Monday, September 23 2024 17:29:01
UNRES
1.55s
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CTEST_FULL_OUTPUT JESTEM T 227470288 1 T 227470288 5 T 227470288 8 T 227470288 10 T 227470288 11 T 227470288 12 T 227470288 15 T 227470288 16 T 227470288 19 T 227470288 20 T 227470288 22 T 227470288 23 T 227470288 24 T 227470288 26 T 227470288 27 T 227470288 28 T 227470288 30 T 227470288 34 T 227470288 35 T 227470288 36 T 227470288 39 T 227470288 41 T 227470288 44 T 227470288 45 T 227470288 52 T 227470288 60 T 227470288 62 T 227470288 68 T 227470288 73 T 227470288 74 T 227470288 75 T 227470288 76 T 227470288 77 T 227470288 83 T 227470288 87 T 227470288 91 T 227470288 97 T 227470288 98 T 227470288 104 T 227470288 110 T 227470288 111 T 227470288 113 T 227470288 114 T 227470288 115 T 227470288 117 T 227470288 121 T 227470288 124 T 227470288 128 T 227470288 129 T 227470288 134 T 227470288 137 T 227470288 138 T 227470288 141 T 227470288 146 T 227470288 147 T 227470288 151 T 227470288 155 T 227470288 161 T 227470288 164 T 227470288 175 T 227470288 177 T 227470288 178 T 227470288 183 T 227470288 186 T 227470288 193 T 227470288 196 T 227470288 205 T 227470288 211 T 227470288 216 T 227470288 219 T 227470288 220 T 227470288 221 T 227470288 226 T 227470288 229 T 227470288 231 T 227470288 234 T 227470288 238 T 227470288 250 T 227470288 252 T 227470288 257 T 227470288 259 T 227470288 261 T 227470288 265 T 227470288 269 T 227470288 271 T 227470288 277 T 227470288 278 T 227470288 283 T 227470288 291 T 227470288 294 T 227470288 298 T 227470288 299 T 227470288 303 T 227470288 307 T 227470288 312 T 227470288 316 T 227470288 318 T 227470288 319 T 227470288 323 T 227470288 327 T 227470288 331 T 227470288 338 T 227470288 344 T 227470288 346 T 227470288 347 T 227470288 353 T 227470288 355 T 227470288 356 T 227470288 358 T 227470288 359 T 227470288 362 T 227470288 373 T 227470288 374 T 227470288 378 T 227470288 386 T 227470288 389 T 227470288 394 T 227470288 405 T 227470288 413 T 227470288 416 T 227470288 420 T 227470288 429 T 227470288 439 T 227470288 440 T 227470288 441 T 227470288 447 T 227470288 448 T 227470288 453 T 227470288 478 T 227470288 479 T 227470288 489 T 227470288 499 T 227470288 510 T 227470288 513 T 227470288 537 T 227470288 538 T 227470288 544 T 227470288 545 T 227470288 552 T 227470288 554 T 227470288 560 T 227470288 563 T 227470288 571 T 227470288 2 T 227470288 6 T 227470288 9 T 227470288 17 T 227470288 29 T 227470288 31 T 227470288 40 T 227470288 47 T 227470288 49 T 227470288 55 T 227470288 57 T 227470288 66 T 227470288 70 T 227470288 81 T 227470288 82 T 227470288 84 T 227470288 89 T 227470288 90 T 227470288 92 T 227470288 93 T 227470288 94 T 227470288 100 T 227470288 101 T 227470288 107 T 227470288 118 T 227470288 119 T 227470288 120 T 227470288 123 T 227470288 125 T 227470288 131 T 227470288 132 T 227470288 133 T 227470288 143 T 227470288 145 T 227470288 150 T 227470288 152 T 227470288 153 T 227470288 159 T 227470288 162 T 227470288 166 T 227470288 172 T 227470288 173 T 227470288 180 T 227470288 182 T 227470288 191 T 227470288 194 T 227470288 203 T 227470288 204 T 227470288 207 T 227470288 210 T 227470288 213 T 227470288 222 T 227470288 228 T 227470288 232 T 227470288 235 T 227470288 240 T 227470288 241 T 227470288 246 T 227470288 251 T 227470288 256 T 227470288 258 T 227470288 262 T 227470288 270 T 227470288 272 T 227470288 273 T 227470288 275 T 227470288 279 T 227470288 281 T 227470288 284 T 227470288 285 T 227470288 286 T 227470288 288 T 227470288 290 T 227470288 296 T 227470288 301 T 227470288 305 T 227470288 308 T 227470288 315 T 227470288 321 T 227470288 324 T 227470288 325 T 227470288 330 T 227470288 333 T 227470288 336 T 227470288 337 T 227470288 350 T 227470288 369 T 227470288 370 T 227470288 377 T 227470288 379 T 227470288 380 T 227470288 387 T 227470288 388 T 227470288 395 T 227470288 398 T 227470288 403 T 227470288 419 T 227470288 423 T 227470288 428 T 227470288 436 T 227470288 445 T 227470288 452 T 227470288 456 T 227470288 457 T 227470288 459 T 227470288 461 T 227470288 462 T 227470288 463 T 227470288 464 T 227470288 467 T 227470288 471 T 227470288 475 T 227470288 476 T 227470288 497 T 227470288 498 T 227470288 500 T 227470288 506 T 227470288 507 T 227470288 511 T 227470288 521 T 227470288 530 T 227470288 534 T 227470288 539 T 227470288 550 T 227470288 551 T 227470288 559 T 227470288 568 T 227470288 575 T 227470288 3 T 227470288 21 T 227470288 33 T 227470288 43 T 227470288 51 T 227470288 54 T 227470288 58 T 227470288 64 T 227470288 67 T 227470288 69 T 227470288 71 T 227470288 79 T 227470288 85 T 227470288 96 T 227470288 99 T 227470288 102 T 227470288 122 T 227470288 126 T 227470288 127 T 227470288 130 T 227470288 135 T 227470288 140 T 227470288 142 T 227470288 148 T 227470288 149 T 227470288 154 T 227470288 165 T 227470288 167 T 227470288 168 T 227470288 171 T 227470288 176 T 227470288 179 T 227470288 181 T 227470288 192 T 227470288 197 T 227470288 198 T 227470288 199 T 227470288 201 T 227470288 206 T 227470288 208 T 227470288 209 T 227470288 212 T 227470288 214 T 227470288 215 T 227470288 217 T 227470288 223 T 227470288 227 T 227470288 233 T 227470288 236 T 227470288 242 T 227470288 243 T 227470288 245 T 227470288 260 T 227470288 267 T 227470288 268 T 227470288 276 T 227470288 280 T 227470288 289 T 227470288 292 T 227470288 297 T 227470288 300 T 227470288 302 T 227470288 311 T 227470288 314 T 227470288 322 T 227470288 329 T 227470288 341 T 227470288 343 T 227470288 345 T 227470288 349 T 227470288 357 T 227470288 363 T 227470288 366 T 227470288 368 T 227470288 371 T 227470288 375 T 227470288 385 T 227470288 391 T 227470288 400 T 227470288 402 T 227470288 404 T 227470288 406 T 227470288 409 T 227470288 410 T 227470288 412 T 227470288 415 T 227470288 424 T 227470288 432 T 227470288 433 T 227470288 434 T 227470288 437 T 227470288 442 T 227470288 443 T 227470288 444 T 227470288 446 T 227470288 449 T 227470288 460 T 227470288 469 T 227470288 473 T 227470288 477 T 227470288 487 T 227470288 492 T 227470288 509 T 227470288 512 T 227470288 517 T 227470288 519 T 227470288 523 T 227470288 524 T 227470288 526 T 227470288 528 T 227470288 533 T 227470288 540 T 227470288 541 T 227470288 542 T 227470288 546 T 227470288 548 T 227470288 553 T 227470288 556 T 227470288 558 T 227470288 564 T 227470288 566 T 227470288 572 T 227470288 573 T 227470288 4 T 227470288 7 T 227470288 13 T 227470288 14 T 227470288 18 T 227470288 37 T 227470288 38 T 227470288 48 T 227470288 50 T 227470288 53 T 227470288 56 T 227470288 59 T 227470288 61 T 227470288 65 T 227470288 72 T 227470288 78 T 227470288 86 T 227470288 95 T 227470288 109 T 227470288 112 T 227470288 116 T 227470288 136 T 227470288 156 T 227470288 157 T 227470288 158 T 227470288 160 T 227470288 169 T 227470288 184 T 227470288 187 T 227470288 188 T 227470288 189 T 227470288 190 T 227470288 195 T 227470288 200 T 227470288 202 T 227470288 218 T 227470288 224 T 227470288 225 T 227470288 230 T 227470288 237 T 227470288 248 T 227470288 253 T 227470288 255 T 227470288 263 T 227470288 264 T 227470288 266 T 227470288 274 T 227470288 282 T 227470288 287 T 227470288 293 T 227470288 295 T 227470288 304 T 227470288 309 T 227470288 310 T 227470288 320 T 227470288 328 T 227470288 334 T 227470288 335 T 227470288 339 T 227470288 340 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 227470288 342 T 227470288 348 T 227470288 354 T 227470288 360 T 227470288 365 T 227470288 367 T 227470288 372 T 227470288 381 T 227470288 383 T 227470288 384 T 227470288 392 T 227470288 396 T 227470288 397 T 227470288 401 T 227470288 408 T 227470288 411 T 227470288 417 T 227470288 418 T 227470288 421 T 227470288 422 T 227470288 430 T 227470288 435 T 227470288 458 T 227470288 465 T 227470288 468 T 227470288 470 T 227470288 472 T 227470288 474 T 227470288 480 T 227470288 482 T 227470288 483 T 227470288 488 T 227470288 490 T 227470288 491 T 227470288 494 T 227470288 496 T 227470288 501 T 227470288 502 T 227470288 504 T 227470288 508 T 227470288 516 T 227470288 518 T 227470288 520 T 227470288 525 T 227470288 527 T 227470288 529 T 227470288 532 T 227470288 535 T 227470288 543 T 227470288 555 T 227470288 565 T 227470288 569 T 227470288 570 T 227470288 25 T 227470288 32 T 227470288 42 T 227470288 46 T 227470288 63 T 227470288 80 T 227470288 88 T 227470288 103 T 227470288 105 T 227470288 106 T 227470288 108 T 227470288 139 T 227470288 144 T 227470288 163 T 227470288 170 T 227470288 174 T 227470288 185 T 227470288 239 T 227470288 244 T 227470288 247 T 227470288 249 T 227470288 254 T 227470288 306 T 227470288 313 T 227470288 317 T 227470288 326 T 227470288 332 T 227470288 351 T 227470288 352 T 227470288 361 T 227470288 364 T 227470288 376 T 227470288 382 T 227470288 390 T 227470288 393 T 227470288 399 T 227470288 407 T 227470288 414 T 227470288 425 T 227470288 426 T 227470288 427 T 227470288 431 T 227470288 438 T 227470288 450 T 227470288 451 T 227470288 454 T 227470288 455 T 227470288 466 T 227470288 481 T 227470288 484 T 227470288 485 T 227470288 486 T 227470288 493 T 227470288 495 T 227470288 503 T 227470288 505 T 227470288 514 T 227470288 515 T 227470288 522 T 227470288 531 T 227470288 536 T 227470288 547 T 227470288 549 T 227470288 557 T 227470288 561 T 227470288 562 T 227470288 567 T 227470288 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
