&GLOBAL
 PROJECT H2O_cs_intra_debug
 RUN_TYPE debug
 PRINT_LEVEL low
&END GLOBAL

&FORCE_EVAL
 METHOD FIST
 STRESS_TENSOR ANALYTICAL
 &MM
  &FORCEFIELD
   IGNORE_MISSING_CRITICAL_PARAMS yes
   &CHARGE
    ATOM HW04
    CHARGE 0.4
   &END CHARGE
   &SHELL O08
    CORE_CHARGE 1.25
    K2_SPRING [angstrom^-2*eV] 74.92
    SHELL_CHARGE -2.05
   &END SHELL
   &BOND
    ATOMS HW04 O08
    K [eV] 6.203713 [angstrom^-1] 2.22003
    KIND Morse
    R0 [angstrom] 0.92
   &END BOND
   &BEND
    ATOMS HW04 O08 HW04
    KIND Harmonic
    K [rad^-2kcalmol] 110.0
    THETA0 [deg] 104.52
   &END BEND
   &NONBONDED
    &BUCKMORSE
     ATOMS HW04 O2
     A1 0.0
     A2 0.0
     B1 [angstrom] 0.25
     B2 0.0
     BETA 0.0
     C 0.0
     D 0.0
     F0 [angstrom^-1*eV] 1247.88
     R0 0.0
     RCUT [angstrom] 12.0
    &END BUCKMORSE
    &BUCKMORSE
     ATOMS HW04 O08
     A1 0.0
     A2 0.0
     B1 [angstrom] 0.25
     B2 0.0
     BETA 0.0
     C 0.0
     D 0.0
     F0 [angstrom^-1*eV] 1585.08
     R0 0.0
     RCUT [angstrom] 12.0
    &END BUCKMORSE
    &LENNARD-JONES
     ATOMS O08 O08
     EPSILON [eV] 0.0113
     RCUT [angstrom] 12.0
     SIGMA [angstrom] 3.1262
    &END LENNARD-JONES
   &END NONBONDED
   &SPLINE
    EMAX_ACCURACY [hartree] 0.02
    EMAX_SPLINE [hartree] 1.0E4
    EPS_SPLINE [hartree] 1.0E-7
    R0_NB [angstrom] 0.1
   &END SPLINE
  &END FORCEFIELD
  &POISSON
   &EWALD
    EWALD_TYPE spme
    ALPHA 0.3
    GMAX 64
    O_SPLINE 6
    RCUT 12.0
   &END EWALD
  &END POISSON
 &END MM
 &PRINT
  &FORCES on
  &END FORCES
 &END PRINT
 &SUBSYS
  &CELL
   ABC 25.0 25.0 25.0
  &END CELL
  &COORD
   O08       1.2029334001        0.1494430960        0.3036868564 H2O 1
   HW04      1.1676119556        0.9765445237        0.7107609366 H2O 1
   HW04      1.2981222093        0.3654570902       -0.5853067397 H2O 1
   O08       1.2266545974        3.3141085089        0.1132627091 H2O 2
   HW04      0.4971928597        3.8718588865        0.0369535581 H2O 2
   HW04      1.9403144600        3.8917876756        0.1901927378 H2O 2
  &END COORD
  &PRINT
   &TOPOLOGY_INFO
    GENERATE_INFO
   &END TOPOLOGY_INFO
  &END PRINT
  &TOPOLOGY
   CONN_FILE_FORMAT generate
  &END TOPOLOGY
 &END SUBSYS
&END FORCE_EVAL
