Tuesday, September 24 2024 03:21:01
UNRES
1.16s
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CTEST_FULL_OUTPUT JESTEM T 954531072 1 T 954531072 5 T 954531072 8 T 954531072 10 T 954531072 11 T 954531072 12 T 954531072 15 T 954531072 16 T 954531072 19 T 954531072 20 T 954531072 22 T 954531072 23 T 954531072 24 T 954531072 26 T 954531072 27 T 954531072 28 T 954531072 30 T 954531072 34 T 954531072 35 T 954531072 36 T 954531072 39 T 954531072 41 T 954531072 44 T 954531072 45 T 954531072 52 T 954531072 60 T 954531072 62 T 954531072 68 T 954531072 73 T 954531072 74 T 954531072 75 T 954531072 76 T 954531072 77 T 954531072 83 T 954531072 87 T 954531072 91 T 954531072 97 T 954531072 98 T 954531072 104 T 954531072 110 T 954531072 111 T 954531072 113 T 954531072 114 T 954531072 115 T 954531072 117 T 954531072 121 T 954531072 124 T 954531072 128 T 954531072 129 T 954531072 134 T 954531072 137 T 954531072 138 T 954531072 141 T 954531072 146 T 954531072 147 T 954531072 151 T 954531072 155 T 954531072 161 T 954531072 164 T 954531072 175 T 954531072 177 T 954531072 178 T 954531072 183 T 954531072 186 T 954531072 193 T 954531072 196 T 954531072 205 T 954531072 211 T 954531072 216 T 954531072 219 T 954531072 220 T 954531072 221 T 954531072 226 T 954531072 229 T 954531072 231 T 954531072 234 T 954531072 238 T 954531072 250 T 954531072 252 T 954531072 257 T 954531072 259 T 954531072 261 T 954531072 265 T 954531072 269 T 954531072 271 T 954531072 277 T 954531072 278 T 954531072 283 T 954531072 291 T 954531072 294 T 954531072 298 T 954531072 299 T 954531072 303 T 954531072 307 T 954531072 312 T 954531072 316 T 954531072 318 T 954531072 319 T 954531072 323 T 954531072 327 T 954531072 331 T 954531072 338 T 954531072 344 T 954531072 346 T 954531072 347 T 954531072 353 T 954531072 355 T 954531072 356 T 954531072 358 T 954531072 359 T 954531072 362 T 954531072 373 T 954531072 374 T 954531072 378 T 954531072 386 T 954531072 389 T 954531072 394 T 954531072 405 T 954531072 413 T 954531072 416 T 954531072 420 T 954531072 429 T 954531072 439 T 954531072 440 T 954531072 441 T 954531072 447 T 954531072 448 T 954531072 453 T 954531072 478 T 954531072 479 T 954531072 489 T 954531072 499 T 954531072 510 T 954531072 513 T 954531072 537 T 954531072 538 T 954531072 544 T 954531072 545 T 954531072 552 T 954531072 554 T 954531072 560 T 954531072 563 T 954531072 571 T 954531072 2 T 954531072 6 T 954531072 9 T 954531072 17 T 954531072 29 T 954531072 31 T 954531072 40 T 954531072 47 T 954531072 49 T 954531072 55 T 954531072 57 T 954531072 66 T 954531072 70 T 954531072 81 T 954531072 82 T 954531072 84 T 954531072 89 T 954531072 90 T 954531072 92 T 954531072 93 T 954531072 94 T 954531072 100 T 954531072 101 T 954531072 107 T 954531072 118 T 954531072 119 T 954531072 120 T 954531072 123 T 954531072 125 T 954531072 131 T 954531072 132 T 954531072 133 T 954531072 143 T 954531072 145 T 954531072 150 T 954531072 152 T 954531072 153 T 954531072 159 T 954531072 162 T 954531072 166 T 954531072 172 T 954531072 173 T 954531072 180 T 954531072 182 T 954531072 191 T 954531072 194 T 954531072 203 T 954531072 204 T 954531072 207 T 954531072 210 T 954531072 213 T 954531072 222 T 954531072 228 T 954531072 232 T 954531072 235 T 954531072 240 T 954531072 241 T 954531072 246 T 954531072 251 T 954531072 256 T 954531072 258 T 954531072 262 T 954531072 270 T 954531072 272 T 954531072 273 T 954531072 275 T 954531072 279 T 954531072 281 T 954531072 284 T 954531072 285 T 954531072 286 T 954531072 288 T 954531072 290 T 954531072 296 T 954531072 301 T 954531072 305 T 954531072 308 T 954531072 315 T 954531072 321 T 954531072 324 T 954531072 325 T 954531072 330 T 954531072 333 T 954531072 336 T 954531072 337 T 954531072 350 T 954531072 369 T 954531072 370 T 954531072 377 T 954531072 379 T 954531072 380 T 954531072 387 T 954531072 388 T 954531072 395 T 954531072 398 T 954531072 403 T 954531072 419 T 954531072 423 T 954531072 428 T 954531072 436 T 954531072 445 T 954531072 452 T 954531072 456 T 954531072 457 T 954531072 459 T 954531072 461 T 954531072 462 T 954531072 463 T 954531072 464 T 954531072 467 T 954531072 471 T 954531072 475 T 954531072 476 T 954531072 497 T 954531072 498 T 954531072 500 T 954531072 506 T 954531072 507 T 954531072 511 T 954531072 521 T 954531072 530 T 954531072 534 T 954531072 539 T 954531072 550 T 954531072 551 T 954531072 559 T 954531072 568 T 954531072 575 T 954531072 3 T 954531072 21 T 954531072 33 T 954531072 43 T 954531072 51 T 954531072 54 T 954531072 58 T 954531072 64 T 954531072 67 T 954531072 69 T 954531072 71 T 954531072 79 T 954531072 85 T 954531072 96 T 954531072 99 T 954531072 102 T 954531072 122 T 954531072 126 T 954531072 127 T 954531072 130 T 954531072 135 T 954531072 140 T 954531072 142 T 954531072 148 T 954531072 149 T 954531072 154 T 954531072 165 T 954531072 167 T 954531072 168 T 954531072 171 T 954531072 176 T 954531072 179 T 954531072 181 T 954531072 192 T 954531072 197 T 954531072 198 T 954531072 199 T 954531072 201 T 954531072 206 T 954531072 208 T 954531072 209 T 954531072 212 T 954531072 214 T 954531072 215 T 954531072 217 T 954531072 223 T 954531072 227 T 954531072 233 T 954531072 236 T 954531072 242 T 954531072 243 T 954531072 245 T 954531072 260 T 954531072 267 T 954531072 268 T 954531072 276 T 954531072 280 T 954531072 289 T 954531072 292 T 954531072 297 T 954531072 300 T 954531072 302 T 954531072 311 T 954531072 314 T 954531072 322 T 954531072 329 T 954531072 341 T 954531072 343 T 954531072 345 T 954531072 349 T 954531072 357 T 954531072 363 T 954531072 366 T 954531072 368 T 954531072 371 T 954531072 375 T 954531072 385 T 954531072 391 T 954531072 400 T 954531072 402 T 954531072 404 T 954531072 406 T 954531072 409 T 954531072 410 T 954531072 412 T 954531072 415 T 954531072 424 T 954531072 432 T 954531072 433 T 954531072 434 T 954531072 437 T 954531072 442 T 954531072 443 T 954531072 444 T 954531072 446 T 954531072 449 T 954531072 460 T 954531072 469 T 954531072 473 T 954531072 477 T 954531072 487 T 954531072 492 T 954531072 509 T 954531072 512 T 954531072 517 T 954531072 519 T 954531072 523 T 954531072 524 T 954531072 526 T 954531072 528 T 954531072 533 T 954531072 540 T 954531072 541 T 954531072 542 T 954531072 546 T 954531072 548 T 954531072 553 T 954531072 556 T 954531072 558 T 954531072 564 T 954531072 566 T 954531072 572 T 954531072 573 T 954531072 4 T 954531072 7 T 954531072 13 T 954531072 14 T 954531072 18 T 954531072 37 T 954531072 38 T 954531072 48 T 954531072 50 T 954531072 53 T 954531072 56 T 954531072 59 T 954531072 61 T 954531072 65 T 954531072 72 T 954531072 78 T 954531072 86 T 954531072 95 T 954531072 109 T 954531072 112 T 954531072 116 T 954531072 136 T 954531072 156 T 954531072 157 T 954531072 158 T 954531072 160 T 954531072 169 T 954531072 184 T 954531072 187 T 954531072 188 T 954531072 189 T 954531072 190 T 954531072 195 T 954531072 200 T 954531072 202 T 954531072 218 T 954531072 224 T 954531072 225 T 954531072 230 T 954531072 237 T 954531072 248 T 954531072 253 T 954531072 255 T 954531072 263 T 954531072 264 T 954531072 266 T 954531072 274 T 954531072 282 T 954531072 287 T 954531072 293 T 954531072 295 T 954531072 304 T 954531072 309 T 954531072 310 T 954531072 320 T 954531072 328 T 954531072 334 T 954531072 335 T 954531072 339 T 954531072 340 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 954531072 342 T 954531072 348 T 954531072 354 T 954531072 360 T 954531072 365 T 954531072 367 T 954531072 372 T 954531072 381 T 954531072 383 T 954531072 384 T 954531072 392 T 954531072 396 T 954531072 397 T 954531072 401 T 954531072 408 T 954531072 411 T 954531072 417 T 954531072 418 T 954531072 421 T 954531072 422 T 954531072 430 T 954531072 435 T 954531072 458 T 954531072 465 T 954531072 468 T 954531072 470 T 954531072 472 T 954531072 474 T 954531072 480 T 954531072 482 T 954531072 483 T 954531072 488 T 954531072 490 T 954531072 491 T 954531072 494 T 954531072 496 T 954531072 501 T 954531072 502 T 954531072 504 T 954531072 508 T 954531072 516 T 954531072 518 T 954531072 520 T 954531072 525 T 954531072 527 T 954531072 529 T 954531072 532 T 954531072 535 T 954531072 543 T 954531072 555 T 954531072 565 T 954531072 569 T 954531072 570 T 954531072 25 T 954531072 32 T 954531072 42 T 954531072 46 T 954531072 63 T 954531072 80 T 954531072 88 T 954531072 103 T 954531072 105 T 954531072 106 T 954531072 108 T 954531072 139 T 954531072 144 T 954531072 163 T 954531072 170 T 954531072 174 T 954531072 185 T 954531072 239 T 954531072 244 T 954531072 247 T 954531072 249 T 954531072 254 T 954531072 306 T 954531072 313 T 954531072 317 T 954531072 326 T 954531072 332 T 954531072 351 T 954531072 352 T 954531072 361 T 954531072 364 T 954531072 376 T 954531072 382 T 954531072 390 T 954531072 393 T 954531072 399 T 954531072 407 T 954531072 414 T 954531072 425 T 954531072 426 T 954531072 427 T 954531072 431 T 954531072 438 T 954531072 450 T 954531072 451 T 954531072 454 T 954531072 455 T 954531072 466 T 954531072 481 T 954531072 484 T 954531072 485 T 954531072 486 T 954531072 493 T 954531072 495 T 954531072 503 T 954531072 505 T 954531072 514 T 954531072 515 T 954531072 522 T 954531072 531 T 954531072 536 T 954531072 547 T 954531072 549 T 954531072 557 T 954531072 561 T 954531072 562 T 954531072 567 T 954531072 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
