Wednesday, September 25 2024 07:18:11
UNRES
0.84s
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CTEST_FULL_OUTPUT JESTEM T 1893267600 1 T 1893267600 5 T 1893267600 8 T 1893267600 10 T 1893267600 11 T 1893267600 12 T 1893267600 15 T 1893267600 16 T 1893267600 19 T 1893267600 20 T 1893267600 22 T 1893267600 23 T 1893267600 24 T 1893267600 26 T 1893267600 27 T 1893267600 28 T 1893267600 30 T 1893267600 34 T 1893267600 35 T 1893267600 36 T 1893267600 39 T 1893267600 41 T 1893267600 44 T 1893267600 45 T 1893267600 52 T 1893267600 60 T 1893267600 62 T 1893267600 68 T 1893267600 73 T 1893267600 74 T 1893267600 75 T 1893267600 76 T 1893267600 77 T 1893267600 83 T 1893267600 87 T 1893267600 91 T 1893267600 97 T 1893267600 98 T 1893267600 104 T 1893267600 110 T 1893267600 111 T 1893267600 113 T 1893267600 114 T 1893267600 115 T 1893267600 117 T 1893267600 121 T 1893267600 124 T 1893267600 128 T 1893267600 129 T 1893267600 134 T 1893267600 137 T 1893267600 138 T 1893267600 141 T 1893267600 146 T 1893267600 147 T 1893267600 151 T 1893267600 155 T 1893267600 161 T 1893267600 164 T 1893267600 175 T 1893267600 177 T 1893267600 178 T 1893267600 183 T 1893267600 186 T 1893267600 193 T 1893267600 196 T 1893267600 205 T 1893267600 211 T 1893267600 216 T 1893267600 219 T 1893267600 220 T 1893267600 221 T 1893267600 226 T 1893267600 229 T 1893267600 231 T 1893267600 234 T 1893267600 238 T 1893267600 250 T 1893267600 252 T 1893267600 257 T 1893267600 259 T 1893267600 261 T 1893267600 265 T 1893267600 269 T 1893267600 271 T 1893267600 277 T 1893267600 278 T 1893267600 283 T 1893267600 291 T 1893267600 294 T 1893267600 298 T 1893267600 299 T 1893267600 303 T 1893267600 307 T 1893267600 312 T 1893267600 316 T 1893267600 318 T 1893267600 319 T 1893267600 323 T 1893267600 327 T 1893267600 331 T 1893267600 338 T 1893267600 344 T 1893267600 346 T 1893267600 347 T 1893267600 353 T 1893267600 355 T 1893267600 356 T 1893267600 358 T 1893267600 359 T 1893267600 362 T 1893267600 373 T 1893267600 374 T 1893267600 378 T 1893267600 386 T 1893267600 389 T 1893267600 394 T 1893267600 405 T 1893267600 413 T 1893267600 416 T 1893267600 420 T 1893267600 429 T 1893267600 439 T 1893267600 440 T 1893267600 441 T 1893267600 447 T 1893267600 448 T 1893267600 453 T 1893267600 478 T 1893267600 479 T 1893267600 489 T 1893267600 499 T 1893267600 510 T 1893267600 513 T 1893267600 537 T 1893267600 538 T 1893267600 544 T 1893267600 545 T 1893267600 552 T 1893267600 554 T 1893267600 560 T 1893267600 563 T 1893267600 571 T 1893267600 2 T 1893267600 6 T 1893267600 9 T 1893267600 17 T 1893267600 29 T 1893267600 31 T 1893267600 40 T 1893267600 47 T 1893267600 49 T 1893267600 55 T 1893267600 57 T 1893267600 66 T 1893267600 70 T 1893267600 81 T 1893267600 82 T 1893267600 84 T 1893267600 89 T 1893267600 90 T 1893267600 92 T 1893267600 93 T 1893267600 94 T 1893267600 100 T 1893267600 101 T 1893267600 107 T 1893267600 118 T 1893267600 119 T 1893267600 120 T 1893267600 123 T 1893267600 125 T 1893267600 131 T 1893267600 132 T 1893267600 133 T 1893267600 143 T 1893267600 145 T 1893267600 150 T 1893267600 152 T 1893267600 153 T 1893267600 159 T 1893267600 162 T 1893267600 166 T 1893267600 172 T 1893267600 173 T 1893267600 180 T 1893267600 182 T 1893267600 191 T 1893267600 194 T 1893267600 203 T 1893267600 204 T 1893267600 207 T 1893267600 210 T 1893267600 213 T 1893267600 222 T 1893267600 228 T 1893267600 232 T 1893267600 235 T 1893267600 240 T 1893267600 241 T 1893267600 246 T 1893267600 251 T 1893267600 256 T 1893267600 258 T 1893267600 262 T 1893267600 270 T 1893267600 272 T 1893267600 273 T 1893267600 275 T 1893267600 279 T 1893267600 281 T 1893267600 284 T 1893267600 285 T 1893267600 286 T 1893267600 288 T 1893267600 290 T 1893267600 296 T 1893267600 301 T 1893267600 305 T 1893267600 308 T 1893267600 315 T 1893267600 321 T 1893267600 324 T 1893267600 325 T 1893267600 330 T 1893267600 333 T 1893267600 336 T 1893267600 337 T 1893267600 350 T 1893267600 369 T 1893267600 370 T 1893267600 377 T 1893267600 379 T 1893267600 380 T 1893267600 387 T 1893267600 388 T 1893267600 395 T 1893267600 398 T 1893267600 403 T 1893267600 419 T 1893267600 423 T 1893267600 428 T 1893267600 436 T 1893267600 445 T 1893267600 452 T 1893267600 456 T 1893267600 457 T 1893267600 459 T 1893267600 461 T 1893267600 462 T 1893267600 463 T 1893267600 464 T 1893267600 467 T 1893267600 471 T 1893267600 475 T 1893267600 476 T 1893267600 497 T 1893267600 498 T 1893267600 500 T 1893267600 506 T 1893267600 507 T 1893267600 511 T 1893267600 521 T 1893267600 530 T 1893267600 534 T 1893267600 539 T 1893267600 550 T 1893267600 551 T 1893267600 559 T 1893267600 568 T 1893267600 575 T 1893267600 3 T 1893267600 21 T 1893267600 33 T 1893267600 43 T 1893267600 51 T 1893267600 54 T 1893267600 58 T 1893267600 64 T 1893267600 67 T 1893267600 69 T 1893267600 71 T 1893267600 79 T 1893267600 85 T 1893267600 96 T 1893267600 99 T 1893267600 102 T 1893267600 122 T 1893267600 126 T 1893267600 127 T 1893267600 130 T 1893267600 135 T 1893267600 140 T 1893267600 142 T 1893267600 148 T 1893267600 149 T 1893267600 154 T 1893267600 165 T 1893267600 167 T 1893267600 168 T 1893267600 171 T 1893267600 176 T 1893267600 179 T 1893267600 181 T 1893267600 192 T 1893267600 197 T 1893267600 198 T 1893267600 199 T 1893267600 201 T 1893267600 206 T 1893267600 208 T 1893267600 209 T 1893267600 212 T 1893267600 214 T 1893267600 215 T 1893267600 217 T 1893267600 223 T 1893267600 227 T 1893267600 233 T 1893267600 236 T 1893267600 242 T 1893267600 243 T 1893267600 245 T 1893267600 260 T 1893267600 267 T 1893267600 268 T 1893267600 276 T 1893267600 280 T 1893267600 289 T 1893267600 292 T 1893267600 297 T 1893267600 300 T 1893267600 302 T 1893267600 311 T 1893267600 314 T 1893267600 322 T 1893267600 329 T 1893267600 341 T 1893267600 343 T 1893267600 345 T 1893267600 349 T 1893267600 357 T 1893267600 363 T 1893267600 366 T 1893267600 368 T 1893267600 371 T 1893267600 375 T 1893267600 385 T 1893267600 391 T 1893267600 400 T 1893267600 402 T 1893267600 404 T 1893267600 406 T 1893267600 409 T 1893267600 410 T 1893267600 412 T 1893267600 415 T 1893267600 424 T 1893267600 432 T 1893267600 433 T 1893267600 434 T 1893267600 437 T 1893267600 442 T 1893267600 443 T 1893267600 444 T 1893267600 446 T 1893267600 449 T 1893267600 460 T 1893267600 469 T 1893267600 473 T 1893267600 477 T 1893267600 487 T 1893267600 492 T 1893267600 509 T 1893267600 512 T 1893267600 517 T 1893267600 519 T 1893267600 523 T 1893267600 524 T 1893267600 526 T 1893267600 528 T 1893267600 533 T 1893267600 540 T 1893267600 541 T 1893267600 542 T 1893267600 546 T 1893267600 548 T 1893267600 553 T 1893267600 556 T 1893267600 558 T 1893267600 564 T 1893267600 566 T 1893267600 572 T 1893267600 573 T 1893267600 4 T 1893267600 7 T 1893267600 13 T 1893267600 14 T 1893267600 18 T 1893267600 37 T 1893267600 38 T 1893267600 48 T 1893267600 50 T 1893267600 53 T 1893267600 56 T 1893267600 59 T 1893267600 61 T 1893267600 65 T 1893267600 72 T 1893267600 78 T 1893267600 86 T 1893267600 95 T 1893267600 109 T 1893267600 112 T 1893267600 116 T 1893267600 136 T 1893267600 156 T 1893267600 157 T 1893267600 158 T 1893267600 160 T 1893267600 169 T 1893267600 184 T 1893267600 187 T 1893267600 188 T 1893267600 189 T 1893267600 190 T 1893267600 195 T 1893267600 200 T 1893267600 202 T 1893267600 218 T 1893267600 224 T 1893267600 225 T 1893267600 230 T 1893267600 237 T 1893267600 248 T 1893267600 253 T 1893267600 255 T 1893267600 263 T 1893267600 264 T 1893267600 266 T 1893267600 274 T 1893267600 282 T 1893267600 287 T 1893267600 293 T 1893267600 295 T 1893267600 304 T 1893267600 309 T 1893267600 310 T 1893267600 320 T 1893267600 328 T 1893267600 334 T 1893267600 335 T 1893267600 339 T 1893267600 340 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1893267600 342 T 1893267600 348 T 1893267600 354 T 1893267600 360 T 1893267600 365 T 1893267600 367 T 1893267600 372 T 1893267600 381 T 1893267600 383 T 1893267600 384 T 1893267600 392 T 1893267600 396 T 1893267600 397 T 1893267600 401 T 1893267600 408 T 1893267600 411 T 1893267600 417 T 1893267600 418 T 1893267600 421 T 1893267600 422 T 1893267600 430 T 1893267600 435 T 1893267600 458 T 1893267600 465 T 1893267600 468 T 1893267600 470 T 1893267600 472 T 1893267600 474 T 1893267600 480 T 1893267600 482 T 1893267600 483 T 1893267600 488 T 1893267600 490 T 1893267600 491 T 1893267600 494 T 1893267600 496 T 1893267600 501 T 1893267600 502 T 1893267600 504 T 1893267600 508 T 1893267600 516 T 1893267600 518 T 1893267600 520 T 1893267600 525 T 1893267600 527 T 1893267600 529 T 1893267600 532 T 1893267600 535 T 1893267600 543 T 1893267600 555 T 1893267600 565 T 1893267600 569 T 1893267600 570 T 1893267600 25 T 1893267600 32 T 1893267600 42 T 1893267600 46 T 1893267600 63 T 1893267600 80 T 1893267600 88 T 1893267600 103 T 1893267600 105 T 1893267600 106 T 1893267600 108 T 1893267600 139 T 1893267600 144 T 1893267600 163 T 1893267600 170 T 1893267600 174 T 1893267600 185 T 1893267600 239 T 1893267600 244 T 1893267600 247 T 1893267600 249 T 1893267600 254 T 1893267600 306 T 1893267600 313 T 1893267600 317 T 1893267600 326 T 1893267600 332 T 1893267600 351 T 1893267600 352 T 1893267600 361 T 1893267600 364 T 1893267600 376 T 1893267600 382 T 1893267600 390 T 1893267600 393 T 1893267600 399 T 1893267600 407 T 1893267600 414 T 1893267600 425 T 1893267600 426 T 1893267600 427 T 1893267600 431 T 1893267600 438 T 1893267600 450 T 1893267600 451 T 1893267600 454 T 1893267600 455 T 1893267600 466 T 1893267600 481 T 1893267600 484 T 1893267600 485 T 1893267600 486 T 1893267600 493 T 1893267600 495 T 1893267600 503 T 1893267600 505 T 1893267600 514 T 1893267600 515 T 1893267600 522 T 1893267600 531 T 1893267600 536 T 1893267600 547 T 1893267600 549 T 1893267600 557 T 1893267600 561 T 1893267600 562 T 1893267600 567 T 1893267600 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
