LAMMPS data file with capsid model 288 atoms 4 atom types 216 bonds 3 bond types 144 angles 1 angle types -8 8 xlo xhi -8 8 ylo yhi -8 8 zlo zhi Masses 1 1.0 2 1.1.728 3 2.744 4 1.0 Pair Coeffs # lj/cut 1 1 1 1.1225 2 1 1.35 4 3 1 2.1 4 4 1 1 1.1225 PairIJ Coeffs # lj/cut 1 1 1 1 1.1225 1 2 1 1.175 1.31894 1 3 1 1.55 1.73988 1 4 1 1 1.1225 2 2 1 1.35 4 2 3 1 1.725 1.93631 2 4 1 1.175 1.31894 3 3 1 2.1 4 3 4 1 1.55 1.73988 4 4 1 1 1.1225 Bond Coeffs # harmonic 1 50 0.659469 2 50 0.855906 3 50 0.659469 Atoms 1 1 1 -0.701084 3.93343 0.19124 2 1 2 -0.816669 4.58193 0.222769 3 1 3 -0.966685 5.42359 0.263689 4 1 4 -1.08227 6.07209 0.295219 5 2 1 0.0618129 0.850751 3.90799 6 2 2 0.0720038 0.991012 4.55229 7 2 3 0.0852304 1.17305 5.38851 8 2 4 0.0954213 1.31331 6.03281 9 3 1 3.30064 -0.413296 -2.22148 10 3 2 3.8448 -0.481435 -2.58773 11 3 3 4.55106 -0.569871 -3.06307 12 3 4 5.09523 -0.638009 -3.42932 13 4 1 -1.59122 -1.3139 -3.42661 14 4 2 -1.85356 -1.53052 -3.99155 15 4 3 -2.19405 -1.81166 -4.72477 16 4 4 -2.45639 -2.02828 -5.2897 17 5 1 -3.9047 -0.80606 -0.32184 18 5 2 -4.54846 -0.938953 -0.374901 19 5 3 -5.38397 -1.11143 -0.443767 20 5 4 -6.02773 -1.24432 -0.496828 21 6 1 1.01166 3.7639 -0.899789 22 6 2 1.17845 4.38444 -1.04813 23 6 3 1.39492 5.18983 -1.24067 24 6 4 1.56171 5.81037 -1.38901 25 7 1 -1.05538 3.74967 -0.908937 26 7 2 -1.22938 4.36786 -1.05879 27 7 3 -1.45521 5.1702 -1.25328 28 7 4 -1.62921 5.7884 -1.40314 29 8 1 -1.51588 -2.46782 2.75898 30 8 2 -1.76579 -2.87469 3.21385 31 8 3 -2.09016 -3.40274 3.8042 32 8 4 -2.34007 -3.8096 4.25907 33 9 1 -2.25141 0.367776 3.28571 34 9 2 -2.62259 0.42841 3.82742 35 9 3 -3.10434 0.507105 4.53048 36 9 4 -3.47552 0.56774 5.07219 37 10 1 1.67684 1.52227 3.2971 38 10 2 1.9533 1.77324 3.84069 39 10 3 2.31211 2.09897 4.54619 40 10 4 2.58856 2.34994 5.08978 41 11 1 -3.25052 2.13047 -0.94615 42 11 2 -3.78643 2.48171 -1.10214 43 11 3 -4.48196 2.93758 -1.30459 44 11 4 -5.01787 3.28883 -1.46058 45 12 1 0.0676891 -0.567005 3.95903 46 12 2 0.0788488 -0.660486 4.61174 47 12 3 0.0933327 -0.781812 5.45888 48 12 4 0.104492 -0.875292 6.1116 49 13 1 1.59585 -1.27299 3.43988 50 13 2 1.85895 -1.48286 4.007 51 13 3 2.20043 -1.75525 4.74306 52 13 4 2.46353 -1.96512 5.31018 53 14 1 -1.40854 2.22169 -3.01332 54 14 2 -1.64076 2.58797 -3.51012 55 14 3 -1.94215 3.06336 -4.1549 56 14 4 -2.17438 3.42964 -4.6517 57 15 1 1.7153 -2.87555 -2.18838 58 15 2 1.99809 -3.34963 -2.54917 59 15 3 2.36513 -3.96493 -3.01743 60 15 4 2.64792 -4.43901 -3.37822 61 16 1 -2.22107 -2.07058 -2.60376 62 16 2 -2.58725 -2.41195 -3.03303 63 16 3 -3.06251 -2.85501 -3.59017 64 16 4 -3.42869 -3.19638 -4.01945 65 17 1 2.2192 1.29232 -3.06677 66 17 2 2.58507 1.50538 -3.57238 67 17 3 3.05993 1.7819 -4.2286 68 17 4 3.4258 1.99496 -4.73421 69 18 1 -2.03962 2.69954 -2.13364 70 18 2 -2.37588 3.14461 -2.48541 71 18 3 -2.81231 3.72225 -2.94196 72 18 4 -3.14858 4.16731 -3.29373 73 19 1 -3.49737 -0.254473 1.92449 74 19 2 -4.07397 -0.296428 2.24178 75 19 3 -4.82232 -0.350879 2.65357 76 19 4 -5.39892 -0.392833 2.97086 77 20 1 3.50808 -1.84615 0.533931 78 20 2 4.08645 -2.15052 0.621959 79 20 3 4.8371 -2.54555 0.736207 80 20 4 5.41547 -2.84992 0.824235 81 21 1 -0.325119 3.30809 2.22505 82 21 2 -0.378721 3.85349 2.59188 83 21 3 -0.448289 4.56134 3.06799 84 21 4 -0.50189 5.10674 3.43483 85 22 1 0.662812 0.0220505 -3.94464 86 22 2 0.772088 0.0256859 -4.59498 87 22 3 0.913914 0.0304042 -5.43904 88 22 4 1.02319 0.0340396 -6.08939 89 23 1 3.23422 -1.85295 -1.45135 90 23 2 3.76744 -2.15844 -1.69062 91 23 3 4.45949 -2.55492 -2.00118 92 23 4 4.9927 -2.86041 -2.24046 93 24 1 -3.96042 -0.0236549 0.560805 94 24 2 -4.61337 -0.0275549 0.653263 95 24 3 -5.4608 -0.0326165 0.773262 96 24 4 -6.11375 -0.0365164 0.865721 97 25 1 -0.68153 -3.49389 -1.82434 98 25 2 -0.793892 -4.06992 -2.12512 99 25 3 -0.939723 -4.81753 -2.51548 100 25 4 -1.05208 -5.39356 -2.81626 101 26 1 0.487017 3.94319 0.462684 102 26 2 0.56731 4.59329 0.538966 103 26 3 0.671521 5.43704 0.63797 104 26 4 0.751814 6.08714 0.714251 105 27 1 3.01581 -0.475516 2.58434 106 27 2 3.51301 -0.553913 3.01041 107 27 3 4.15833 -0.655663 3.5634 108 27 4 4.65553 -0.73406 3.98947 109 28 1 -0.782228 -0.526685 -3.88725 110 28 2 -0.911192 -0.613518 -4.52813 111 28 3 -1.07857 -0.726216 -5.35991 112 28 4 -1.20753 -0.813049 -6.00079 113 29 1 -2.59565 -0.97452 2.88321 114 29 2 -3.02359 -1.13519 3.35856 115 29 3 -3.579 -1.34371 3.97549 116 29 4 -4.00694 -1.50438 4.45084 117 30 1 1.7976 -0.409766 -3.54975 118 30 2 2.09396 -0.477322 -4.13499 119 30 3 2.4786 -0.565003 -4.89455 120 30 4 2.77497 -0.63256 -5.47979 121 31 1 1.32145 -3.66441 -0.908779 122 31 2 1.53931 -4.26855 -1.05861 123 31 3 1.82207 -5.05265 -1.25306 124 31 4 2.03993 -5.65679 -1.40289 125 32 1 0.541532 2.8122 2.79254 126 32 2 0.630813 3.27584 3.25294 127 32 3 0.746688 3.87758 3.85048 128 32 4 0.835969 4.34122 4.31088 129 33 1 0.85239 -2.98497 2.52257 130 33 2 0.992921 -3.4771 2.93846 131 33 3 1.17531 -4.11581 3.47823 132 33 4 1.31584 -4.60794 3.89412 133 34 1 2.3452 3.20727 0.46198 134 34 2 2.73185 3.73605 0.538145 135 34 3 3.23366 4.42233 0.636998 136 34 4 3.62031 4.9511 0.713164 137 35 1 -0.487077 -3.85764 0.938818 138 35 2 -0.56738 -4.49364 1.0936 139 35 3 -0.671604 -5.31908 1.29448 140 35 4 -0.751907 -5.95508 1.44926 141 36 1 2.5761 1.56047 2.63223 142 36 2 3.00081 1.81774 3.0662 143 36 3 3.55204 2.15164 3.62944 144 36 4 3.97675 2.40892 4.06341 145 37 1 1.1532 -1.61546 -3.47281 146 37 2 1.34333 -1.8818 -4.04536 147 37 3 1.59008 -2.22747 -4.78846 148 37 4 1.78021 -2.49381 -5.36101 149 38 1 3.80441 1.23346 -0.0709251 150 38 2 4.43164 1.43681 -0.0826184 151 38 3 5.24569 1.70074 -0.0977947 152 38 4 5.87291 1.9041 -0.109488 153 39 1 -0.831367 -1.75837 3.49528 154 39 2 -0.968432 -2.04827 4.07153 155 39 3 -1.14632 -2.42452 4.81944 156 39 4 -1.28339 -2.71442 5.39569 157 40 1 -3.35775 -2.00673 -0.835774 158 40 2 -3.91134 -2.33757 -0.973565 159 40 3 -4.62982 -2.76697 -1.1524 160 40 4 -5.1834 -3.09781 -1.29019 161 41 1 -2.20432 1.30999 -3.07 162 41 2 -2.56774 1.52596 -3.57614 163 41 3 -3.03942 1.80627 -4.23305 164 41 4 -3.40284 2.02224 -4.73919 165 42 1 1.09288 -3.66612 1.16842 166 42 2 1.27306 -4.27054 1.36105 167 42 3 1.50691 -5.055 1.61106 168 42 4 1.68709 -5.65943 1.8037 169 43 1 -3.07386 0.781288 2.43741 170 43 2 -3.58064 0.910097 2.83926 171 43 3 -4.23837 1.07727 3.36081 172 43 4 -4.74515 1.20608 3.76266 173 44 1 -3.15076 -2.10328 1.28411 174 44 2 -3.67021 -2.45004 1.49582 175 44 3 -4.3444 -2.90009 1.77059 176 44 4 -4.86386 -3.24686 1.9823 177 45 1 1.83257 3.15105 -1.64698 178 45 2 2.1347 3.67056 -1.91852 179 45 3 2.52683 4.34481 -2.27093 180 45 4 2.82896 4.86431 -2.54247 181 46 1 3.03229 2.44072 0.920939 182 46 2 3.53221 2.84312 1.07277 183 46 3 4.18105 3.36537 1.26983 184 46 4 4.68097 3.76777 1.42166 185 47 1 -0.685148 -2.46174 -3.0774 186 47 2 -0.798106 -2.8676 -3.58476 187 47 3 -0.944712 -3.39436 -4.24326 188 47 4 -1.05767 -3.80022 -4.75062 189 48 1 1.86019 2.48267 2.52509 190 48 2 2.16687 2.89198 2.94139 191 48 3 2.5649 3.42321 3.4817 192 48 4 2.87159 3.83252 3.898 193 49 1 3.92074 -0.28145 -0.740678 194 49 2 4.56714 -0.327852 -0.862792 195 49 3 5.40608 -0.388076 -1.02128 196 49 4 6.05249 -0.434478 -1.14339 197 50 1 -2.4331 -3.17132 -0.150833 198 50 2 -2.83424 -3.69417 -0.1757 199 50 3 -3.35486 -4.37276 -0.207975 200 50 4 -3.756 -4.8956 -0.232842 201 51 1 -2.9946 1.69085 -2.04289 202 51 2 -3.48831 1.96961 -2.3797 203 51 3 -4.12908 2.33142 -2.81683 204 51 4 -4.62279 2.61018 -3.15364 205 52 1 0.954769 3.56359 1.54571 206 52 2 1.11218 4.15111 1.80055 207 52 3 1.31648 4.91364 2.13129 208 52 4 1.47389 5.50116 2.38613 209 53 1 -0.000383688 3.35883 -2.17216 210 53 2 -0.000446945 3.91259 -2.53028 211 53 3 -0.000529046 4.6313 -2.99507 212 53 4 -0.000592303 5.18506 -3.35318 213 54 1 -1.13409 2.01537 3.26376 214 54 2 -1.32106 2.34763 3.80185 215 54 3 -1.56373 2.77887 4.50022 216 54 4 -1.7507 3.11114 5.03831 217 55 1 -0.18323 1.16707 -3.82157 218 55 2 -0.213438 1.35949 -4.45162 219 55 3 -0.252645 1.60921 -5.26934 220 55 4 -0.282854 1.80162 -5.89939 221 56 1 -3.16152 -1.58871 -1.86569 222 56 2 -3.68275 -1.85063 -2.17328 223 56 3 -4.35924 -2.19058 -2.57249 224 56 4 -4.88048 -2.4525 -2.88008 225 57 1 0.32697 -3.16727 -2.42105 226 57 2 0.380876 -3.68945 -2.82021 227 57 3 0.45084 -4.36717 -3.33825 228 57 4 0.504746 -4.88935 -3.73741 229 58 1 -2.57648 2.36979 1.93542 230 58 2 -3.00126 2.76049 2.25451 231 58 3 -3.55256 3.26756 2.66865 232 58 4 -3.97734 3.65826 2.98773 233 59 1 -1.84228 -3.2137 1.50934 234 59 2 -2.14601 -3.74354 1.75819 235 59 3 -2.54021 -4.4312 2.08115 236 59 4 -2.84394 -4.96103 2.32999 237 60 1 2.06726 -2.51456 2.32453 238 60 2 2.40808 -2.92913 2.70777 239 60 3 2.85043 -3.46718 3.20516 240 60 4 3.19125 -3.88175 3.5884 241 61 1 3.30924 -1.38831 1.76679 242 61 2 3.85482 -1.6172 2.05807 243 61 3 4.56292 -1.91427 2.43612 244 61 4 5.10851 -2.14315 2.72741 245 62 1 0.0662913 -3.53779 1.86538 246 62 2 0.0772206 -4.12106 2.17292 247 62 3 0.0914054 -4.87806 2.57206 248 62 4 0.102335 -5.46133 2.8796 249 63 1 -0.984186 3.66087 1.27648 250 63 2 -1.14645 4.26443 1.48693 251 63 3 -1.35704 5.04777 1.76007 252 63 4 -1.5193 5.65133 1.97052 253 64 1 -2.57041 2.98875 -0.678513 254 64 2 -2.99419 3.48149 -0.790377 255 64 3 -3.54419 4.12102 -0.935563 256 64 4 -3.96797 4.61376 -1.04743 257 65 1 -0.127433 -3.91751 -0.798032 258 65 2 -0.148443 -4.56338 -0.929602 259 65 3 -0.175711 -5.40164 -1.10036 260 65 4 -0.19672 -6.04751 -1.23193 261 66 1 -3.68506 0.947699 1.23377 262 66 2 -4.29261 1.10394 1.43718 263 66 3 -5.08112 1.30673 1.70118 264 66 4 -5.68867 1.46297 1.90459 265 67 1 -2.16602 -2.87045 -1.75181 266 67 2 -2.52313 -3.3437 -2.04062 267 67 3 -2.98661 -3.95791 -2.41547 268 67 4 -3.34371 -4.43115 -2.70429 269 68 1 -0.969111 0.140347 3.87829 270 68 2 -1.12889 0.163486 4.51769 271 68 3 -1.33625 0.193517 5.34755 272 68 4 -1.49603 0.216656 5.98696 273 69 1 3.55906 0.798001 -1.64203 274 69 2 4.14584 0.929565 -1.91275 275 69 3 4.90739 1.10032 -2.2641 276 69 4 5.49417 1.23188 -2.53482 277 70 1 -3.40994 -0.202713 -2.08115 278 70 2 -3.97213 -0.236134 -2.42427 279 70 3 -4.70178 -0.279509 -2.86958 280 70 4 -5.26397 -0.31293 -3.2127 281 71 1 2.62812 -1.82176 -2.40295 282 71 2 3.06141 -2.12211 -2.79912 283 71 3 3.62377 -2.51192 -3.31329 284 71 4 4.05706 -2.81227 -3.70946 285 72 1 -3.82746 0.847616 -0.795064 286 72 2 -4.45848 0.98736 -0.926144 287 72 3 -5.27746 1.16873 -1.09627 288 72 4 -5.90849 1.30847 -1.22735 Bonds 1 1 1 2 2 2 2 3 3 3 3 4 4 1 5 6 5 2 6 7 6 3 7 8 7 1 9 10 8 2 10 11 9 3 11 12 10 1 13 14 11 2 14 15 12 3 15 16 13 1 17 18 14 2 18 19 15 3 19 20 16 1 21 22 17 2 22 23 18 3 23 24 19 1 25 26 20 2 26 27 21 3 27 28 22 1 29 30 23 2 30 31 24 3 31 32 25 1 33 34 26 2 34 35 27 3 35 36 28 1 37 38 29 2 38 39 30 3 39 40 31 1 41 42 32 2 42 43 33 3 43 44 34 1 45 46 35 2 46 47 36 3 47 48 37 1 49 50 38 2 50 51 39 3 51 52 40 1 53 54 41 2 54 55 42 3 55 56 43 1 57 58 44 2 58 59 45 3 59 60 46 1 61 62 47 2 62 63 48 3 63 64 49 1 65 66 50 2 66 67 51 3 67 68 52 1 69 70 53 2 70 71 54 3 71 72 55 1 73 74 56 2 74 75 57 3 75 76 58 1 77 78 59 2 78 79 60 3 79 80 61 1 81 82 62 2 82 83 63 3 83 84 64 1 85 86 65 2 86 87 66 3 87 88 67 1 89 90 68 2 90 91 69 3 91 92 70 1 93 94 71 2 94 95 72 3 95 96 73 1 97 98 74 2 98 99 75 3 99 100 76 1 101 102 77 2 102 103 78 3 103 104 79 1 105 106 80 2 106 107 81 3 107 108 82 1 109 110 83 2 110 111 84 3 111 112 85 1 113 114 86 2 114 115 87 3 115 116 88 1 117 118 89 2 118 119 90 3 119 120 91 1 121 122 92 2 122 123 93 3 123 124 94 1 125 126 95 2 126 127 96 3 127 128 97 1 129 130 98 2 130 131 99 3 131 132 100 1 133 134 101 2 134 135 102 3 135 136 103 1 137 138 104 2 138 139 105 3 139 140 106 1 141 142 107 2 142 143 108 3 143 144 109 1 145 146 110 2 146 147 111 3 147 148 112 1 149 150 113 2 150 151 114 3 151 152 115 1 153 154 116 2 154 155 117 3 155 156 118 1 157 158 119 2 158 159 120 3 159 160 121 1 161 162 122 2 162 163 123 3 163 164 124 1 165 166 125 2 166 167 126 3 167 168 127 1 169 170 128 2 170 171 129 3 171 172 130 1 173 174 131 2 174 175 132 3 175 176 133 1 177 178 134 2 178 179 135 3 179 180 136 1 181 182 137 2 182 183 138 3 183 184 139 1 185 186 140 2 186 187 141 3 187 188 142 1 189 190 143 2 190 191 144 3 191 192 145 1 193 194 146 2 194 195 147 3 195 196 148 1 197 198 149 2 198 199 150 3 199 200 151 1 201 202 152 2 202 203 153 3 203 204 154 1 205 206 155 2 206 207 156 3 207 208 157 1 209 210 158 2 210 211 159 3 211 212 160 1 213 214 161 2 214 215 162 3 215 216 163 1 217 218 164 2 218 219 165 3 219 220 166 1 221 222 167 2 222 223 168 3 223 224 169 1 225 226 170 2 226 227 171 3 227 228 172 1 229 230 173 2 230 231 174 3 231 232 175 1 233 234 176 2 234 235 177 3 235 236 178 1 237 238 179 2 238 239 180 3 239 240 181 1 241 242 182 2 242 243 183 3 243 244 184 1 245 246 185 2 246 247 186 3 247 248 187 1 249 250 188 2 250 251 189 3 251 252 190 1 253 254 191 2 254 255 192 3 255 256 193 1 257 258 194 2 258 259 195 3 259 260 196 1 261 262 197 2 262 263 198 3 263 264 199 1 265 266 200 2 266 267 201 3 267 268 202 1 269 270 203 2 270 271 204 3 271 272 205 1 273 274 206 2 274 275 207 3 275 276 208 1 277 278 209 2 278 279 210 3 279 280 211 1 281 282 212 2 282 283 213 3 283 284 214 1 285 286 215 2 286 287 216 3 287 288 Angles 1 1 1 2 3 2 1 2 3 4 3 1 5 6 7 4 1 6 7 8 5 1 9 10 11 6 1 10 11 12 7 1 13 14 15 8 1 14 15 16 9 1 17 18 19 10 1 18 19 20 11 1 21 22 23 12 1 22 23 24 13 1 25 26 27 14 1 26 27 28 15 1 29 30 31 16 1 30 31 32 17 1 33 34 35 18 1 34 35 36 19 1 37 38 39 20 1 38 39 40 21 1 41 42 43 22 1 42 43 44 23 1 45 46 47 24 1 46 47 48 25 1 49 50 51 26 1 50 51 52 27 1 53 54 55 28 1 54 55 56 29 1 57 58 59 30 1 58 59 60 31 1 61 62 63 32 1 62 63 64 33 1 65 66 67 34 1 66 67 68 35 1 69 70 71 36 1 70 71 72 37 1 73 74 75 38 1 74 75 76 39 1 77 78 79 40 1 78 79 80 41 1 81 82 83 42 1 82 83 84 43 1 85 86 87 44 1 86 87 88 45 1 89 90 91 46 1 90 91 92 47 1 93 94 95 48 1 94 95 96 49 1 97 98 99 50 1 98 99 100 51 1 101 102 103 52 1 102 103 104 53 1 105 106 107 54 1 106 107 108 55 1 109 110 111 56 1 110 111 112 57 1 113 114 115 58 1 114 115 116 59 1 117 118 119 60 1 118 119 120 61 1 121 122 123 62 1 122 123 124 63 1 125 126 127 64 1 126 127 128 65 1 129 130 131 66 1 130 131 132 67 1 133 134 135 68 1 134 135 136 69 1 137 138 139 70 1 138 139 140 71 1 141 142 143 72 1 142 143 144 73 1 145 146 147 74 1 146 147 148 75 1 149 150 151 76 1 150 151 152 77 1 153 154 155 78 1 154 155 156 79 1 157 158 159 80 1 158 159 160 81 1 161 162 163 82 1 162 163 164 83 1 165 166 167 84 1 166 167 168 85 1 169 170 171 86 1 170 171 172 87 1 173 174 175 88 1 174 175 176 89 1 177 178 179 90 1 178 179 180 91 1 181 182 183 92 1 182 183 184 93 1 185 186 187 94 1 186 187 188 95 1 189 190 191 96 1 190 191 192 97 1 193 194 195 98 1 194 195 196 99 1 197 198 199 100 1 198 199 200 101 1 201 202 203 102 1 202 203 204 103 1 205 206 207 104 1 206 207 208 105 1 209 210 211 106 1 210 211 212 107 1 213 214 215 108 1 214 215 216 109 1 217 218 219 110 1 218 219 220 111 1 221 222 223 112 1 222 223 224 113 1 225 226 227 114 1 226 227 228 115 1 229 230 231 116 1 230 231 232 117 1 233 234 235 118 1 234 235 236 119 1 237 238 239 120 1 238 239 240 121 1 241 242 243 122 1 242 243 244 123 1 245 246 247 124 1 246 247 248 125 1 249 250 251 126 1 250 251 252 127 1 253 254 255 128 1 254 255 256 129 1 257 258 259 130 1 258 259 260 131 1 261 262 263 132 1 262 263 264 133 1 265 266 267 134 1 266 267 268 135 1 269 270 271 136 1 270 271 272 137 1 273 274 275 138 1 274 275 276 139 1 277 278 279 140 1 278 279 280 141 1 281 282 283 142 1 282 283 284 143 1 285 286 287 144 1 286 287 288