Sunday, September 22 2024 11:27:27
UNRES
1.07s
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CTEST_FULL_OUTPUT JESTEM T -1687484832 1 T -1687484832 5 T -1687484832 8 T -1687484832 10 T -1687484832 11 T -1687484832 12 T -1687484832 15 T -1687484832 16 T -1687484832 19 T -1687484832 20 T -1687484832 22 T -1687484832 23 T -1687484832 24 T -1687484832 26 T -1687484832 27 T -1687484832 28 T -1687484832 30 T -1687484832 34 T -1687484832 35 T -1687484832 36 T -1687484832 39 T -1687484832 41 T -1687484832 44 T -1687484832 45 T -1687484832 52 T -1687484832 60 T -1687484832 62 T -1687484832 68 T -1687484832 73 T -1687484832 74 T -1687484832 75 T -1687484832 76 T -1687484832 77 T -1687484832 83 T -1687484832 87 T -1687484832 91 T -1687484832 97 T -1687484832 98 T -1687484832 104 T -1687484832 110 T -1687484832 111 T -1687484832 113 T -1687484832 114 T -1687484832 115 T -1687484832 117 T -1687484832 121 T -1687484832 124 T -1687484832 128 T -1687484832 129 T -1687484832 134 T -1687484832 137 T -1687484832 138 T -1687484832 141 T -1687484832 146 T -1687484832 147 T -1687484832 151 T -1687484832 155 T -1687484832 161 T -1687484832 164 T -1687484832 175 T -1687484832 177 T -1687484832 178 T -1687484832 183 T -1687484832 186 T -1687484832 193 T -1687484832 196 T -1687484832 205 T -1687484832 211 T -1687484832 216 T -1687484832 219 T -1687484832 220 T -1687484832 221 T -1687484832 226 T -1687484832 229 T -1687484832 231 T -1687484832 234 T -1687484832 238 T -1687484832 250 T -1687484832 252 T -1687484832 257 T -1687484832 259 T -1687484832 261 T -1687484832 265 T -1687484832 269 T -1687484832 271 T -1687484832 277 T -1687484832 278 T -1687484832 283 T -1687484832 291 T -1687484832 294 T -1687484832 298 T -1687484832 299 T -1687484832 303 T -1687484832 307 T -1687484832 312 T -1687484832 316 T -1687484832 318 T -1687484832 319 T -1687484832 323 T -1687484832 327 T -1687484832 331 T -1687484832 338 T -1687484832 344 T -1687484832 346 T -1687484832 347 T -1687484832 353 T -1687484832 355 T -1687484832 356 T -1687484832 358 T -1687484832 359 T -1687484832 362 T -1687484832 373 T -1687484832 374 T -1687484832 378 T -1687484832 386 T -1687484832 389 T -1687484832 394 T -1687484832 405 T -1687484832 413 T -1687484832 416 T -1687484832 420 T -1687484832 429 T -1687484832 439 T -1687484832 440 T -1687484832 441 T -1687484832 447 T -1687484832 448 T -1687484832 453 T -1687484832 478 T -1687484832 479 T -1687484832 489 T -1687484832 499 T -1687484832 510 T -1687484832 513 T -1687484832 537 T -1687484832 538 T -1687484832 544 T -1687484832 545 T -1687484832 552 T -1687484832 554 T -1687484832 560 T -1687484832 563 T -1687484832 571 T -1687484832 2 T -1687484832 6 T -1687484832 9 T -1687484832 17 T -1687484832 29 T -1687484832 31 T -1687484832 40 T -1687484832 47 T -1687484832 49 T -1687484832 55 T -1687484832 57 T -1687484832 66 T -1687484832 70 T -1687484832 81 T -1687484832 82 T -1687484832 84 T -1687484832 89 T -1687484832 90 T -1687484832 92 T -1687484832 93 T -1687484832 94 T -1687484832 100 T -1687484832 101 T -1687484832 107 T -1687484832 118 T -1687484832 119 T -1687484832 120 T -1687484832 123 T -1687484832 125 T -1687484832 131 T -1687484832 132 T -1687484832 133 T -1687484832 143 T -1687484832 145 T -1687484832 150 T -1687484832 152 T -1687484832 153 T -1687484832 159 T -1687484832 162 T -1687484832 166 T -1687484832 172 T -1687484832 173 T -1687484832 180 T -1687484832 182 T -1687484832 191 T -1687484832 194 T -1687484832 203 T -1687484832 204 T -1687484832 207 T -1687484832 210 T -1687484832 213 T -1687484832 222 T -1687484832 228 T -1687484832 232 T -1687484832 235 T -1687484832 240 T -1687484832 241 T -1687484832 246 T -1687484832 251 T -1687484832 256 T -1687484832 258 T -1687484832 262 T -1687484832 270 T -1687484832 272 T -1687484832 273 T -1687484832 275 T -1687484832 279 T -1687484832 281 T -1687484832 284 T -1687484832 285 T -1687484832 286 T -1687484832 288 T -1687484832 290 T -1687484832 296 T -1687484832 301 T -1687484832 305 T -1687484832 308 T -1687484832 315 T -1687484832 321 T -1687484832 324 T 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-1687484832 67 T -1687484832 69 T -1687484832 71 T -1687484832 79 T -1687484832 85 T -1687484832 96 T -1687484832 99 T -1687484832 102 T -1687484832 122 T -1687484832 126 T -1687484832 127 T -1687484832 130 T -1687484832 135 T -1687484832 140 T -1687484832 142 T -1687484832 148 T -1687484832 149 T -1687484832 154 T -1687484832 165 T -1687484832 167 T -1687484832 168 T -1687484832 171 T -1687484832 176 T -1687484832 179 T -1687484832 181 T -1687484832 192 T -1687484832 197 T -1687484832 198 T -1687484832 199 T -1687484832 201 T -1687484832 206 T -1687484832 208 T -1687484832 209 T -1687484832 212 T -1687484832 214 T -1687484832 215 T -1687484832 217 T -1687484832 223 T -1687484832 227 T -1687484832 233 T -1687484832 236 T -1687484832 242 T -1687484832 243 T -1687484832 245 T -1687484832 260 T -1687484832 267 T -1687484832 268 T -1687484832 276 T -1687484832 280 T -1687484832 289 T -1687484832 292 T -1687484832 297 T -1687484832 300 T -1687484832 302 T -1687484832 311 T -1687484832 314 T -1687484832 322 T -1687484832 329 T -1687484832 341 T -1687484832 343 T -1687484832 345 T -1687484832 349 T -1687484832 357 T -1687484832 363 T -1687484832 366 T -1687484832 368 T -1687484832 371 T -1687484832 375 T -1687484832 385 T -1687484832 391 T -1687484832 400 T -1687484832 402 T -1687484832 404 T -1687484832 406 T -1687484832 409 T -1687484832 410 T -1687484832 412 T -1687484832 415 T -1687484832 424 T -1687484832 432 T -1687484832 433 T -1687484832 434 T -1687484832 437 T -1687484832 442 T -1687484832 443 T -1687484832 444 T -1687484832 446 T -1687484832 449 T -1687484832 460 T -1687484832 469 T -1687484832 473 T -1687484832 477 T -1687484832 487 T -1687484832 492 T -1687484832 509 T -1687484832 512 T -1687484832 517 T -1687484832 519 T -1687484832 523 T -1687484832 524 T -1687484832 526 T -1687484832 528 T -1687484832 533 T -1687484832 540 T -1687484832 541 T -1687484832 542 T -1687484832 546 T -1687484832 548 T -1687484832 553 T -1687484832 556 T -1687484832 558 T -1687484832 564 T -1687484832 566 T -1687484832 572 T -1687484832 573 T -1687484832 4 T -1687484832 7 T -1687484832 13 T -1687484832 14 T -1687484832 18 T -1687484832 37 T -1687484832 38 T -1687484832 48 T -1687484832 50 T -1687484832 53 T -1687484832 56 T -1687484832 59 T -1687484832 61 T -1687484832 65 T -1687484832 72 T -1687484832 78 T -1687484832 86 T -1687484832 95 T -1687484832 109 T -1687484832 112 T -1687484832 116 T -1687484832 136 T -1687484832 156 T -1687484832 157 T -1687484832 158 T -1687484832 160 T -1687484832 169 T -1687484832 184 T -1687484832 187 T -1687484832 188 T -1687484832 189 T -1687484832 190 T -1687484832 195 T -1687484832 200 T -1687484832 202 T -1687484832 218 T -1687484832 224 T -1687484832 225 T -1687484832 230 T -1687484832 237 T -1687484832 248 T -1687484832 253 T -1687484832 255 T -1687484832 263 T -1687484832 264 T -1687484832 266 T -1687484832 274 T -1687484832 282 T -1687484832 287 T -1687484832 293 T -1687484832 295 T -1687484832 304 T -1687484832 309 T -1687484832 310 T -1687484832 320 T -1687484832 328 T -1687484832 334 T -1687484832 335 T -1687484832 339 T -1687484832 340 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1687484832 342 T -1687484832 348 T -1687484832 354 T -1687484832 360 T -1687484832 365 T -1687484832 367 T -1687484832 372 T -1687484832 381 T -1687484832 383 T -1687484832 384 T -1687484832 392 T -1687484832 396 T -1687484832 397 T -1687484832 401 T -1687484832 408 T -1687484832 411 T -1687484832 417 T -1687484832 418 T -1687484832 421 T -1687484832 422 T -1687484832 430 T -1687484832 435 T -1687484832 458 T -1687484832 465 T -1687484832 468 T -1687484832 470 T -1687484832 472 T -1687484832 474 T -1687484832 480 T -1687484832 482 T -1687484832 483 T -1687484832 488 T -1687484832 490 T -1687484832 491 T -1687484832 494 T -1687484832 496 T -1687484832 501 T -1687484832 502 T -1687484832 504 T -1687484832 508 T -1687484832 516 T -1687484832 518 T -1687484832 520 T -1687484832 525 T -1687484832 527 T -1687484832 529 T -1687484832 532 T -1687484832 535 T -1687484832 543 T -1687484832 555 T -1687484832 565 T -1687484832 569 T -1687484832 570 T -1687484832 25 T -1687484832 32 T -1687484832 42 T -1687484832 46 T -1687484832 63 T -1687484832 80 T -1687484832 88 T -1687484832 103 T -1687484832 105 T -1687484832 106 T -1687484832 108 T -1687484832 139 T -1687484832 144 T -1687484832 163 T -1687484832 170 T -1687484832 174 T -1687484832 185 T -1687484832 239 T -1687484832 244 T -1687484832 247 T -1687484832 249 T -1687484832 254 T -1687484832 306 T -1687484832 313 T -1687484832 317 T -1687484832 326 T -1687484832 332 T -1687484832 351 T -1687484832 352 T -1687484832 361 T -1687484832 364 T -1687484832 376 T -1687484832 382 T -1687484832 390 T -1687484832 393 T -1687484832 399 T -1687484832 407 T -1687484832 414 T -1687484832 425 T -1687484832 426 T -1687484832 427 T -1687484832 431 T -1687484832 438 T -1687484832 450 T -1687484832 451 T -1687484832 454 T -1687484832 455 T -1687484832 466 T -1687484832 481 T -1687484832 484 T -1687484832 485 T -1687484832 486 T -1687484832 493 T -1687484832 495 T -1687484832 503 T -1687484832 505 T -1687484832 514 T -1687484832 515 T -1687484832 522 T -1687484832 531 T -1687484832 536 T -1687484832 547 T -1687484832 549 T -1687484832 557 T -1687484832 561 T -1687484832 562 T -1687484832 567 T -1687484832 574 THERE ARE 5 FAMILIES OF CONFORMATIONS 1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -3.63351E+00 AVE RMSD 3.31 1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering ENERGY -1.18055E+00 RMS 2.81 1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -3.49023E+00 AVE RMSD 2.71 1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering ENERGY -1.17937E+00 RMS 2.35 1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -3.39328E+00 AVE RMSD 3.24 1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering ENERGY -1.17917E+00 RMS 3.08 1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -3.33458E+00 AVE RMSD 2.85 1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering ENERGY -1.17823E+00 RMS 3.03 1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -2.95461E+00 AVE RMSD 5.18 1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering ENERGY -1.17076E+00 RMS 4.94
