Sunday, September 22 2024 07:31:24
UNRES
1.06s
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CTEST_FULL_OUTPUT JESTEM T 447044640 1 T 447044640 5 T 447044640 8 T 447044640 10 T 447044640 11 T 447044640 12 T 447044640 15 T 447044640 16 T 447044640 19 T 447044640 20 T 447044640 22 T 447044640 23 T 447044640 24 T 447044640 26 T 447044640 27 T 447044640 28 T 447044640 30 T 447044640 34 T 447044640 35 T 447044640 36 T 447044640 39 T 447044640 41 T 447044640 44 T 447044640 45 T 447044640 52 T 447044640 60 T 447044640 62 T 447044640 68 T 447044640 73 T 447044640 74 T 447044640 75 T 447044640 76 T 447044640 77 T 447044640 83 T 447044640 87 T 447044640 91 T 447044640 97 T 447044640 98 T 447044640 104 T 447044640 110 T 447044640 111 T 447044640 113 T 447044640 114 T 447044640 115 T 447044640 117 T 447044640 121 T 447044640 124 T 447044640 128 T 447044640 129 T 447044640 134 T 447044640 137 T 447044640 138 T 447044640 141 T 447044640 146 T 447044640 147 T 447044640 151 T 447044640 155 T 447044640 161 T 447044640 164 T 447044640 175 T 447044640 177 T 447044640 178 T 447044640 183 T 447044640 186 T 447044640 193 T 447044640 196 T 447044640 205 T 447044640 211 T 447044640 216 T 447044640 219 T 447044640 220 T 447044640 221 T 447044640 226 T 447044640 229 T 447044640 231 T 447044640 234 T 447044640 238 T 447044640 250 T 447044640 252 T 447044640 257 T 447044640 259 T 447044640 261 T 447044640 265 T 447044640 269 T 447044640 271 T 447044640 277 T 447044640 278 T 447044640 283 T 447044640 291 T 447044640 294 T 447044640 298 T 447044640 299 T 447044640 303 T 447044640 307 T 447044640 312 T 447044640 316 T 447044640 318 T 447044640 319 T 447044640 323 T 447044640 327 T 447044640 331 T 447044640 338 T 447044640 344 T 447044640 346 T 447044640 347 T 447044640 353 T 447044640 355 T 447044640 356 T 447044640 358 T 447044640 359 T 447044640 362 T 447044640 373 T 447044640 374 T 447044640 378 T 447044640 386 T 447044640 389 T 447044640 394 T 447044640 405 T 447044640 413 T 447044640 416 T 447044640 420 T 447044640 429 T 447044640 439 T 447044640 440 T 447044640 441 T 447044640 447 T 447044640 448 T 447044640 453 T 447044640 478 T 447044640 479 T 447044640 489 T 447044640 499 T 447044640 510 T 447044640 513 T 447044640 537 T 447044640 538 T 447044640 544 T 447044640 545 T 447044640 552 T 447044640 554 T 447044640 560 T 447044640 563 T 447044640 571 T 447044640 2 T 447044640 6 T 447044640 9 T 447044640 17 T 447044640 29 T 447044640 31 T 447044640 40 T 447044640 47 T 447044640 49 T 447044640 55 T 447044640 57 T 447044640 66 T 447044640 70 T 447044640 81 T 447044640 82 T 447044640 84 T 447044640 89 T 447044640 90 T 447044640 92 T 447044640 93 T 447044640 94 T 447044640 100 T 447044640 101 T 447044640 107 T 447044640 118 T 447044640 119 T 447044640 120 T 447044640 123 T 447044640 125 T 447044640 131 T 447044640 132 T 447044640 133 T 447044640 143 T 447044640 145 T 447044640 150 T 447044640 152 T 447044640 153 T 447044640 159 T 447044640 162 T 447044640 166 T 447044640 172 T 447044640 173 T 447044640 180 T 447044640 182 T 447044640 191 T 447044640 194 T 447044640 203 T 447044640 204 T 447044640 207 T 447044640 210 T 447044640 213 T 447044640 222 T 447044640 228 T 447044640 232 T 447044640 235 T 447044640 240 T 447044640 241 T 447044640 246 T 447044640 251 T 447044640 256 T 447044640 258 T 447044640 262 T 447044640 270 T 447044640 272 T 447044640 273 T 447044640 275 T 447044640 279 T 447044640 281 T 447044640 284 T 447044640 285 T 447044640 286 T 447044640 288 T 447044640 290 T 447044640 296 T 447044640 301 T 447044640 305 T 447044640 308 T 447044640 315 T 447044640 321 T 447044640 324 T 447044640 325 T 447044640 330 T 447044640 333 T 447044640 336 T 447044640 337 T 447044640 350 T 447044640 369 T 447044640 370 T 447044640 377 T 447044640 379 T 447044640 380 T 447044640 387 T 447044640 388 T 447044640 395 T 447044640 398 T 447044640 403 T 447044640 419 T 447044640 423 T 447044640 428 T 447044640 436 T 447044640 445 T 447044640 452 T 447044640 456 T 447044640 457 T 447044640 459 T 447044640 461 T 447044640 462 T 447044640 463 T 447044640 464 T 447044640 467 T 447044640 471 T 447044640 475 T 447044640 476 T 447044640 497 T 447044640 498 T 447044640 500 T 447044640 506 T 447044640 507 T 447044640 511 T 447044640 521 T 447044640 530 T 447044640 534 T 447044640 539 T 447044640 550 T 447044640 551 T 447044640 559 T 447044640 568 T 447044640 575 T 447044640 3 T 447044640 21 T 447044640 33 T 447044640 43 T 447044640 51 T 447044640 54 T 447044640 58 T 447044640 64 T 447044640 67 T 447044640 69 T 447044640 71 T 447044640 79 T 447044640 85 T 447044640 96 T 447044640 99 T 447044640 102 T 447044640 122 T 447044640 126 T 447044640 127 T 447044640 130 T 447044640 135 T 447044640 140 T 447044640 142 T 447044640 148 T 447044640 149 T 447044640 154 T 447044640 165 T 447044640 167 T 447044640 168 T 447044640 171 T 447044640 176 T 447044640 179 T 447044640 181 T 447044640 192 T 447044640 197 T 447044640 198 T 447044640 199 T 447044640 201 T 447044640 206 T 447044640 208 T 447044640 209 T 447044640 212 T 447044640 214 T 447044640 215 T 447044640 217 T 447044640 223 T 447044640 227 T 447044640 233 T 447044640 236 T 447044640 242 T 447044640 243 T 447044640 245 T 447044640 260 T 447044640 267 T 447044640 268 T 447044640 276 T 447044640 280 T 447044640 289 T 447044640 292 T 447044640 297 T 447044640 300 T 447044640 302 T 447044640 311 T 447044640 314 T 447044640 322 T 447044640 329 T 447044640 341 T 447044640 343 T 447044640 345 T 447044640 349 T 447044640 357 T 447044640 363 T 447044640 366 T 447044640 368 T 447044640 371 T 447044640 375 T 447044640 385 T 447044640 391 T 447044640 400 T 447044640 402 T 447044640 404 T 447044640 406 T 447044640 409 T 447044640 410 T 447044640 412 T 447044640 415 T 447044640 424 T 447044640 432 T 447044640 433 T 447044640 434 T 447044640 437 T 447044640 442 T 447044640 443 T 447044640 444 T 447044640 446 T 447044640 449 T 447044640 460 T 447044640 469 T 447044640 473 T 447044640 477 T 447044640 487 T 447044640 492 T 447044640 509 T 447044640 512 T 447044640 517 T 447044640 519 T 447044640 523 T 447044640 524 T 447044640 526 T 447044640 528 T 447044640 533 T 447044640 540 T 447044640 541 T 447044640 542 T 447044640 546 T 447044640 548 T 447044640 553 T 447044640 556 T 447044640 558 T 447044640 564 T 447044640 566 T 447044640 572 T 447044640 573 T 447044640 4 T 447044640 7 T 447044640 13 T 447044640 14 T 447044640 18 T 447044640 37 T 447044640 38 T 447044640 48 T 447044640 50 T 447044640 53 T 447044640 56 T 447044640 59 T 447044640 61 T 447044640 65 T 447044640 72 T 447044640 78 T 447044640 86 T 447044640 95 T 447044640 109 T 447044640 112 T 447044640 116 T 447044640 136 T 447044640 156 T 447044640 157 T 447044640 158 T 447044640 160 T 447044640 169 T 447044640 184 T 447044640 187 T 447044640 188 T 447044640 189 T 447044640 190 T 447044640 195 T 447044640 200 T 447044640 202 T 447044640 218 T 447044640 224 T 447044640 225 T 447044640 230 T 447044640 237 T 447044640 248 T 447044640 253 T 447044640 255 T 447044640 263 T 447044640 264 T 447044640 266 T 447044640 274 T 447044640 282 T 447044640 287 T 447044640 293 T 447044640 295 T 447044640 304 T 447044640 309 T 447044640 310 T 447044640 320 T 447044640 328 T 447044640 334 T 447044640 335 T 447044640 339 T 447044640 340 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 447044640 342 T 447044640 348 T 447044640 354 T 447044640 360 T 447044640 365 T 447044640 367 T 447044640 372 T 447044640 381 T 447044640 383 T 447044640 384 T 447044640 392 T 447044640 396 T 447044640 397 T 447044640 401 T 447044640 408 T 447044640 411 T 447044640 417 T 447044640 418 T 447044640 421 T 447044640 422 T 447044640 430 T 447044640 435 T 447044640 458 T 447044640 465 T 447044640 468 T 447044640 470 T 447044640 472 T 447044640 474 T 447044640 480 T 447044640 482 T 447044640 483 T 447044640 488 T 447044640 490 T 447044640 491 T 447044640 494 T 447044640 496 T 447044640 501 T 447044640 502 T 447044640 504 T 447044640 508 T 447044640 516 T 447044640 518 T 447044640 520 T 447044640 525 T 447044640 527 T 447044640 529 T 447044640 532 T 447044640 535 T 447044640 543 T 447044640 555 T 447044640 565 T 447044640 569 T 447044640 570 T 447044640 25 T 447044640 32 T 447044640 42 T 447044640 46 T 447044640 63 T 447044640 80 T 447044640 88 T 447044640 103 T 447044640 105 T 447044640 106 T 447044640 108 T 447044640 139 T 447044640 144 T 447044640 163 T 447044640 170 T 447044640 174 T 447044640 185 T 447044640 239 T 447044640 244 T 447044640 247 T 447044640 249 T 447044640 254 T 447044640 306 T 447044640 313 T 447044640 317 T 447044640 326 T 447044640 332 T 447044640 351 T 447044640 352 T 447044640 361 T 447044640 364 T 447044640 376 T 447044640 382 T 447044640 390 T 447044640 393 T 447044640 399 T 447044640 407 T 447044640 414 T 447044640 425 T 447044640 426 T 447044640 427 T 447044640 431 T 447044640 438 T 447044640 450 T 447044640 451 T 447044640 454 T 447044640 455 T 447044640 466 T 447044640 481 T 447044640 484 T 447044640 485 T 447044640 486 T 447044640 493 T 447044640 495 T 447044640 503 T 447044640 505 T 447044640 514 T 447044640 515 T 447044640 522 T 447044640 531 T 447044640 536 T 447044640 547 T 447044640 549 T 447044640 557 T 447044640 561 T 447044640 562 T 447044640 567 T 447044640 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
