LAMMPS data file. CGCMM style. atom_style full generated by VMD/TopoTools v1.1 on Sat Oct 22 17:48:43 BST 2016. Original generated with Packmol 40 atoms 32 bonds 48 angles 0 dihedrals 0 impropers 2 atom types 1 bond types 1 angle types 0 dihedral types 0 improper types -0.499095 8.410905 xlo xhi -0.270629 8.639371 ylo yhi 0.131683 9.041683 zlo zhi # Pair Coeffs # # 1 CT # 2 HC # Bond Coeffs # # 1 CT-HC # Angle Coeffs # # 1 HC-CT-HC Masses 1 12.011000 # CT 2 1.008000 # HC Atoms 1 1 1 -0.240000 3.937038 0.677603 7.362249 # CT 2 1 2 0.060000 4.193022 1.709034 7.595834 # HC 3 1 2 0.060000 2.905136 0.486052 7.649386 # HC 4 1 2 0.060000 4.596317 0.007308 7.909996 # HC 5 1 2 0.060000 4.053670 0.507989 6.293814 # HC 6 2 1 -0.240000 6.131801 2.711096 0.901469 # CT 7 2 2 0.060000 6.787439 1.886720 0.628555 # HC 8 2 2 0.060000 5.728610 3.167652 -0.000171 # HC 9 2 2 0.060000 6.696346 3.453106 1.462433 # HC 10 2 2 0.060000 5.314820 2.336948 1.515051 # HC 11 3 1 -0.240000 5.723143 6.225007 1.430856 # CT 12 3 2 0.060000 5.585279 6.712817 2.393651 # HC 13 3 2 0.060000 5.584847 6.951755 0.632938 # HC 14 3 2 0.060000 4.994507 5.424203 1.322354 # HC 15 3 2 0.060000 6.727906 5.811248 1.374455 # HC 16 4 1 -0.240000 5.573754 5.038579 4.999124 # CT 17 4 2 0.060000 4.512787 5.184293 5.191620 # HC 18 4 2 0.060000 6.006150 5.966299 4.629893 # HC 19 4 2 0.060000 5.703088 4.256326 4.253924 # HC 20 4 2 0.060000 6.073008 4.747398 5.921016 # HC 21 5 1 -0.240000 2.108870 2.623461 3.348534 # CT 22 5 2 0.060000 2.886488 2.470897 2.602897 # HC 23 5 2 0.060000 1.382727 3.341833 2.973541 # HC 24 5 2 0.060000 2.554989 3.003606 4.265288 # HC 25 5 2 0.060000 1.611274 1.677549 3.552431 # HC 26 6 1 -0.240000 6.106165 2.015183 5.526875 # CT 27 6 2 0.060000 6.075817 2.038391 4.439456 # HC 28 6 2 0.060000 6.076127 0.982573 5.868599 # HC 29 6 2 0.060000 5.248943 2.554122 5.925227 # HC 30 6 2 0.060000 7.023739 2.485633 5.874240 # HC 31 7 1 -0.240000 0.644265 2.699668 7.212713 # CT 32 7 2 0.060000 0.403413 2.521819 6.166625 # HC 33 7 2 0.060000 0.098429 1.993976 7.835627 # HC 34 7 2 0.060000 0.361861 3.715309 7.482326 # HC 35 7 2 0.060000 1.713326 2.567585 7.366300 # HC 36 8 1 -0.240000 0.588072 6.428183 7.473536 # CT 37 8 2 0.060000 0.540903 6.363141 6.388417 # HC 38 8 2 0.060000 -0.008121 5.629967 7.910991 # HC 39 8 2 0.060000 0.197701 7.391140 7.796481 # HC 40 8 2 0.060000 1.621770 6.328495 7.798280 # HC Bonds 1 1 1 3 2 1 1 5 3 1 1 2 4 1 1 4 5 1 6 7 6 1 6 9 7 1 6 8 8 1 6 10 9 1 11 14 10 1 11 13 11 1 11 12 12 1 11 15 13 1 16 17 14 1 16 18 15 1 16 19 16 1 16 20 17 1 21 22 18 1 21 24 19 1 21 25 20 1 21 23 21 1 26 27 22 1 26 28 23 1 26 29 24 1 26 30 25 1 31 33 26 1 31 32 27 1 31 34 28 1 31 35 29 1 36 38 30 1 36 37 31 1 36 39 32 1 36 40 Angles 1 1 3 1 5 2 1 2 1 3 3 1 3 1 4 4 1 2 1 5 5 1 4 1 5 6 1 2 1 4 7 1 7 6 9 8 1 7 6 8 9 1 7 6 10 10 1 8 6 9 11 1 9 6 10 12 1 8 6 10 13 1 13 11 14 14 1 12 11 14 15 1 14 11 15 16 1 12 11 13 17 1 13 11 15 18 1 12 11 15 19 1 17 16 18 20 1 17 16 19 21 1 17 16 20 22 1 18 16 19 23 1 18 16 20 24 1 19 16 20 25 1 22 21 24 26 1 22 21 25 27 1 22 21 23 28 1 24 21 25 29 1 23 21 24 30 1 23 21 25 31 1 27 26 28 32 1 27 26 29 33 1 27 26 30 34 1 28 26 29 35 1 28 26 30 36 1 29 26 30 37 1 32 31 33 38 1 33 31 34 39 1 33 31 35 40 1 32 31 34 41 1 32 31 35 42 1 34 31 35 43 1 37 36 38 44 1 38 36 39 45 1 38 36 40 46 1 37 36 39 47 1 37 36 40 48 1 39 36 40