Monday, September 23 2024 17:28:27
UNRES
1.44s
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CTEST_FULL_OUTPUT JESTEM T -980286208 1 T -980286208 5 T -980286208 8 T -980286208 10 T -980286208 11 T -980286208 12 T -980286208 15 T -980286208 16 T -980286208 19 T -980286208 20 T -980286208 22 T -980286208 23 T -980286208 24 T -980286208 26 T -980286208 27 T -980286208 28 T -980286208 30 T -980286208 34 T -980286208 35 T -980286208 36 T -980286208 39 T -980286208 41 T -980286208 44 T -980286208 45 T -980286208 52 T -980286208 60 T -980286208 62 T -980286208 68 T -980286208 73 T -980286208 74 T -980286208 75 T -980286208 76 T -980286208 77 T -980286208 83 T -980286208 87 T -980286208 91 T -980286208 97 T -980286208 98 T -980286208 104 T -980286208 110 T -980286208 111 T -980286208 113 T -980286208 114 T -980286208 115 T -980286208 117 T -980286208 121 T -980286208 124 T -980286208 128 T -980286208 129 T -980286208 134 T -980286208 137 T -980286208 138 T -980286208 141 T -980286208 146 T -980286208 147 T -980286208 151 T -980286208 155 T -980286208 161 T -980286208 164 T -980286208 175 T -980286208 177 T -980286208 178 T -980286208 183 T -980286208 186 T -980286208 193 T -980286208 196 T -980286208 205 T -980286208 211 T -980286208 216 T -980286208 219 T -980286208 220 T -980286208 221 T -980286208 226 T -980286208 229 T -980286208 231 T -980286208 234 T -980286208 238 T -980286208 250 T -980286208 252 T -980286208 257 T -980286208 259 T -980286208 261 T -980286208 265 T -980286208 269 T -980286208 271 T -980286208 277 T -980286208 278 T -980286208 283 T -980286208 291 T -980286208 294 T -980286208 298 T -980286208 299 T -980286208 303 T -980286208 307 T -980286208 312 T -980286208 316 T -980286208 318 T -980286208 319 T -980286208 323 T -980286208 327 T -980286208 331 T -980286208 338 T -980286208 344 T -980286208 346 T -980286208 347 T -980286208 353 T -980286208 355 T -980286208 356 T -980286208 358 T -980286208 359 T -980286208 362 T -980286208 373 T -980286208 374 T -980286208 378 T -980286208 386 T -980286208 389 T -980286208 394 T -980286208 405 T -980286208 413 T -980286208 416 T -980286208 420 T -980286208 429 T -980286208 439 T -980286208 440 T -980286208 441 T -980286208 447 T -980286208 448 T -980286208 453 T -980286208 478 T -980286208 479 T -980286208 489 T -980286208 499 T -980286208 510 T -980286208 513 T -980286208 537 T -980286208 538 T -980286208 544 T -980286208 545 T -980286208 552 T -980286208 554 T -980286208 560 T -980286208 563 T -980286208 571 T -980286208 2 T -980286208 6 T -980286208 9 T -980286208 17 T -980286208 29 T -980286208 31 T -980286208 40 T -980286208 47 T -980286208 49 T -980286208 55 T -980286208 57 T -980286208 66 T -980286208 70 T -980286208 81 T -980286208 82 T -980286208 84 T -980286208 89 T -980286208 90 T -980286208 92 T -980286208 93 T -980286208 94 T -980286208 100 T -980286208 101 T -980286208 107 T -980286208 118 T -980286208 119 T -980286208 120 T -980286208 123 T -980286208 125 T -980286208 131 T -980286208 132 T -980286208 133 T -980286208 143 T -980286208 145 T -980286208 150 T -980286208 152 T -980286208 153 T -980286208 159 T -980286208 162 T -980286208 166 T -980286208 172 T -980286208 173 T -980286208 180 T -980286208 182 T -980286208 191 T -980286208 194 T -980286208 203 T -980286208 204 T -980286208 207 T -980286208 210 T -980286208 213 T -980286208 222 T -980286208 228 T -980286208 232 T -980286208 235 T -980286208 240 T -980286208 241 T -980286208 246 T -980286208 251 T -980286208 256 T -980286208 258 T -980286208 262 T -980286208 270 T -980286208 272 T -980286208 273 T -980286208 275 T -980286208 279 T -980286208 281 T -980286208 284 T -980286208 285 T -980286208 286 T -980286208 288 T -980286208 290 T -980286208 296 T -980286208 301 T -980286208 305 T -980286208 308 T -980286208 315 T -980286208 321 T -980286208 324 T -980286208 325 T -980286208 330 T -980286208 333 T -980286208 336 T -980286208 337 T -980286208 350 T -980286208 369 T -980286208 370 T -980286208 377 T -980286208 379 T -980286208 380 T -980286208 387 T -980286208 388 T -980286208 395 T -980286208 398 T -980286208 403 T -980286208 419 T -980286208 423 T -980286208 428 T -980286208 436 T -980286208 445 T -980286208 452 T -980286208 456 T -980286208 457 T -980286208 459 T -980286208 461 T -980286208 462 T -980286208 463 T -980286208 464 T -980286208 467 T -980286208 471 T -980286208 475 T -980286208 476 T -980286208 497 T -980286208 498 T -980286208 500 T -980286208 506 T -980286208 507 T -980286208 511 T -980286208 521 T -980286208 530 T -980286208 534 T -980286208 539 T -980286208 550 T -980286208 551 T -980286208 559 T -980286208 568 T -980286208 575 T -980286208 3 T -980286208 21 T -980286208 33 T -980286208 43 T -980286208 51 T -980286208 54 T -980286208 58 T -980286208 64 T -980286208 67 T -980286208 69 T -980286208 71 T -980286208 79 T -980286208 85 T -980286208 96 T -980286208 99 T -980286208 102 T -980286208 122 T -980286208 126 T -980286208 127 T -980286208 130 T -980286208 135 T -980286208 140 T -980286208 142 T -980286208 148 T -980286208 149 T -980286208 154 T -980286208 165 T -980286208 167 T -980286208 168 T -980286208 171 T -980286208 176 T -980286208 179 T -980286208 181 T -980286208 192 T -980286208 197 T -980286208 198 T -980286208 199 T -980286208 201 T -980286208 206 T -980286208 208 T -980286208 209 T -980286208 212 T -980286208 214 T -980286208 215 T -980286208 217 T -980286208 223 T -980286208 227 T -980286208 233 T -980286208 236 T -980286208 242 T -980286208 243 T -980286208 245 T -980286208 260 T -980286208 267 T -980286208 268 T -980286208 276 T -980286208 280 T -980286208 289 T -980286208 292 T -980286208 297 T -980286208 300 T -980286208 302 T -980286208 311 T -980286208 314 T -980286208 322 T -980286208 329 T -980286208 341 T -980286208 343 T -980286208 345 T -980286208 349 T -980286208 357 T -980286208 363 T -980286208 366 T -980286208 368 T -980286208 371 T -980286208 375 T -980286208 385 T -980286208 391 T -980286208 400 T -980286208 402 T -980286208 404 T -980286208 406 T -980286208 409 T -980286208 410 T -980286208 412 T -980286208 415 T -980286208 424 T -980286208 432 T -980286208 433 T -980286208 434 T -980286208 437 T -980286208 442 T -980286208 443 T -980286208 444 T -980286208 446 T -980286208 449 T -980286208 460 T -980286208 469 T -980286208 473 T -980286208 477 T -980286208 487 T -980286208 492 T -980286208 509 T -980286208 512 T -980286208 517 T -980286208 519 T -980286208 523 T -980286208 524 T -980286208 526 T -980286208 528 T -980286208 533 T -980286208 540 T -980286208 541 T -980286208 542 T -980286208 546 T -980286208 548 T -980286208 553 T -980286208 556 T -980286208 558 T -980286208 564 T -980286208 566 T -980286208 572 T -980286208 573 T -980286208 4 T -980286208 7 T -980286208 13 T -980286208 14 T -980286208 18 T -980286208 37 T -980286208 38 T -980286208 48 T -980286208 50 T -980286208 53 T -980286208 56 T -980286208 59 T -980286208 61 T -980286208 65 T -980286208 72 T -980286208 78 T -980286208 86 T -980286208 95 T -980286208 109 T -980286208 112 T -980286208 116 T -980286208 136 T -980286208 156 T -980286208 157 T -980286208 158 T -980286208 160 T -980286208 169 T -980286208 184 T -980286208 187 T -980286208 188 T -980286208 189 T -980286208 190 T -980286208 195 T -980286208 200 T -980286208 202 T -980286208 218 T -980286208 224 T -980286208 225 T -980286208 230 T -980286208 237 T -980286208 248 T -980286208 253 T -980286208 255 T -980286208 263 T -980286208 264 T -980286208 266 T -980286208 274 T -980286208 282 T -980286208 287 T -980286208 293 T -980286208 295 T -980286208 304 T -980286208 309 T -980286208 310 T -980286208 320 T -980286208 328 T -980286208 334 T -980286208 335 T -980286208 339 T -980286208 340 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -980286208 342 T -980286208 348 T -980286208 354 T -980286208 360 T -980286208 365 T -980286208 367 T -980286208 372 T -980286208 381 T -980286208 383 T -980286208 384 T -980286208 392 T -980286208 396 T -980286208 397 T -980286208 401 T -980286208 408 T -980286208 411 T -980286208 417 T -980286208 418 T -980286208 421 T -980286208 422 T -980286208 430 T -980286208 435 T -980286208 458 T -980286208 465 T -980286208 468 T -980286208 470 T -980286208 472 T -980286208 474 T -980286208 480 T -980286208 482 T -980286208 483 T -980286208 488 T -980286208 490 T -980286208 491 T -980286208 494 T -980286208 496 T -980286208 501 T -980286208 502 T -980286208 504 T -980286208 508 T -980286208 516 T -980286208 518 T -980286208 520 T -980286208 525 T -980286208 527 T -980286208 529 T -980286208 532 T -980286208 535 T -980286208 543 T -980286208 555 T -980286208 565 T -980286208 569 T -980286208 570 T -980286208 25 T -980286208 32 T -980286208 42 T -980286208 46 T -980286208 63 T -980286208 80 T -980286208 88 T -980286208 103 T -980286208 105 T -980286208 106 T -980286208 108 T -980286208 139 T -980286208 144 T -980286208 163 T -980286208 170 T -980286208 174 T -980286208 185 T -980286208 239 T -980286208 244 T -980286208 247 T -980286208 249 T -980286208 254 T -980286208 306 T -980286208 313 T -980286208 317 T -980286208 326 T -980286208 332 T -980286208 351 T -980286208 352 T -980286208 361 T -980286208 364 T -980286208 376 T -980286208 382 T -980286208 390 T -980286208 393 T -980286208 399 T -980286208 407 T -980286208 414 T -980286208 425 T -980286208 426 T -980286208 427 T -980286208 431 T -980286208 438 T -980286208 450 T -980286208 451 T -980286208 454 T -980286208 455 T -980286208 466 T -980286208 481 T -980286208 484 T -980286208 485 T -980286208 486 T -980286208 493 T -980286208 495 T -980286208 503 T -980286208 505 T -980286208 514 T -980286208 515 T -980286208 522 T -980286208 531 T -980286208 536 T -980286208 547 T -980286208 549 T -980286208 557 T -980286208 561 T -980286208 562 T -980286208 567 T -980286208 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
