Friday, September 20 2024 20:40:35
UNRES
0.84s
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CTEST_FULL_OUTPUT JESTEM T 1750001920 1 T 1750001920 5 T 1750001920 8 T 1750001920 10 T 1750001920 11 T 1750001920 12 T 1750001920 15 T 1750001920 16 T 1750001920 19 T 1750001920 20 T 1750001920 22 T 1750001920 23 T 1750001920 24 T 1750001920 26 T 1750001920 27 T 1750001920 28 T 1750001920 30 T 1750001920 34 T 1750001920 35 T 1750001920 36 T 1750001920 39 T 1750001920 41 T 1750001920 44 T 1750001920 45 T 1750001920 52 T 1750001920 60 T 1750001920 62 T 1750001920 68 T 1750001920 73 T 1750001920 74 T 1750001920 75 T 1750001920 76 T 1750001920 77 T 1750001920 83 T 1750001920 87 T 1750001920 91 T 1750001920 97 T 1750001920 98 T 1750001920 104 T 1750001920 110 T 1750001920 111 T 1750001920 113 T 1750001920 114 T 1750001920 115 T 1750001920 117 T 1750001920 121 T 1750001920 124 T 1750001920 128 T 1750001920 129 T 1750001920 134 T 1750001920 137 T 1750001920 138 T 1750001920 141 T 1750001920 146 T 1750001920 147 T 1750001920 151 T 1750001920 155 T 1750001920 161 T 1750001920 164 T 1750001920 175 T 1750001920 177 T 1750001920 178 T 1750001920 183 T 1750001920 186 T 1750001920 193 T 1750001920 196 T 1750001920 205 T 1750001920 211 T 1750001920 216 T 1750001920 219 T 1750001920 220 T 1750001920 221 T 1750001920 226 T 1750001920 229 T 1750001920 231 T 1750001920 234 T 1750001920 238 T 1750001920 250 T 1750001920 252 T 1750001920 257 T 1750001920 259 T 1750001920 261 T 1750001920 265 T 1750001920 269 T 1750001920 271 T 1750001920 277 T 1750001920 278 T 1750001920 283 T 1750001920 291 T 1750001920 294 T 1750001920 298 T 1750001920 299 T 1750001920 303 T 1750001920 307 T 1750001920 312 T 1750001920 316 T 1750001920 318 T 1750001920 319 T 1750001920 323 T 1750001920 327 T 1750001920 331 T 1750001920 338 T 1750001920 344 T 1750001920 346 T 1750001920 347 T 1750001920 353 T 1750001920 355 T 1750001920 356 T 1750001920 358 T 1750001920 359 T 1750001920 362 T 1750001920 373 T 1750001920 374 T 1750001920 378 T 1750001920 386 T 1750001920 389 T 1750001920 394 T 1750001920 405 T 1750001920 413 T 1750001920 416 T 1750001920 420 T 1750001920 429 T 1750001920 439 T 1750001920 440 T 1750001920 441 T 1750001920 447 T 1750001920 448 T 1750001920 453 T 1750001920 478 T 1750001920 479 T 1750001920 489 T 1750001920 499 T 1750001920 510 T 1750001920 513 T 1750001920 537 T 1750001920 538 T 1750001920 544 T 1750001920 545 T 1750001920 552 T 1750001920 554 T 1750001920 560 T 1750001920 563 T 1750001920 571 T 1750001920 2 T 1750001920 6 T 1750001920 9 T 1750001920 17 T 1750001920 29 T 1750001920 31 T 1750001920 40 T 1750001920 47 T 1750001920 49 T 1750001920 55 T 1750001920 57 T 1750001920 66 T 1750001920 70 T 1750001920 81 T 1750001920 82 T 1750001920 84 T 1750001920 89 T 1750001920 90 T 1750001920 92 T 1750001920 93 T 1750001920 94 T 1750001920 100 T 1750001920 101 T 1750001920 107 T 1750001920 118 T 1750001920 119 T 1750001920 120 T 1750001920 123 T 1750001920 125 T 1750001920 131 T 1750001920 132 T 1750001920 133 T 1750001920 143 T 1750001920 145 T 1750001920 150 T 1750001920 152 T 1750001920 153 T 1750001920 159 T 1750001920 162 T 1750001920 166 T 1750001920 172 T 1750001920 173 T 1750001920 180 T 1750001920 182 T 1750001920 191 T 1750001920 194 T 1750001920 203 T 1750001920 204 T 1750001920 207 T 1750001920 210 T 1750001920 213 T 1750001920 222 T 1750001920 228 T 1750001920 232 T 1750001920 235 T 1750001920 240 T 1750001920 241 T 1750001920 246 T 1750001920 251 T 1750001920 256 T 1750001920 258 T 1750001920 262 T 1750001920 270 T 1750001920 272 T 1750001920 273 T 1750001920 275 T 1750001920 279 T 1750001920 281 T 1750001920 284 T 1750001920 285 T 1750001920 286 T 1750001920 288 T 1750001920 290 T 1750001920 296 T 1750001920 301 T 1750001920 305 T 1750001920 308 T 1750001920 315 T 1750001920 321 T 1750001920 324 T 1750001920 325 T 1750001920 330 T 1750001920 333 T 1750001920 336 T 1750001920 337 T 1750001920 350 T 1750001920 369 T 1750001920 370 T 1750001920 377 T 1750001920 379 T 1750001920 380 T 1750001920 387 T 1750001920 388 T 1750001920 395 T 1750001920 398 T 1750001920 403 T 1750001920 419 T 1750001920 423 T 1750001920 428 T 1750001920 436 T 1750001920 445 T 1750001920 452 T 1750001920 456 T 1750001920 457 T 1750001920 459 T 1750001920 461 T 1750001920 462 T 1750001920 463 T 1750001920 464 T 1750001920 467 T 1750001920 471 T 1750001920 475 T 1750001920 476 T 1750001920 497 T 1750001920 498 T 1750001920 500 T 1750001920 506 T 1750001920 507 T 1750001920 511 T 1750001920 521 T 1750001920 530 T 1750001920 534 T 1750001920 539 T 1750001920 550 T 1750001920 551 T 1750001920 559 T 1750001920 568 T 1750001920 575 T 1750001920 3 T 1750001920 21 T 1750001920 33 T 1750001920 43 T 1750001920 51 T 1750001920 54 T 1750001920 58 T 1750001920 64 T 1750001920 67 T 1750001920 69 T 1750001920 71 T 1750001920 79 T 1750001920 85 T 1750001920 96 T 1750001920 99 T 1750001920 102 T 1750001920 122 T 1750001920 126 T 1750001920 127 T 1750001920 130 T 1750001920 135 T 1750001920 140 T 1750001920 142 T 1750001920 148 T 1750001920 149 T 1750001920 154 T 1750001920 165 T 1750001920 167 T 1750001920 168 T 1750001920 171 T 1750001920 176 T 1750001920 179 T 1750001920 181 T 1750001920 192 T 1750001920 197 T 1750001920 198 T 1750001920 199 T 1750001920 201 T 1750001920 206 T 1750001920 208 T 1750001920 209 T 1750001920 212 T 1750001920 214 T 1750001920 215 T 1750001920 217 T 1750001920 223 T 1750001920 227 T 1750001920 233 T 1750001920 236 T 1750001920 242 T 1750001920 243 T 1750001920 245 T 1750001920 260 T 1750001920 267 T 1750001920 268 T 1750001920 276 T 1750001920 280 T 1750001920 289 T 1750001920 292 T 1750001920 297 T 1750001920 300 T 1750001920 302 T 1750001920 311 T 1750001920 314 T 1750001920 322 T 1750001920 329 T 1750001920 341 T 1750001920 343 T 1750001920 345 T 1750001920 349 T 1750001920 357 T 1750001920 363 T 1750001920 366 T 1750001920 368 T 1750001920 371 T 1750001920 375 T 1750001920 385 T 1750001920 391 T 1750001920 400 T 1750001920 402 T 1750001920 404 T 1750001920 406 T 1750001920 409 T 1750001920 410 T 1750001920 412 T 1750001920 415 T 1750001920 424 T 1750001920 432 T 1750001920 433 T 1750001920 434 T 1750001920 437 T 1750001920 442 T 1750001920 443 T 1750001920 444 T 1750001920 446 T 1750001920 449 T 1750001920 460 T 1750001920 469 T 1750001920 473 T 1750001920 477 T 1750001920 487 T 1750001920 492 T 1750001920 509 T 1750001920 512 T 1750001920 517 T 1750001920 519 T 1750001920 523 T 1750001920 524 T 1750001920 526 T 1750001920 528 T 1750001920 533 T 1750001920 540 T 1750001920 541 T 1750001920 542 T 1750001920 546 T 1750001920 548 T 1750001920 553 T 1750001920 556 T 1750001920 558 T 1750001920 564 T 1750001920 566 T 1750001920 572 T 1750001920 573 T 1750001920 4 T 1750001920 7 T 1750001920 13 T 1750001920 14 T 1750001920 18 T 1750001920 37 T 1750001920 38 T 1750001920 48 T 1750001920 50 T 1750001920 53 T 1750001920 56 T 1750001920 59 T 1750001920 61 T 1750001920 65 T 1750001920 72 T 1750001920 78 T 1750001920 86 T 1750001920 95 T 1750001920 109 T 1750001920 112 T 1750001920 116 T 1750001920 136 T 1750001920 156 T 1750001920 157 T 1750001920 158 T 1750001920 160 T 1750001920 169 T 1750001920 184 T 1750001920 187 T 1750001920 188 T 1750001920 189 T 1750001920 190 T 1750001920 195 T 1750001920 200 T 1750001920 202 T 1750001920 218 T 1750001920 224 T 1750001920 225 T 1750001920 230 T 1750001920 237 T 1750001920 248 T 1750001920 253 T 1750001920 255 T 1750001920 263 T 1750001920 264 T 1750001920 266 T 1750001920 274 T 1750001920 282 T 1750001920 287 T 1750001920 293 T 1750001920 295 T 1750001920 304 T 1750001920 309 T 1750001920 310 T 1750001920 320 T 1750001920 328 T 1750001920 334 T 1750001920 335 T 1750001920 339 T 1750001920 340 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1750001920 342 T 1750001920 348 T 1750001920 354 T 1750001920 360 T 1750001920 365 T 1750001920 367 T 1750001920 372 T 1750001920 381 T 1750001920 383 T 1750001920 384 T 1750001920 392 T 1750001920 396 T 1750001920 397 T 1750001920 401 T 1750001920 408 T 1750001920 411 T 1750001920 417 T 1750001920 418 T 1750001920 421 T 1750001920 422 T 1750001920 430 T 1750001920 435 T 1750001920 458 T 1750001920 465 T 1750001920 468 T 1750001920 470 T 1750001920 472 T 1750001920 474 T 1750001920 480 T 1750001920 482 T 1750001920 483 T 1750001920 488 T 1750001920 490 T 1750001920 491 T 1750001920 494 T 1750001920 496 T 1750001920 501 T 1750001920 502 T 1750001920 504 T 1750001920 508 T 1750001920 516 T 1750001920 518 T 1750001920 520 T 1750001920 525 T 1750001920 527 T 1750001920 529 T 1750001920 532 T 1750001920 535 T 1750001920 543 T 1750001920 555 T 1750001920 565 T 1750001920 569 T 1750001920 570 T 1750001920 25 T 1750001920 32 T 1750001920 42 T 1750001920 46 T 1750001920 63 T 1750001920 80 T 1750001920 88 T 1750001920 103 T 1750001920 105 T 1750001920 106 T 1750001920 108 T 1750001920 139 T 1750001920 144 T 1750001920 163 T 1750001920 170 T 1750001920 174 T 1750001920 185 T 1750001920 239 T 1750001920 244 T 1750001920 247 T 1750001920 249 T 1750001920 254 T 1750001920 306 T 1750001920 313 T 1750001920 317 T 1750001920 326 T 1750001920 332 T 1750001920 351 T 1750001920 352 T 1750001920 361 T 1750001920 364 T 1750001920 376 T 1750001920 382 T 1750001920 390 T 1750001920 393 T 1750001920 399 T 1750001920 407 T 1750001920 414 T 1750001920 425 T 1750001920 426 T 1750001920 427 T 1750001920 431 T 1750001920 438 T 1750001920 450 T 1750001920 451 T 1750001920 454 T 1750001920 455 T 1750001920 466 T 1750001920 481 T 1750001920 484 T 1750001920 485 T 1750001920 486 T 1750001920 493 T 1750001920 495 T 1750001920 503 T 1750001920 505 T 1750001920 514 T 1750001920 515 T 1750001920 522 T 1750001920 531 T 1750001920 536 T 1750001920 547 T 1750001920 549 T 1750001920 557 T 1750001920 561 T 1750001920 562 T 1750001920 567 T 1750001920 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
