Saturday, September 21 2024 16:43:40
UNRES
0.82s
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CTEST_FULL_OUTPUT JESTEM T 514459440 1 T 514459440 5 T 514459440 8 T 514459440 10 T 514459440 11 T 514459440 12 T 514459440 15 T 514459440 16 T 514459440 19 T 514459440 20 T 514459440 22 T 514459440 23 T 514459440 24 T 514459440 26 T 514459440 27 T 514459440 28 T 514459440 30 T 514459440 34 T 514459440 35 T 514459440 36 T 514459440 39 T 514459440 41 T 514459440 44 T 514459440 45 T 514459440 52 T 514459440 60 T 514459440 62 T 514459440 68 T 514459440 73 T 514459440 74 T 514459440 75 T 514459440 76 T 514459440 77 T 514459440 83 T 514459440 87 T 514459440 91 T 514459440 97 T 514459440 98 T 514459440 104 T 514459440 110 T 514459440 111 T 514459440 113 T 514459440 114 T 514459440 115 T 514459440 117 T 514459440 121 T 514459440 124 T 514459440 128 T 514459440 129 T 514459440 134 T 514459440 137 T 514459440 138 T 514459440 141 T 514459440 146 T 514459440 147 T 514459440 151 T 514459440 155 T 514459440 161 T 514459440 164 T 514459440 175 T 514459440 177 T 514459440 178 T 514459440 183 T 514459440 186 T 514459440 193 T 514459440 196 T 514459440 205 T 514459440 211 T 514459440 216 T 514459440 219 T 514459440 220 T 514459440 221 T 514459440 226 T 514459440 229 T 514459440 231 T 514459440 234 T 514459440 238 T 514459440 250 T 514459440 252 T 514459440 257 T 514459440 259 T 514459440 261 T 514459440 265 T 514459440 269 T 514459440 271 T 514459440 277 T 514459440 278 T 514459440 283 T 514459440 291 T 514459440 294 T 514459440 298 T 514459440 299 T 514459440 303 T 514459440 307 T 514459440 312 T 514459440 316 T 514459440 318 T 514459440 319 T 514459440 323 T 514459440 327 T 514459440 331 T 514459440 338 T 514459440 344 T 514459440 346 T 514459440 347 T 514459440 353 T 514459440 355 T 514459440 356 T 514459440 358 T 514459440 359 T 514459440 362 T 514459440 373 T 514459440 374 T 514459440 378 T 514459440 386 T 514459440 389 T 514459440 394 T 514459440 405 T 514459440 413 T 514459440 416 T 514459440 420 T 514459440 429 T 514459440 439 T 514459440 440 T 514459440 441 T 514459440 447 T 514459440 448 T 514459440 453 T 514459440 478 T 514459440 479 T 514459440 489 T 514459440 499 T 514459440 510 T 514459440 513 T 514459440 537 T 514459440 538 T 514459440 544 T 514459440 545 T 514459440 552 T 514459440 554 T 514459440 560 T 514459440 563 T 514459440 571 T 514459440 2 T 514459440 6 T 514459440 9 T 514459440 17 T 514459440 29 T 514459440 31 T 514459440 40 T 514459440 47 T 514459440 49 T 514459440 55 T 514459440 57 T 514459440 66 T 514459440 70 T 514459440 81 T 514459440 82 T 514459440 84 T 514459440 89 T 514459440 90 T 514459440 92 T 514459440 93 T 514459440 94 T 514459440 100 T 514459440 101 T 514459440 107 T 514459440 118 T 514459440 119 T 514459440 120 T 514459440 123 T 514459440 125 T 514459440 131 T 514459440 132 T 514459440 133 T 514459440 143 T 514459440 145 T 514459440 150 T 514459440 152 T 514459440 153 T 514459440 159 T 514459440 162 T 514459440 166 T 514459440 172 T 514459440 173 T 514459440 180 T 514459440 182 T 514459440 191 T 514459440 194 T 514459440 203 T 514459440 204 T 514459440 207 T 514459440 210 T 514459440 213 T 514459440 222 T 514459440 228 T 514459440 232 T 514459440 235 T 514459440 240 T 514459440 241 T 514459440 246 T 514459440 251 T 514459440 256 T 514459440 258 T 514459440 262 T 514459440 270 T 514459440 272 T 514459440 273 T 514459440 275 T 514459440 279 T 514459440 281 T 514459440 284 T 514459440 285 T 514459440 286 T 514459440 288 T 514459440 290 T 514459440 296 T 514459440 301 T 514459440 305 T 514459440 308 T 514459440 315 T 514459440 321 T 514459440 324 T 514459440 325 T 514459440 330 T 514459440 333 T 514459440 336 T 514459440 337 T 514459440 350 T 514459440 369 T 514459440 370 T 514459440 377 T 514459440 379 T 514459440 380 T 514459440 387 T 514459440 388 T 514459440 395 T 514459440 398 T 514459440 403 T 514459440 419 T 514459440 423 T 514459440 428 T 514459440 436 T 514459440 445 T 514459440 452 T 514459440 456 T 514459440 457 T 514459440 459 T 514459440 461 T 514459440 462 T 514459440 463 T 514459440 464 T 514459440 467 T 514459440 471 T 514459440 475 T 514459440 476 T 514459440 497 T 514459440 498 T 514459440 500 T 514459440 506 T 514459440 507 T 514459440 511 T 514459440 521 T 514459440 530 T 514459440 534 T 514459440 539 T 514459440 550 T 514459440 551 T 514459440 559 T 514459440 568 T 514459440 575 T 514459440 3 T 514459440 21 T 514459440 33 T 514459440 43 T 514459440 51 T 514459440 54 T 514459440 58 T 514459440 64 T 514459440 67 T 514459440 69 T 514459440 71 T 514459440 79 T 514459440 85 T 514459440 96 T 514459440 99 T 514459440 102 T 514459440 122 T 514459440 126 T 514459440 127 T 514459440 130 T 514459440 135 T 514459440 140 T 514459440 142 T 514459440 148 T 514459440 149 T 514459440 154 T 514459440 165 T 514459440 167 T 514459440 168 T 514459440 171 T 514459440 176 T 514459440 179 T 514459440 181 T 514459440 192 T 514459440 197 T 514459440 198 T 514459440 199 T 514459440 201 T 514459440 206 T 514459440 208 T 514459440 209 T 514459440 212 T 514459440 214 T 514459440 215 T 514459440 217 T 514459440 223 T 514459440 227 T 514459440 233 T 514459440 236 T 514459440 242 T 514459440 243 T 514459440 245 T 514459440 260 T 514459440 267 T 514459440 268 T 514459440 276 T 514459440 280 T 514459440 289 T 514459440 292 T 514459440 297 T 514459440 300 T 514459440 302 T 514459440 311 T 514459440 314 T 514459440 322 T 514459440 329 T 514459440 341 T 514459440 343 T 514459440 345 T 514459440 349 T 514459440 357 T 514459440 363 T 514459440 366 T 514459440 368 T 514459440 371 T 514459440 375 T 514459440 385 T 514459440 391 T 514459440 400 T 514459440 402 T 514459440 404 T 514459440 406 T 514459440 409 T 514459440 410 T 514459440 412 T 514459440 415 T 514459440 424 T 514459440 432 T 514459440 433 T 514459440 434 T 514459440 437 T 514459440 442 T 514459440 443 T 514459440 444 T 514459440 446 T 514459440 449 T 514459440 460 T 514459440 469 T 514459440 473 T 514459440 477 T 514459440 487 T 514459440 492 T 514459440 509 T 514459440 512 T 514459440 517 T 514459440 519 T 514459440 523 T 514459440 524 T 514459440 526 T 514459440 528 T 514459440 533 T 514459440 540 T 514459440 541 T 514459440 542 T 514459440 546 T 514459440 548 T 514459440 553 T 514459440 556 T 514459440 558 T 514459440 564 T 514459440 566 T 514459440 572 T 514459440 573 T 514459440 4 T 514459440 7 T 514459440 13 T 514459440 14 T 514459440 18 T 514459440 37 T 514459440 38 T 514459440 48 T 514459440 50 T 514459440 53 T 514459440 56 T 514459440 59 T 514459440 61 T 514459440 65 T 514459440 72 T 514459440 78 T 514459440 86 T 514459440 95 T 514459440 109 T 514459440 112 T 514459440 116 T 514459440 136 T 514459440 156 T 514459440 157 T 514459440 158 T 514459440 160 T 514459440 169 T 514459440 184 T 514459440 187 T 514459440 188 T 514459440 189 T 514459440 190 T 514459440 195 T 514459440 200 T 514459440 202 T 514459440 218 T 514459440 224 T 514459440 225 T 514459440 230 T 514459440 237 T 514459440 248 T 514459440 253 T 514459440 255 T 514459440 263 T 514459440 264 T 514459440 266 T 514459440 274 T 514459440 282 T 514459440 287 T 514459440 293 T 514459440 295 T 514459440 304 T 514459440 309 T 514459440 310 T 514459440 320 T 514459440 328 T 514459440 334 T 514459440 335 T 514459440 339 T 514459440 340 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 514459440 342 T 514459440 348 T 514459440 354 T 514459440 360 T 514459440 365 T 514459440 367 T 514459440 372 T 514459440 381 T 514459440 383 T 514459440 384 T 514459440 392 T 514459440 396 T 514459440 397 T 514459440 401 T 514459440 408 T 514459440 411 T 514459440 417 T 514459440 418 T 514459440 421 T 514459440 422 T 514459440 430 T 514459440 435 T 514459440 458 T 514459440 465 T 514459440 468 T 514459440 470 T 514459440 472 T 514459440 474 T 514459440 480 T 514459440 482 T 514459440 483 T 514459440 488 T 514459440 490 T 514459440 491 T 514459440 494 T 514459440 496 T 514459440 501 T 514459440 502 T 514459440 504 T 514459440 508 T 514459440 516 T 514459440 518 T 514459440 520 T 514459440 525 T 514459440 527 T 514459440 529 T 514459440 532 T 514459440 535 T 514459440 543 T 514459440 555 T 514459440 565 T 514459440 569 T 514459440 570 T 514459440 25 T 514459440 32 T 514459440 42 T 514459440 46 T 514459440 63 T 514459440 80 T 514459440 88 T 514459440 103 T 514459440 105 T 514459440 106 T 514459440 108 T 514459440 139 T 514459440 144 T 514459440 163 T 514459440 170 T 514459440 174 T 514459440 185 T 514459440 239 T 514459440 244 T 514459440 247 T 514459440 249 T 514459440 254 T 514459440 306 T 514459440 313 T 514459440 317 T 514459440 326 T 514459440 332 T 514459440 351 T 514459440 352 T 514459440 361 T 514459440 364 T 514459440 376 T 514459440 382 T 514459440 390 T 514459440 393 T 514459440 399 T 514459440 407 T 514459440 414 T 514459440 425 T 514459440 426 T 514459440 427 T 514459440 431 T 514459440 438 T 514459440 450 T 514459440 451 T 514459440 454 T 514459440 455 T 514459440 466 T 514459440 481 T 514459440 484 T 514459440 485 T 514459440 486 T 514459440 493 T 514459440 495 T 514459440 503 T 514459440 505 T 514459440 514 T 514459440 515 T 514459440 522 T 514459440 531 T 514459440 536 T 514459440 547 T 514459440 549 T 514459440 557 T 514459440 561 T 514459440 562 T 514459440 567 T 514459440 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
