The trajectory file cannot be uploaded normally, so I paste the text ，thanks！
ITEM: TIMESTEP 0 ITEM: NUMBER OF ATOMS 420 ITEM: BOX BOUNDS pp pp pp -8.1913882339999997e+00 4.6483830779000002e+01 -6.4119649000000001e+00 4.9306763662000002e+01 -1.0036178788000001e+01 6.3180167243000000e+01 ITEM: ATOMS id type xu yu zu 1 1 5.07717 1.82999 25.4 2 1 5.78731 3.05999 25.4 5 1 7.20759 3.05999 25.4 7 1 10.0482 3.05999 25.4 8 1 12.1786 1.82999 25.4 15 1 11.4684 3.05999 25.4 17 1 13.5989 1.82999 25.4 18 1 14.309 3.05999 25.4 29 1 15.7293 3.05999 25.4 31 1 18.5698 3.05999 25.4 3 1 5.07717 4.28999 25.4 4 1 5.78731 5.51999 25.4 6 1 7.91773 4.28999 25.4 9 1 5.07717 6.74999 25.4 10 1 5.78731 7.97999 25.4 11 1 7.20759 5.51999 25.4 12 1 7.91773 6.74999 25.4 19 1 5.07717 9.20999 25.4 21 1 7.20759 7.97999 25.4 22 1 7.91773 9.20999 25.4 13 1 9.33801 4.28999 25.4 14 1 10.0482 5.51999 25.4 16 1 12.1786 4.28999 25.4 23 1 9.33801 6.74999 25.4 24 1 10.0482 7.97999 25.4 25 1 11.4684 5.51999 25.4 26 1 12.1786 6.74999 25.4 27 1 13.5989 4.28999 25.4 37 1 9.33801 9.20999 25.4 39 1 11.4684 7.97999 25.4 40 1 12.1786 9.20999 25.4 41 1 13.5989 6.74999 25.4 59 1 13.5989 9.20999 25.4 28 1 14.309 5.51999 25.4 30 1 16.4394 4.28999 25.4 42 1 14.309 7.97999 25.4 43 1 15.7293 5.51999 25.4 44 1 16.4394 6.74999 25.4 45 1 17.8597 4.28999 25.4 46 1 18.5698 5.51999 25.4 61 1 15.7293 7.97999 25.4 62 1 16.4394 9.20999 25.4 63 1 17.8597 6.74999 25.4 64 1 18.5698 7.97999 25.4 85 1 17.8597 9.20999 25.4 20 1 5.78731 10.44 25.4 33 1 5.07717 11.67 25.4 35 1 7.20759 10.44 25.4 36 1 7.91773 11.67 25.4 54 1 7.91773 14.13 25.4 53 1 7.20759 12.9 25.4 51 1 5.07717 14.13 25.4 34 1 5.78731 12.9 25.4 38 1 10.0482 10.44 25.4 55 1 9.33801 11.67 25.4 57 1 11.4684 10.44 25.4 58 1 12.1786 11.67 25.4 81 1 13.5989 11.67 25.4 107 1 13.5989 14.13 25.4 80 1 12.1786 14.13 25.4 79 1 11.4684 12.9 25.4 77 1 9.33801 14.13 25.4 56 1 10.0482 12.9 25.4 60 1 14.309 10.44 25.4 83 1 15.7293 10.44 25.4 84 1 16.4394 11.67 25.4 86 1 18.5698 10.44 25.4 111 1 17.8597 11.67 25.4 139 1 17.8597 14.13 25.4 112 1 18.5698 12.9 25.4 110 1 16.4394 14.13 25.4 109 1 15.7293 12.9 25.4 82 1 14.309 12.9 25.4 52 1 5.78731 15.36 25.4 73 1 5.07717 16.59 25.4 74 1 5.78731 17.82 25.4 75 1 7.20759 15.36 25.4 76 1 7.91773 16.59 25.4 99 1 5.07717 19.05 25.4 100 1 5.78731 20.28 25.4 101 1 7.20759 17.82 25.4 102 1 7.91773 19.05 25.4 129 1 7.20759 20.28 25.4 78 1 10.0482 15.36 25.4 103 1 9.33801 16.59 25.4 104 1 10.0482 17.82 25.4 105 1 11.4684 15.36 25.4 106 1 12.1786 16.59 25.4 131 1 9.33801 19.05 25.4 132 1 10.0482 20.28 25.4 133 1 11.4684 17.82 25.4 134 1 12.1786 19.05 25.4 135 1 13.5989 16.59 25.4 161 1 11.4684 20.28 25.4 163 1 13.5989 19.05 25.4 108 1 14.309 15.36 25.4 136 1 14.309 17.82 25.4 137 1 15.7293 15.36 25.4 138 1 16.4394 16.59 25.4 140 1 18.5698 15.36 25.4 164 1 14.309 20.28 25.4 165 1 15.7293 17.82 25.4 166 1 16.4394 19.05 25.4 167 1 17.8597 16.59 25.4 168 1 18.5698 17.82 25.4 193 1 15.7293 20.28 25.4 195 1 17.8597 19.05 25.4 196 1 18.5698 20.28 25.4 127 1 5.07717 21.51 25.4 128 1 5.78731 22.74 25.4 130 1 7.91773 21.51 25.4 155 1 5.07717 23.97 25.4 156 1 5.78731 25.2 25.4 157 1 7.20759 22.74 25.4 158 1 7.91773 23.97 25.4 183 1 5.07717 26.43 25.4 185 1 7.20759 25.2 25.4 186 1 7.91773 26.43 25.4 159 1 9.33801 21.51 25.4 160 1 10.0482 22.74 25.4 162 1 12.1786 21.51 25.4 187 1 9.33801 23.97 25.4 188 1 10.0482 25.2 25.4 189 1 11.4684 22.74 25.4 190 1 12.1786 23.97 25.4 191 1 13.5989 21.51 25.4 215 1 9.33801 26.43 25.4 217 1 11.4684 25.2 25.4 218 1 12.1786 26.43 25.4 219 1 13.5989 23.97 25.4 247 1 13.5989 26.43 25.4 192 1 14.309 22.74 25.4 194 1 16.4394 21.51 25.4 220 1 14.309 25.2 25.4 221 1 15.7293 22.74 25.4 222 1 16.4394 23.97 25.4 223 1 17.8597 21.51 25.4 224 1 18.5698 22.74 25.4 249 1 15.7293 25.2 25.4 250 1 16.4394 26.43 25.4 251 1 17.8597 23.97 25.4 252 1 18.5698 25.2 25.4 279 1 17.8597 26.43 25.4 239 1 5.07717 31.35 25.4 240 1 5.78731 32.58 25.4 242 1 7.91773 31.35 25.4 269 1 7.20759 32.58 25.4 241 1 7.20759 30.12 25.4 214 1 7.91773 28.89 25.4 213 1 7.20759 27.66 25.4 212 1 5.78731 30.12 25.4 211 1 5.07717 28.89 25.4 184 1 5.78731 27.66 25.4 271 1 9.33801 31.35 25.4 272 1 10.0482 32.58 25.4 274 1 12.1786 31.35 25.4 301 1 11.4684 32.58 25.4 303 1 13.5989 31.35 25.4 275 1 13.5989 28.89 25.4 273 1 11.4684 30.12 25.4 246 1 12.1786 28.89 25.4 245 1 11.4684 27.66 25.4 244 1 10.0482 30.12 25.4 243 1 9.33801 28.89 25.4 216 1 10.0482 27.66 25.4 304 1 14.309 32.58 25.4 306 1 16.4394 31.35 25.4 331 1 15.7293 32.58 25.4 333 1 17.8597 31.35 25.4 334 1 18.5698 32.58 25.4 308 1 18.5698 30.12 25.4 307 1 17.8597 28.89 25.4 305 1 15.7293 30.12 25.4 280 1 18.5698 27.66 25.4 278 1 16.4394 28.89 25.4 277 1 15.7293 27.66 25.4 276 1 14.309 30.12 25.4 248 1 14.309 27.66 25.4 267 1 5.07717 33.81 25.4 268 1 5.78731 35.04 25.4 270 1 7.91773 33.81 25.4 295 1 5.07717 36.27 25.4 296 1 5.78731 37.5 25.4 297 1 7.20759 35.04 25.4 298 1 7.91773 36.27 25.4 324 1 7.20759 37.5 25.4 299 1 9.33801 33.81 25.4 300 1 10.0482 35.04 25.4 302 1 12.1786 33.81 25.4 325 1 9.33801 36.27 25.4 326 1 10.0482 37.5 25.4 327 1 11.4684 35.04 25.4 328 1 12.1786 36.27 25.4 329 1 13.5989 33.81 25.4 349 1 11.4684 37.5 25.4 351 1 13.5989 36.27 25.4 330 1 14.309 35.04 25.4 332 1 16.4394 33.81 25.4 352 1 14.309 37.5 25.4 353 1 15.7293 35.04 25.4 354 1 16.4394 36.27 25.4 355 1 17.8597 33.81 25.4 356 1 18.5698 35.04 25.4 372 1 15.7293 37.5 25.4 373 1 17.8597 36.27 25.4 374 1 18.5698 37.5 25.4 323 1 5.07717 38.73 25.4 350 1 12.1786 38.73 25.4 371 1 13.5989 38.73 25.4 32 1 20.7003 1.82999 25.4 47 1 19.9901 3.05999 25.4 49 1 22.1205 1.82999 25.4 50 1 22.8307 3.05999 25.4 69 1 24.251 3.05999 25.4 71 1 27.0915 3.05999 25.4 72 1 29.2219 1.82999 25.4 95 1 28.5118 3.05999 25.4 97 1 30.6422 1.82999 25.4 98 1 31.3524 3.05999 25.4 125 1 32.7727 3.05999 25.4 48 1 20.7003 4.28999 25.4 65 1 19.9901 5.51999 25.4 66 1 20.7003 6.74999 25.4 67 1 22.1205 4.28999 25.4 68 1 22.8307 5.51999 25.4 70 1 24.9611 4.28999 25.4 87 1 19.9901 7.97999 25.4 88 1 20.7003 9.20999 25.4 89 1 22.1205 6.74999 25.4 90 1 22.8307 7.97999 25.4 91 1 24.251 5.51999 25.4 92 1 24.9611 6.74999 25.4 115 1 22.1205 9.20999 25.4 117 1 24.251 7.97999 25.4 118 1 24.9611 9.20999 25.4 93 1 26.3814 4.28999 25.4 94 1 27.0915 5.51999 25.4 96 1 29.2219 4.28999 25.4 119 1 26.3814 6.74999 25.4 120 1 27.0915 7.97999 25.4 121 1 28.5118 5.51999 25.4 122 1 29.2219 6.74999 25.4 147 1 26.3814 9.20999 25.4 149 1 28.5118 7.97999 25.4 150 1 29.2219 9.20999 25.4 123 1 30.6422 4.28999 25.4 124 1 31.3524 5.51999 25.4 126 1 33.4828 4.28999 25.4 151 1 30.6422 6.74999 25.4 152 1 31.3524 7.97999 25.4 153 1 32.7727 5.51999 25.4 154 1 33.4828 6.74999 25.4 179 1 30.6422 9.20999 25.4 181 1 32.7727 7.97999 25.4 182 1 33.4828 9.20999 25.4 113 1 19.9901 10.44 25.4 114 1 20.7003 11.67 25.4 116 1 22.8307 10.44 25.4 143 1 22.1205 11.67 25.4 145 1 24.251 10.44 25.4 146 1 24.9611 11.67 25.4 174 1 24.9611 14.13 25.4 173 1 24.251 12.9 25.4 171 1 22.1205 14.13 25.4 144 1 22.8307 12.9 25.4 142 1 20.7003 14.13 25.4 141 1 19.9901 12.9 25.4 148 1 27.0915 10.44 25.4 175 1 26.3814 11.67 25.4 177 1 28.5118 10.44 25.4 178 1 29.2219 11.67 25.4 206 1 29.2219 14.13 25.4 205 1 28.5118 12.9 25.4 203 1 26.3814 14.13 25.4 176 1 27.0915 12.9 25.4 180 1 31.3524 10.44 25.4 207 1 30.6422 11.67 25.4 209 1 32.7727 10.44 25.4 210 1 33.4828 11.67 25.4 238 1 33.4828 14.13 25.4 237 1 32.7727 12.9 25.4 235 1 30.6422 14.13 25.4 208 1 31.3524 12.9 25.4 169 1 19.9901 15.36 25.4 170 1 20.7003 16.59 25.4 172 1 22.8307 15.36 25.4 197 1 19.9901 17.82 25.4 198 1 20.7003 19.05 25.4 199 1 22.1205 16.59 25.4 200 1 22.8307 17.82 25.4 201 1 24.251 15.36 25.4 202 1 24.9611 16.59 25.4 225 1 19.9901 20.28 25.4 227 1 22.1205 19.05 25.4 228 1 22.8307 20.28 25.4 229 1 24.251 17.82 25.4 230 1 24.9611 19.05 25.4 257 1 24.251 20.28 25.4 204 1 27.0915 15.36 25.4 231 1 26.3814 16.59 25.4 232 1 27.0915 17.82 25.4 233 1 28.5118 15.36 25.4 234 1 29.2219 16.59 25.4 259 1 26.3814 19.05 25.4 260 1 27.0915 20.28 25.4 261 1 28.5118 17.82 25.4 262 1 29.2219 19.05 25.4 289 1 28.5118 20.28 25.4 236 1 31.3524 15.36 25.4 263 1 30.6422 16.59 25.4 264 1 31.3524 17.82 25.4 265 1 32.7727 15.36 25.4 266 1 33.4828 16.59 25.4 291 1 30.6422 19.05 25.4 292 1 31.3524 20.28 25.4 293 1 32.7727 17.82 25.4 294 1 33.4828 19.05 25.4 321 1 32.7727 20.28 25.4 226 1 20.7003 21.51 25.4 253 1 19.9901 22.74 25.4 254 1 20.7003 23.97 25.4 255 1 22.1205 21.51 25.4 256 1 22.8307 22.74 25.4 258 1 24.9611 21.51 25.4 281 1 19.9901 25.2 25.4 282 1 20.7003 26.43 25.4 283 1 22.1205 23.97 25.4 284 1 22.8307 25.2 25.4 285 1 24.251 22.74 25.4 286 1 24.9611 23.97 25.4 311 1 22.1205 26.43 25.4 313 1 24.251 25.2 25.4 314 1 24.9611 26.43 25.4 287 1 26.3814 21.51 25.4 288 1 27.0915 22.74 25.4 290 1 29.2219 21.51 25.4 315 1 26.3814 23.97 25.4 316 1 27.0915 25.2 25.4 317 1 28.5118 22.74 25.4 318 1 29.2219 23.97 25.4 341 1 26.3814 26.43 25.4 343 1 28.5118 25.2 25.4 344 1 29.2219 26.43 25.4 319 1 30.6422 21.51 25.4 320 1 31.3524 22.74 25.4 322 1 33.4828 21.51 25.4 345 1 30.6422 23.97 25.4 346 1 31.3524 25.2 25.4 347 1 32.7727 22.74 25.4 348 1 33.4828 23.97 25.4 367 1 30.6422 26.43 25.4 369 1 32.7727 25.2 25.4 370 1 33.4828 26.43 25.4 336 1 20.7003 31.35 25.4 357 1 19.9901 32.58 25.4 359 1 22.1205 31.35 25.4 360 1 22.8307 32.58 25.4 362 1 24.9611 31.35 25.4 379 1 24.251 32.58 25.4 361 1 24.251 30.12 25.4 340 1 24.9611 28.89 25.4 339 1 24.251 27.66 25.4 338 1 22.8307 30.12 25.4 337 1 22.1205 28.89 25.4 335 1 19.9901 30.12 25.4 312 1 22.8307 27.66 25.4 310 1 20.7003 28.89 25.4 309 1 19.9901 27.66 25.4 381 1 26.3814 31.35 25.4 382 1 27.0915 32.58 25.4 384 1 29.2219 31.35 25.4 397 1 28.5118 32.58 25.4 383 1 28.5118 30.12 25.4 366 1 29.2219 28.89 25.4 365 1 28.5118 27.66 25.4 364 1 27.0915 30.12 25.4 363 1 26.3814 28.89 25.4 342 1 27.0915 27.66 25.4 399 1 30.6422 31.35 25.4 400 1 31.3524 32.58 25.4 402 1 33.4828 31.35 25.4 411 1 32.7727 32.58 25.4 401 1 32.7727 30.12 25.4 388 1 33.4828 28.89 25.4 387 1 32.7727 27.66 25.4 386 1 31.3524 30.12 25.4 385 1 30.6422 28.89 25.4 368 1 31.3524 27.66 25.4 358 1 20.7003 33.81 25.4 375 1 19.9901 35.04 25.4 376 1 20.7003 36.27 25.4 377 1 22.1205 33.81 25.4 378 1 22.8307 35.04 25.4 380 1 24.9611 33.81 25.4 389 1 19.9901 37.5 25.4 391 1 22.1205 36.27 25.4 392 1 22.8307 37.5 25.4 393 1 24.251 35.04 25.4 394 1 24.9611 36.27 25.4 404 1 24.251 37.5 25.4 395 1 26.3814 33.81 25.4 396 1 27.0915 35.04 25.4 398 1 29.2219 33.81 25.4 405 1 26.3814 36.27 25.4 406 1 27.0915 37.5 25.4 407 1 28.5118 35.04 25.4 408 1 29.2219 36.27 25.4 413 1 28.5118 37.5 25.4 409 1 30.6422 33.81 25.4 410 1 31.3524 35.04 25.4 412 1 33.4828 33.81 25.4 415 1 30.6422 36.27 25.4 416 1 31.3524 37.5 25.4 417 1 32.7727 35.04 25.4 418 1 33.4828 36.27 25.4 420 1 32.7727 37.5 25.4 390 1 20.7003 38.73 25.4 403 1 22.1205 38.73 25.4 414 1 29.2219 38.73 25.4 419 1 30.6422 38.73 25.4 The track file cannot be uploaded normally, so I paste the text -- Join us on Slack: https://join.slack.com/t/votca/signup --- You received this message because you are subscribed to the Google Groups "votca" group. 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