2 ! Number of atoms
H 32.065 4.007 200.3020 2.00 0.000000 0.000000 -0.239227
!Atom atomicweight e(lj parameter) sigma(lj parameter) chrage x y z
O 65.409 2.680 111.7262 -2.0 0.000000 0.000000 1.799227
! Atom atomicweight e(lj parameter) sigma(lj parameter) chrage x y z
1 ! Number of types of bonds
1 299.4923 2.0811 ! Bond-type Bond-force-constant Bond-distance
1 ! Number of bonds
1 1 2 ! type-of-bond atom-numbers-inbeween-a-bond-exists
=================================================
0 ! Number of types of angle(For this section also we will do like bonds)
=================================================
0 ! Numer of dihedrals (For this section also we will do like bonds)
=================================================
0 ! Numer of Impropers (For this section also we will do like bonds)
=================================================
H 32.065 4.007 200.3020 2.00 0.000000 0.000000 -0.239227
!Atom atomicweight e(lj parameter) sigma(lj parameter) chrage x y z
O 65.409 2.680 111.7262 -2.0 0.000000 0.000000 1.799227
! Atom atomicweight e(lj parameter) sigma(lj parameter) chrage x y z
1 ! Number of types of bonds
1 299.4923 2.0811 ! Bond-type Bond-force-constant Bond-distance
1 ! Number of bonds
1 1 2 ! type-of-bond atom-numbers-inbeween-a-bond-exists
=================================================
0 ! Number of types of angle(For this section also we will do like bonds)
=================================================
0 ! Numer of dihedrals (For this section also we will do like bonds)
=================================================
0 ! Numer of Impropers (For this section also we will do like bonds)
=================================================
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