&GLOBAL
  PROJECT ethanol_cg
  PRINT_LEVEL MEDIUM
  RUN_TYPE energy
&END GLOBAL
&FORCE_EVAL
  METHOD FIST
  &MM
   &FORCEFIELD
     &SPLINE
       EMAX_SPLINE 1.0
       RCUT_NB 80.00
     &END SPLINE
     &NONBONDED
       &LENNARD-JONES
         ATOMS      H H
         EPSILON    0.0
         SIGMA      1.0
       &END LENNARD-JONES
       &LENNARD-JONES
         ATOMS      H C
         EPSILON    0.0
         SIGMA      1.0
       &END LENNARD-JONES
       &LENNARD-JONES
         ATOMS      H N
         EPSILON    0.0
         SIGMA      1.0
       &END LENNARD-JONES
       &LENNARD-JONES
         ATOMS      H O
         EPSILON    0.0
         SIGMA      1.0
       &END LENNARD-JONES
       &LENNARD-JONES
         ATOMS      C C
         EPSILON    0.0
         SIGMA      1.0
       &END LENNARD-JONES
       &LENNARD-JONES
         ATOMS      C N
         EPSILON    0.0
         SIGMA      1.0
       &END LENNARD-JONES
       &LENNARD-JONES
         ATOMS      C O
         EPSILON    0.0
         SIGMA      1.0
       &END LENNARD-JONES
       &LENNARD-JONES
         ATOMS      N N
         EPSILON    0.0
         SIGMA      1.0
       &END LENNARD-JONES
       &LENNARD-JONES
         ATOMS      N O
         EPSILON    0.0
         SIGMA      1.0
       &END LENNARD-JONES
       &LENNARD-JONES
         ATOMS      O O
         EPSILON    0.0
         SIGMA      1.0
       &END LENNARD-JONES
     &END NONBONDED
     # parameters are complete rubbish, this is just a test
     &CHARGE
       ATOM H
       CHARGE 0.15
     &END CHARGE
     &CHARGE
       ATOM C
       CHARGE 0.0 #0.00757575757575757575
     &END CHARGE
     &CHARGE
       ATOM N
       CHARGE -0.3
     &END CHARGE
     &CHARGE
       ATOM O
       CHARGE -0.5
     &END CHARGE
     &DIPOLE
       ATOM H
       APOL 0.26
     &END DIPOLE
     &DIPOLE
       ATOM C
       APOL 0.26
     &END DIPOLE
     &DIPOLE
       ATOM N
       APOL 0.10
     &END DIPOLE
     &DIPOLE
       ATOM O
       APOL 0.22
     &END DIPOLE
   &END FORCEFIELD
   &POISSON
     PERIODIC NONE
     POISSON_SOLVER ANALYTIC
     &EWALD
       EWALD_TYPE EWALD
       ALPHA 0.3
       GMAX 25
       O_SPLINE 6
       &MULTIPOLES T
         MAX_MULTIPOLE_EXPANSION DIPOLE
         POL_SCF CONJUGATE_GRADIENT
         EPS_POL 1.0e-6
         MAX_IPOL_ITER 100
       &END MULTIPOLES
     &END EWALD
    &END POISSON
  &END MM
   &SUBSYS
     &CELL
       ABC 40.0 40.0 40.0
       PERIODIC NONE
     &END CELL
     &COORD
 H     -2.134027     0.421639    -0.021685
 O      1.104337    -0.329925    -0.000382
 C     -1.260295    -0.241283     0.000244
 C      0.021182     0.572065    -0.000169
 H      1.893041     0.194734     0.005734
 H     -1.323976    -0.904457    -0.872387
 H      0.072154     1.227787    -0.891747
 H     -1.343152    -0.872863     0.894426
 H      0.071795     1.228552     0.890830
     &END COORD
   &END SUBSYS
 &END FORCE_EVAL
