    &END POISSON
    &PRINT
      &NEIGHBOR_LISTS
        FILENAME __STD_OUT__
      &END NEIGHBOR_LISTS
      &FF_INFO
      &END FF_INFO
      &EWALD_INFO
      &END EWALD_INFO
    &END PRINT
  &END MM
   &SUBSYS
&KIND O
  MM_RADIUS 1.484924240491750
&END KIND
&KIND H
  MM_RADIUS 0.353553390593274
&END KIND
&KIND C
  MM_RADIUS 1.060660171779821
&END KIND
     &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
     &TOPOLOGY
       &GENERATE
         CREATE_MOLECULES T
       &END GENERATE
       EXCLUDE_EI 1-2
       EXCLUDE_VDW 1-1
     &END TOPOLOGY
   &END SUBSYS
 &END FORCE_EVAL
