Force fields and bond constraints for for CO2 in a zeolite (use EPM2 for VDW)
CUTOFF 12.0
UNITS kcal
NCONFIGS 1
ATOMS 5
Si core 28 2.4
O_ core 16 -1.2
C_ core 12 0.6512
O_C core 16 -0.3256
Xe core 1 0.0
MOLTYPES 2
zeolite
MAXATOM 584
co2
ATOMS 3 3
C_ core  0.00000000 0.0000000 0.0000000
O_C core 1.16300000 0.0000000 0.0000000
O_C core -1.16300000 0.0000000 0.0000000
BONDS 3
    1    2    1
    1    3    1
    2    3    2
FINISH
VDW       6
O_ core       C_ core       lj    0.094566874 2.892
O_ core       O_C core      lj    0.15998351 3.033
C_ core       C_ core       lj    0.055892323 2.757
C_ core       O_C core      lj    0.094566874 2.892
O_C core      O_C core      lj    0.15998351 3.033
O_C core      Xe core      12-6   16777216 0.0
BONDS 2
C_ core O_C core buck 0.0 0.1 0.0
O_C core O_C core buck 0.0 0.1 0.0
CLOSE
