Tuesday, September 24 2024 15:20:18
UNRES
0.98s
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CTEST_FULL_OUTPUT JESTEM T 353263488 1 T 353263488 5 T 353263488 8 T 353263488 10 T 353263488 11 T 353263488 12 T 353263488 15 T 353263488 16 T 353263488 19 T 353263488 20 T 353263488 22 T 353263488 23 T 353263488 24 T 353263488 26 T 353263488 27 T 353263488 28 T 353263488 30 T 353263488 34 T 353263488 35 T 353263488 36 T 353263488 39 T 353263488 41 T 353263488 44 T 353263488 45 T 353263488 52 T 353263488 60 T 353263488 62 T 353263488 68 T 353263488 73 T 353263488 74 T 353263488 75 T 353263488 76 T 353263488 77 T 353263488 83 T 353263488 87 T 353263488 91 T 353263488 97 T 353263488 98 T 353263488 104 T 353263488 110 T 353263488 111 T 353263488 113 T 353263488 114 T 353263488 115 T 353263488 117 T 353263488 121 T 353263488 124 T 353263488 128 T 353263488 129 T 353263488 134 T 353263488 137 T 353263488 138 T 353263488 141 T 353263488 146 T 353263488 147 T 353263488 151 T 353263488 155 T 353263488 161 T 353263488 164 T 353263488 175 T 353263488 177 T 353263488 178 T 353263488 183 T 353263488 186 T 353263488 193 T 353263488 196 T 353263488 205 T 353263488 211 T 353263488 216 T 353263488 219 T 353263488 220 T 353263488 221 T 353263488 226 T 353263488 229 T 353263488 231 T 353263488 234 T 353263488 238 T 353263488 250 T 353263488 252 T 353263488 257 T 353263488 259 T 353263488 261 T 353263488 265 T 353263488 269 T 353263488 271 T 353263488 277 T 353263488 278 T 353263488 283 T 353263488 291 T 353263488 294 T 353263488 298 T 353263488 299 T 353263488 303 T 353263488 307 T 353263488 312 T 353263488 316 T 353263488 318 T 353263488 319 T 353263488 323 T 353263488 327 T 353263488 331 T 353263488 338 T 353263488 344 T 353263488 346 T 353263488 347 T 353263488 353 T 353263488 355 T 353263488 356 T 353263488 358 T 353263488 359 T 353263488 362 T 353263488 373 T 353263488 374 T 353263488 378 T 353263488 386 T 353263488 389 T 353263488 394 T 353263488 405 T 353263488 413 T 353263488 416 T 353263488 420 T 353263488 429 T 353263488 439 T 353263488 440 T 353263488 441 T 353263488 447 T 353263488 448 T 353263488 453 T 353263488 478 T 353263488 479 T 353263488 489 T 353263488 499 T 353263488 510 T 353263488 513 T 353263488 537 T 353263488 538 T 353263488 544 T 353263488 545 T 353263488 552 T 353263488 554 T 353263488 560 T 353263488 563 T 353263488 571 T 353263488 2 T 353263488 6 T 353263488 9 T 353263488 17 T 353263488 29 T 353263488 31 T 353263488 40 T 353263488 47 T 353263488 49 T 353263488 55 T 353263488 57 T 353263488 66 T 353263488 70 T 353263488 81 T 353263488 82 T 353263488 84 T 353263488 89 T 353263488 90 T 353263488 92 T 353263488 93 T 353263488 94 T 353263488 100 T 353263488 101 T 353263488 107 T 353263488 118 T 353263488 119 T 353263488 120 T 353263488 123 T 353263488 125 T 353263488 131 T 353263488 132 T 353263488 133 T 353263488 143 T 353263488 145 T 353263488 150 T 353263488 152 T 353263488 153 T 353263488 159 T 353263488 162 T 353263488 166 T 353263488 172 T 353263488 173 T 353263488 180 T 353263488 182 T 353263488 191 T 353263488 194 T 353263488 203 T 353263488 204 T 353263488 207 T 353263488 210 T 353263488 213 T 353263488 222 T 353263488 228 T 353263488 232 T 353263488 235 T 353263488 240 T 353263488 241 T 353263488 246 T 353263488 251 T 353263488 256 T 353263488 258 T 353263488 262 T 353263488 270 T 353263488 272 T 353263488 273 T 353263488 275 T 353263488 279 T 353263488 281 T 353263488 284 T 353263488 285 T 353263488 286 T 353263488 288 T 353263488 290 T 353263488 296 T 353263488 301 T 353263488 305 T 353263488 308 T 353263488 315 T 353263488 321 T 353263488 324 T 353263488 325 T 353263488 330 T 353263488 333 T 353263488 336 T 353263488 337 T 353263488 350 T 353263488 369 T 353263488 370 T 353263488 377 T 353263488 379 T 353263488 380 T 353263488 387 T 353263488 388 T 353263488 395 T 353263488 398 T 353263488 403 T 353263488 419 T 353263488 423 T 353263488 428 T 353263488 436 T 353263488 445 T 353263488 452 T 353263488 456 T 353263488 457 T 353263488 459 T 353263488 461 T 353263488 462 T 353263488 463 T 353263488 464 T 353263488 467 T 353263488 471 T 353263488 475 T 353263488 476 T 353263488 497 T 353263488 498 T 353263488 500 T 353263488 506 T 353263488 507 T 353263488 511 T 353263488 521 T 353263488 530 T 353263488 534 T 353263488 539 T 353263488 550 T 353263488 551 T 353263488 559 T 353263488 568 T 353263488 575 T 353263488 3 T 353263488 21 T 353263488 33 T 353263488 43 T 353263488 51 T 353263488 54 T 353263488 58 T 353263488 64 T 353263488 67 T 353263488 69 T 353263488 71 T 353263488 79 T 353263488 85 T 353263488 96 T 353263488 99 T 353263488 102 T 353263488 122 T 353263488 126 T 353263488 127 T 353263488 130 T 353263488 135 T 353263488 140 T 353263488 142 T 353263488 148 T 353263488 149 T 353263488 154 T 353263488 165 T 353263488 167 T 353263488 168 T 353263488 171 T 353263488 176 T 353263488 179 T 353263488 181 T 353263488 192 T 353263488 197 T 353263488 198 T 353263488 199 T 353263488 201 T 353263488 206 T 353263488 208 T 353263488 209 T 353263488 212 T 353263488 214 T 353263488 215 T 353263488 217 T 353263488 223 T 353263488 227 T 353263488 233 T 353263488 236 T 353263488 242 T 353263488 243 T 353263488 245 T 353263488 260 T 353263488 267 T 353263488 268 T 353263488 276 T 353263488 280 T 353263488 289 T 353263488 292 T 353263488 297 T 353263488 300 T 353263488 302 T 353263488 311 T 353263488 314 T 353263488 322 T 353263488 329 T 353263488 341 T 353263488 343 T 353263488 345 T 353263488 349 T 353263488 357 T 353263488 363 T 353263488 366 T 353263488 368 T 353263488 371 T 353263488 375 T 353263488 385 T 353263488 391 T 353263488 400 T 353263488 402 T 353263488 404 T 353263488 406 T 353263488 409 T 353263488 410 T 353263488 412 T 353263488 415 T 353263488 424 T 353263488 432 T 353263488 433 T 353263488 434 T 353263488 437 T 353263488 442 T 353263488 443 T 353263488 444 T 353263488 446 T 353263488 449 T 353263488 460 T 353263488 469 T 353263488 473 T 353263488 477 T 353263488 487 T 353263488 492 T 353263488 509 T 353263488 512 T 353263488 517 T 353263488 519 T 353263488 523 T 353263488 524 T 353263488 526 T 353263488 528 T 353263488 533 T 353263488 540 T 353263488 541 T 353263488 542 T 353263488 546 T 353263488 548 T 353263488 553 T 353263488 556 T 353263488 558 T 353263488 564 T 353263488 566 T 353263488 572 T 353263488 573 T 353263488 4 T 353263488 7 T 353263488 13 T 353263488 14 T 353263488 18 T 353263488 37 T 353263488 38 T 353263488 48 T 353263488 50 T 353263488 53 T 353263488 56 T 353263488 59 T 353263488 61 T 353263488 65 T 353263488 72 T 353263488 78 T 353263488 86 T 353263488 95 T 353263488 109 T 353263488 112 T 353263488 116 T 353263488 136 T 353263488 156 T 353263488 157 T 353263488 158 T 353263488 160 T 353263488 169 T 353263488 184 T 353263488 187 T 353263488 188 T 353263488 189 T 353263488 190 T 353263488 195 T 353263488 200 T 353263488 202 T 353263488 218 T 353263488 224 T 353263488 225 T 353263488 230 T 353263488 237 T 353263488 248 T 353263488 253 T 353263488 255 T 353263488 263 T 353263488 264 T 353263488 266 T 353263488 274 T 353263488 282 T 353263488 287 T 353263488 293 T 353263488 295 T 353263488 304 T 353263488 309 T 353263488 310 T 353263488 320 T 353263488 328 T 353263488 334 T 353263488 335 T 353263488 339 T 353263488 340 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 353263488 342 T 353263488 348 T 353263488 354 T 353263488 360 T 353263488 365 T 353263488 367 T 353263488 372 T 353263488 381 T 353263488 383 T 353263488 384 T 353263488 392 T 353263488 396 T 353263488 397 T 353263488 401 T 353263488 408 T 353263488 411 T 353263488 417 T 353263488 418 T 353263488 421 T 353263488 422 T 353263488 430 T 353263488 435 T 353263488 458 T 353263488 465 T 353263488 468 T 353263488 470 T 353263488 472 T 353263488 474 T 353263488 480 T 353263488 482 T 353263488 483 T 353263488 488 T 353263488 490 T 353263488 491 T 353263488 494 T 353263488 496 T 353263488 501 T 353263488 502 T 353263488 504 T 353263488 508 T 353263488 516 T 353263488 518 T 353263488 520 T 353263488 525 T 353263488 527 T 353263488 529 T 353263488 532 T 353263488 535 T 353263488 543 T 353263488 555 T 353263488 565 T 353263488 569 T 353263488 570 T 353263488 25 T 353263488 32 T 353263488 42 T 353263488 46 T 353263488 63 T 353263488 80 T 353263488 88 T 353263488 103 T 353263488 105 T 353263488 106 T 353263488 108 T 353263488 139 T 353263488 144 T 353263488 163 T 353263488 170 T 353263488 174 T 353263488 185 T 353263488 239 T 353263488 244 T 353263488 247 T 353263488 249 T 353263488 254 T 353263488 306 T 353263488 313 T 353263488 317 T 353263488 326 T 353263488 332 T 353263488 351 T 353263488 352 T 353263488 361 T 353263488 364 T 353263488 376 T 353263488 382 T 353263488 390 T 353263488 393 T 353263488 399 T 353263488 407 T 353263488 414 T 353263488 425 T 353263488 426 T 353263488 427 T 353263488 431 T 353263488 438 T 353263488 450 T 353263488 451 T 353263488 454 T 353263488 455 T 353263488 466 T 353263488 481 T 353263488 484 T 353263488 485 T 353263488 486 T 353263488 493 T 353263488 495 T 353263488 503 T 353263488 505 T 353263488 514 T 353263488 515 T 353263488 522 T 353263488 531 T 353263488 536 T 353263488 547 T 353263488 549 T 353263488 557 T 353263488 561 T 353263488 562 T 353263488 567 T 353263488 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
