Saturday, September 21 2024 14:50:11
UNRES
0.85s
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CTEST_FULL_OUTPUT JESTEM T 922401232 1 T 922401232 5 T 922401232 8 T 922401232 10 T 922401232 11 T 922401232 12 T 922401232 15 T 922401232 16 T 922401232 19 T 922401232 20 T 922401232 22 T 922401232 23 T 922401232 24 T 922401232 26 T 922401232 27 T 922401232 28 T 922401232 30 T 922401232 34 T 922401232 35 T 922401232 36 T 922401232 39 T 922401232 41 T 922401232 44 T 922401232 45 T 922401232 52 T 922401232 60 T 922401232 62 T 922401232 68 T 922401232 73 T 922401232 74 T 922401232 75 T 922401232 76 T 922401232 77 T 922401232 83 T 922401232 87 T 922401232 91 T 922401232 97 T 922401232 98 T 922401232 104 T 922401232 110 T 922401232 111 T 922401232 113 T 922401232 114 T 922401232 115 T 922401232 117 T 922401232 121 T 922401232 124 T 922401232 128 T 922401232 129 T 922401232 134 T 922401232 137 T 922401232 138 T 922401232 141 T 922401232 146 T 922401232 147 T 922401232 151 T 922401232 155 T 922401232 161 T 922401232 164 T 922401232 175 T 922401232 177 T 922401232 178 T 922401232 183 T 922401232 186 T 922401232 193 T 922401232 196 T 922401232 205 T 922401232 211 T 922401232 216 T 922401232 219 T 922401232 220 T 922401232 221 T 922401232 226 T 922401232 229 T 922401232 231 T 922401232 234 T 922401232 238 T 922401232 250 T 922401232 252 T 922401232 257 T 922401232 259 T 922401232 261 T 922401232 265 T 922401232 269 T 922401232 271 T 922401232 277 T 922401232 278 T 922401232 283 T 922401232 291 T 922401232 294 T 922401232 298 T 922401232 299 T 922401232 303 T 922401232 307 T 922401232 312 T 922401232 316 T 922401232 318 T 922401232 319 T 922401232 323 T 922401232 327 T 922401232 331 T 922401232 338 T 922401232 344 T 922401232 346 T 922401232 347 T 922401232 353 T 922401232 355 T 922401232 356 T 922401232 358 T 922401232 359 T 922401232 362 T 922401232 373 T 922401232 374 T 922401232 378 T 922401232 386 T 922401232 389 T 922401232 394 T 922401232 405 T 922401232 413 T 922401232 416 T 922401232 420 T 922401232 429 T 922401232 439 T 922401232 440 T 922401232 441 T 922401232 447 T 922401232 448 T 922401232 453 T 922401232 478 T 922401232 479 T 922401232 489 T 922401232 499 T 922401232 510 T 922401232 513 T 922401232 537 T 922401232 538 T 922401232 544 T 922401232 545 T 922401232 552 T 922401232 554 T 922401232 560 T 922401232 563 T 922401232 571 T 922401232 2 T 922401232 6 T 922401232 9 T 922401232 17 T 922401232 29 T 922401232 31 T 922401232 40 T 922401232 47 T 922401232 49 T 922401232 55 T 922401232 57 T 922401232 66 T 922401232 70 T 922401232 81 T 922401232 82 T 922401232 84 T 922401232 89 T 922401232 90 T 922401232 92 T 922401232 93 T 922401232 94 T 922401232 100 T 922401232 101 T 922401232 107 T 922401232 118 T 922401232 119 T 922401232 120 T 922401232 123 T 922401232 125 T 922401232 131 T 922401232 132 T 922401232 133 T 922401232 143 T 922401232 145 T 922401232 150 T 922401232 152 T 922401232 153 T 922401232 159 T 922401232 162 T 922401232 166 T 922401232 172 T 922401232 173 T 922401232 180 T 922401232 182 T 922401232 191 T 922401232 194 T 922401232 203 T 922401232 204 T 922401232 207 T 922401232 210 T 922401232 213 T 922401232 222 T 922401232 228 T 922401232 232 T 922401232 235 T 922401232 240 T 922401232 241 T 922401232 246 T 922401232 251 T 922401232 256 T 922401232 258 T 922401232 262 T 922401232 270 T 922401232 272 T 922401232 273 T 922401232 275 T 922401232 279 T 922401232 281 T 922401232 284 T 922401232 285 T 922401232 286 T 922401232 288 T 922401232 290 T 922401232 296 T 922401232 301 T 922401232 305 T 922401232 308 T 922401232 315 T 922401232 321 T 922401232 324 T 922401232 325 T 922401232 330 T 922401232 333 T 922401232 336 T 922401232 337 T 922401232 350 T 922401232 369 T 922401232 370 T 922401232 377 T 922401232 379 T 922401232 380 T 922401232 387 T 922401232 388 T 922401232 395 T 922401232 398 T 922401232 403 T 922401232 419 T 922401232 423 T 922401232 428 T 922401232 436 T 922401232 445 T 922401232 452 T 922401232 456 T 922401232 457 T 922401232 459 T 922401232 461 T 922401232 462 T 922401232 463 T 922401232 464 T 922401232 467 T 922401232 471 T 922401232 475 T 922401232 476 T 922401232 497 T 922401232 498 T 922401232 500 T 922401232 506 T 922401232 507 T 922401232 511 T 922401232 521 T 922401232 530 T 922401232 534 T 922401232 539 T 922401232 550 T 922401232 551 T 922401232 559 T 922401232 568 T 922401232 575 T 922401232 3 T 922401232 21 T 922401232 33 T 922401232 43 T 922401232 51 T 922401232 54 T 922401232 58 T 922401232 64 T 922401232 67 T 922401232 69 T 922401232 71 T 922401232 79 T 922401232 85 T 922401232 96 T 922401232 99 T 922401232 102 T 922401232 122 T 922401232 126 T 922401232 127 T 922401232 130 T 922401232 135 T 922401232 140 T 922401232 142 T 922401232 148 T 922401232 149 T 922401232 154 T 922401232 165 T 922401232 167 T 922401232 168 T 922401232 171 T 922401232 176 T 922401232 179 T 922401232 181 T 922401232 192 T 922401232 197 T 922401232 198 T 922401232 199 T 922401232 201 T 922401232 206 T 922401232 208 T 922401232 209 T 922401232 212 T 922401232 214 T 922401232 215 T 922401232 217 T 922401232 223 T 922401232 227 T 922401232 233 T 922401232 236 T 922401232 242 T 922401232 243 T 922401232 245 T 922401232 260 T 922401232 267 T 922401232 268 T 922401232 276 T 922401232 280 T 922401232 289 T 922401232 292 T 922401232 297 T 922401232 300 T 922401232 302 T 922401232 311 T 922401232 314 T 922401232 322 T 922401232 329 T 922401232 341 T 922401232 343 T 922401232 345 T 922401232 349 T 922401232 357 T 922401232 363 T 922401232 366 T 922401232 368 T 922401232 371 T 922401232 375 T 922401232 385 T 922401232 391 T 922401232 400 T 922401232 402 T 922401232 404 T 922401232 406 T 922401232 409 T 922401232 410 T 922401232 412 T 922401232 415 T 922401232 424 T 922401232 432 T 922401232 433 T 922401232 434 T 922401232 437 T 922401232 442 T 922401232 443 T 922401232 444 T 922401232 446 T 922401232 449 T 922401232 460 T 922401232 469 T 922401232 473 T 922401232 477 T 922401232 487 T 922401232 492 T 922401232 509 T 922401232 512 T 922401232 517 T 922401232 519 T 922401232 523 T 922401232 524 T 922401232 526 T 922401232 528 T 922401232 533 T 922401232 540 T 922401232 541 T 922401232 542 T 922401232 546 T 922401232 548 T 922401232 553 T 922401232 556 T 922401232 558 T 922401232 564 T 922401232 566 T 922401232 572 T 922401232 573 T 922401232 4 T 922401232 7 T 922401232 13 T 922401232 14 T 922401232 18 T 922401232 37 T 922401232 38 T 922401232 48 T 922401232 50 T 922401232 53 T 922401232 56 T 922401232 59 T 922401232 61 T 922401232 65 T 922401232 72 T 922401232 78 T 922401232 86 T 922401232 95 T 922401232 109 T 922401232 112 T 922401232 116 T 922401232 136 T 922401232 156 T 922401232 157 T 922401232 158 T 922401232 160 T 922401232 169 T 922401232 184 T 922401232 187 T 922401232 188 T 922401232 189 T 922401232 190 T 922401232 195 T 922401232 200 T 922401232 202 T 922401232 218 T 922401232 224 T 922401232 225 T 922401232 230 T 922401232 237 T 922401232 248 T 922401232 253 T 922401232 255 T 922401232 263 T 922401232 264 T 922401232 266 T 922401232 274 T 922401232 282 T 922401232 287 T 922401232 293 T 922401232 295 T 922401232 304 T 922401232 309 T 922401232 310 T 922401232 320 T 922401232 328 T 922401232 334 T 922401232 335 T 922401232 339 T 922401232 340 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 922401232 342 T 922401232 348 T 922401232 354 T 922401232 360 T 922401232 365 T 922401232 367 T 922401232 372 T 922401232 381 T 922401232 383 T 922401232 384 T 922401232 392 T 922401232 396 T 922401232 397 T 922401232 401 T 922401232 408 T 922401232 411 T 922401232 417 T 922401232 418 T 922401232 421 T 922401232 422 T 922401232 430 T 922401232 435 T 922401232 458 T 922401232 465 T 922401232 468 T 922401232 470 T 922401232 472 T 922401232 474 T 922401232 480 T 922401232 482 T 922401232 483 T 922401232 488 T 922401232 490 T 922401232 491 T 922401232 494 T 922401232 496 T 922401232 501 T 922401232 502 T 922401232 504 T 922401232 508 T 922401232 516 T 922401232 518 T 922401232 520 T 922401232 525 T 922401232 527 T 922401232 529 T 922401232 532 T 922401232 535 T 922401232 543 T 922401232 555 T 922401232 565 T 922401232 569 T 922401232 570 T 922401232 25 T 922401232 32 T 922401232 42 T 922401232 46 T 922401232 63 T 922401232 80 T 922401232 88 T 922401232 103 T 922401232 105 T 922401232 106 T 922401232 108 T 922401232 139 T 922401232 144 T 922401232 163 T 922401232 170 T 922401232 174 T 922401232 185 T 922401232 239 T 922401232 244 T 922401232 247 T 922401232 249 T 922401232 254 T 922401232 306 T 922401232 313 T 922401232 317 T 922401232 326 T 922401232 332 T 922401232 351 T 922401232 352 T 922401232 361 T 922401232 364 T 922401232 376 T 922401232 382 T 922401232 390 T 922401232 393 T 922401232 399 T 922401232 407 T 922401232 414 T 922401232 425 T 922401232 426 T 922401232 427 T 922401232 431 T 922401232 438 T 922401232 450 T 922401232 451 T 922401232 454 T 922401232 455 T 922401232 466 T 922401232 481 T 922401232 484 T 922401232 485 T 922401232 486 T 922401232 493 T 922401232 495 T 922401232 503 T 922401232 505 T 922401232 514 T 922401232 515 T 922401232 522 T 922401232 531 T 922401232 536 T 922401232 547 T 922401232 549 T 922401232 557 T 922401232 561 T 922401232 562 T 922401232 567 T 922401232 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
