TRAPPE N2 and DREIDING/UFF IRMOF1#Header
CUTOFF 12 #cutoff in A
UNITS K 
NCONFIGS 1 #number of configuration boxes in the CONFIG file
ATOMTYPES 9 #number of unique atoms in the simulation
N core 14 -0.482
M core 0 0.964
Zn core 65.38 1.147
O\_Zn core 16 -1.30
O core 16 -0.63
C\_OO core 12 0.72 #carbonyl carbon
C\_COO core 12 -0.071 #C-COO carbon
C core 12 -0.102 #CH carbon
H core 1 0.118
MOLTYPES 2 #number of unique molecules in the sim
IRMOF1
MAXATOM 424
Nitrogen
ATOMS 3 3
N core 0 0 -0.55
M core 0 0 0 #name and cartesian coordinates
N core 0 0 0.55
RIGID
EXCLUDE
FINISH
VDW 8 
N core N core +lj 36.0 3.310
N core Zn core +lj 47.37 3.037
N core O\_Zn core +lj 32.95 3.405
N core O core +lj 41.62 3.358
N core C\_OO core +lj 41.488 3.604
N core C\_COO core +lj 41.488 3.604
N core C core +lj 41.488 3.604
N core H core +lj 16.584 2.253
CLOSE
