LAMMPS data file. msi2lmp v3.9.7 / 24 Oct 2015 / CGCMM for ethane-oplsaa

      8 atoms
      7 bonds
     12 angles
      9 dihedrals
      0 impropers

   2 atom types
   2 bond types
   2 angle types
   1 dihedral types

    -5.000000000     5.000000000 xlo xhi
    -5.000000000     5.000000000 ylo yhi
    -5.000000000     5.000000000 zlo zhi

Masses

   1  12.011150 # CT
   2   1.007970 # HC

Pair Coeffs # lj/cut/coul/long

   1   0.0659999660   3.5000001502 # CT
   2   0.0300002576   2.4999982005 # HC

Bond Coeffs # harmonic

   1   268.0000     1.5290 # CT-CT
   2   340.0000     1.0900 # CT-HC

Angle Coeffs # harmonic

   1    37.5000   110.7000 # CT-CT-HC
   2    33.0000   107.8000 # HC-CT-HC

Dihedral Coeffs # opls

   1     0.0000     0.0000     0.3180     0.0000 # HC-CT-CT-HC

Atoms # full

      1      1   1 -0.180000     4.462910000    -4.851670000     4.999590000   0   1  -1 # CT
      2      1   1 -0.180000    -4.034510000    -4.920070000    -4.999750000   1   1   0 # CT
      3      1   2  0.060000     4.099550000    -3.945520000     4.497500000   0   1  -1 # HC
      4      1   2  0.060000     4.020330000     4.288350000     4.480160000   0   0  -1 # HC
      5      1   2  0.060000     4.057610000    -4.843320000    -3.980190000   0   1   0 # HC
      6      1   2  0.060000    -3.590020000    -4.055120000    -4.490510000   1   1   0 # HC
      7      1   2  0.060000    -3.670120000     4.179410000    -4.488110000   1   0   0 # HC
      8      1   2  0.060000    -3.629390000    -4.938620000     3.980150000   1   1  -1 # HC

Bonds

     1   1      1      2
     2   2      1      3
     3   2      1      4
     4   2      1      5
     5   2      2      6
     6   2      2      7
     7   2      2      8

Angles

     1   1      2      1      3
     2   1      2      1      4
     3   1      2      1      5
     4   2      3      1      4
     5   2      3      1      5
     6   2      4      1      5
     7   1      1      2      6
     8   1      1      2      7
     9   1      1      2      8
    10   2      6      2      7
    11   2      6      2      8
    12   2      7      2      8

Dihedrals

     1   1      3      1      2      6
     2   1      3      1      2      7
     3   1      3      1      2      8
     4   1      4      1      2      6
     5   1      4      1      2      7
     6   1      4      1      2      8
     7   1      5      1      2      6
     8   1      5      1      2      7
     9   1      5      1      2      8