Friday, September 20 2024 12:49:28
UNRES
0.82s
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CTEST_FULL_OUTPUT JESTEM T 905313232 1 T 905313232 5 T 905313232 8 T 905313232 10 T 905313232 11 T 905313232 12 T 905313232 15 T 905313232 16 T 905313232 19 T 905313232 20 T 905313232 22 T 905313232 23 T 905313232 24 T 905313232 26 T 905313232 27 T 905313232 28 T 905313232 30 T 905313232 34 T 905313232 35 T 905313232 36 T 905313232 39 T 905313232 41 T 905313232 44 T 905313232 45 T 905313232 52 T 905313232 60 T 905313232 62 T 905313232 68 T 905313232 73 T 905313232 74 T 905313232 75 T 905313232 76 T 905313232 77 T 905313232 83 T 905313232 87 T 905313232 91 T 905313232 97 T 905313232 98 T 905313232 104 T 905313232 110 T 905313232 111 T 905313232 113 T 905313232 114 T 905313232 115 T 905313232 117 T 905313232 121 T 905313232 124 T 905313232 128 T 905313232 129 T 905313232 134 T 905313232 137 T 905313232 138 T 905313232 141 T 905313232 146 T 905313232 147 T 905313232 151 T 905313232 155 T 905313232 161 T 905313232 164 T 905313232 175 T 905313232 177 T 905313232 178 T 905313232 183 T 905313232 186 T 905313232 193 T 905313232 196 T 905313232 205 T 905313232 211 T 905313232 216 T 905313232 219 T 905313232 220 T 905313232 221 T 905313232 226 T 905313232 229 T 905313232 231 T 905313232 234 T 905313232 238 T 905313232 250 T 905313232 252 T 905313232 257 T 905313232 259 T 905313232 261 T 905313232 265 T 905313232 269 T 905313232 271 T 905313232 277 T 905313232 278 T 905313232 283 T 905313232 291 T 905313232 294 T 905313232 298 T 905313232 299 T 905313232 303 T 905313232 307 T 905313232 312 T 905313232 316 T 905313232 318 T 905313232 319 T 905313232 323 T 905313232 327 T 905313232 331 T 905313232 338 T 905313232 344 T 905313232 346 T 905313232 347 T 905313232 353 T 905313232 355 T 905313232 356 T 905313232 358 T 905313232 359 T 905313232 362 T 905313232 373 T 905313232 374 T 905313232 378 T 905313232 386 T 905313232 389 T 905313232 394 T 905313232 405 T 905313232 413 T 905313232 416 T 905313232 420 T 905313232 429 T 905313232 439 T 905313232 440 T 905313232 441 T 905313232 447 T 905313232 448 T 905313232 453 T 905313232 478 T 905313232 479 T 905313232 489 T 905313232 499 T 905313232 510 T 905313232 513 T 905313232 537 T 905313232 538 T 905313232 544 T 905313232 545 T 905313232 552 T 905313232 554 T 905313232 560 T 905313232 563 T 905313232 571 T 905313232 2 T 905313232 6 T 905313232 9 T 905313232 17 T 905313232 29 T 905313232 31 T 905313232 40 T 905313232 47 T 905313232 49 T 905313232 55 T 905313232 57 T 905313232 66 T 905313232 70 T 905313232 81 T 905313232 82 T 905313232 84 T 905313232 89 T 905313232 90 T 905313232 92 T 905313232 93 T 905313232 94 T 905313232 100 T 905313232 101 T 905313232 107 T 905313232 118 T 905313232 119 T 905313232 120 T 905313232 123 T 905313232 125 T 905313232 131 T 905313232 132 T 905313232 133 T 905313232 143 T 905313232 145 T 905313232 150 T 905313232 152 T 905313232 153 T 905313232 159 T 905313232 162 T 905313232 166 T 905313232 172 T 905313232 173 T 905313232 180 T 905313232 182 T 905313232 191 T 905313232 194 T 905313232 203 T 905313232 204 T 905313232 207 T 905313232 210 T 905313232 213 T 905313232 222 T 905313232 228 T 905313232 232 T 905313232 235 T 905313232 240 T 905313232 241 T 905313232 246 T 905313232 251 T 905313232 256 T 905313232 258 T 905313232 262 T 905313232 270 T 905313232 272 T 905313232 273 T 905313232 275 T 905313232 279 T 905313232 281 T 905313232 284 T 905313232 285 T 905313232 286 T 905313232 288 T 905313232 290 T 905313232 296 T 905313232 301 T 905313232 305 T 905313232 308 T 905313232 315 T 905313232 321 T 905313232 324 T 905313232 325 T 905313232 330 T 905313232 333 T 905313232 336 T 905313232 337 T 905313232 350 T 905313232 369 T 905313232 370 T 905313232 377 T 905313232 379 T 905313232 380 T 905313232 387 T 905313232 388 T 905313232 395 T 905313232 398 T 905313232 403 T 905313232 419 T 905313232 423 T 905313232 428 T 905313232 436 T 905313232 445 T 905313232 452 T 905313232 456 T 905313232 457 T 905313232 459 T 905313232 461 T 905313232 462 T 905313232 463 T 905313232 464 T 905313232 467 T 905313232 471 T 905313232 475 T 905313232 476 T 905313232 497 T 905313232 498 T 905313232 500 T 905313232 506 T 905313232 507 T 905313232 511 T 905313232 521 T 905313232 530 T 905313232 534 T 905313232 539 T 905313232 550 T 905313232 551 T 905313232 559 T 905313232 568 T 905313232 575 T 905313232 3 T 905313232 21 T 905313232 33 T 905313232 43 T 905313232 51 T 905313232 54 T 905313232 58 T 905313232 64 T 905313232 67 T 905313232 69 T 905313232 71 T 905313232 79 T 905313232 85 T 905313232 96 T 905313232 99 T 905313232 102 T 905313232 122 T 905313232 126 T 905313232 127 T 905313232 130 T 905313232 135 T 905313232 140 T 905313232 142 T 905313232 148 T 905313232 149 T 905313232 154 T 905313232 165 T 905313232 167 T 905313232 168 T 905313232 171 T 905313232 176 T 905313232 179 T 905313232 181 T 905313232 192 T 905313232 197 T 905313232 198 T 905313232 199 T 905313232 201 T 905313232 206 T 905313232 208 T 905313232 209 T 905313232 212 T 905313232 214 T 905313232 215 T 905313232 217 T 905313232 223 T 905313232 227 T 905313232 233 T 905313232 236 T 905313232 242 T 905313232 243 T 905313232 245 T 905313232 260 T 905313232 267 T 905313232 268 T 905313232 276 T 905313232 280 T 905313232 289 T 905313232 292 T 905313232 297 T 905313232 300 T 905313232 302 T 905313232 311 T 905313232 314 T 905313232 322 T 905313232 329 T 905313232 341 T 905313232 343 T 905313232 345 T 905313232 349 T 905313232 357 T 905313232 363 T 905313232 366 T 905313232 368 T 905313232 371 T 905313232 375 T 905313232 385 T 905313232 391 T 905313232 400 T 905313232 402 T 905313232 404 T 905313232 406 T 905313232 409 T 905313232 410 T 905313232 412 T 905313232 415 T 905313232 424 T 905313232 432 T 905313232 433 T 905313232 434 T 905313232 437 T 905313232 442 T 905313232 443 T 905313232 444 T 905313232 446 T 905313232 449 T 905313232 460 T 905313232 469 T 905313232 473 T 905313232 477 T 905313232 487 T 905313232 492 T 905313232 509 T 905313232 512 T 905313232 517 T 905313232 519 T 905313232 523 T 905313232 524 T 905313232 526 T 905313232 528 T 905313232 533 T 905313232 540 T 905313232 541 T 905313232 542 T 905313232 546 T 905313232 548 T 905313232 553 T 905313232 556 T 905313232 558 T 905313232 564 T 905313232 566 T 905313232 572 T 905313232 573 T 905313232 4 T 905313232 7 T 905313232 13 T 905313232 14 T 905313232 18 T 905313232 37 T 905313232 38 T 905313232 48 T 905313232 50 T 905313232 53 T 905313232 56 T 905313232 59 T 905313232 61 T 905313232 65 T 905313232 72 T 905313232 78 T 905313232 86 T 905313232 95 T 905313232 109 T 905313232 112 T 905313232 116 T 905313232 136 T 905313232 156 T 905313232 157 T 905313232 158 T 905313232 160 T 905313232 169 T 905313232 184 T 905313232 187 T 905313232 188 T 905313232 189 T 905313232 190 T 905313232 195 T 905313232 200 T 905313232 202 T 905313232 218 T 905313232 224 T 905313232 225 T 905313232 230 T 905313232 237 T 905313232 248 T 905313232 253 T 905313232 255 T 905313232 263 T 905313232 264 T 905313232 266 T 905313232 274 T 905313232 282 T 905313232 287 T 905313232 293 T 905313232 295 T 905313232 304 T 905313232 309 T 905313232 310 T 905313232 320 T 905313232 328 T 905313232 334 T 905313232 335 T 905313232 339 T 905313232 340 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 905313232 342 T 905313232 348 T 905313232 354 T 905313232 360 T 905313232 365 T 905313232 367 T 905313232 372 T 905313232 381 T 905313232 383 T 905313232 384 T 905313232 392 T 905313232 396 T 905313232 397 T 905313232 401 T 905313232 408 T 905313232 411 T 905313232 417 T 905313232 418 T 905313232 421 T 905313232 422 T 905313232 430 T 905313232 435 T 905313232 458 T 905313232 465 T 905313232 468 T 905313232 470 T 905313232 472 T 905313232 474 T 905313232 480 T 905313232 482 T 905313232 483 T 905313232 488 T 905313232 490 T 905313232 491 T 905313232 494 T 905313232 496 T 905313232 501 T 905313232 502 T 905313232 504 T 905313232 508 T 905313232 516 T 905313232 518 T 905313232 520 T 905313232 525 T 905313232 527 T 905313232 529 T 905313232 532 T 905313232 535 T 905313232 543 T 905313232 555 T 905313232 565 T 905313232 569 T 905313232 570 T 905313232 25 T 905313232 32 T 905313232 42 T 905313232 46 T 905313232 63 T 905313232 80 T 905313232 88 T 905313232 103 T 905313232 105 T 905313232 106 T 905313232 108 T 905313232 139 T 905313232 144 T 905313232 163 T 905313232 170 T 905313232 174 T 905313232 185 T 905313232 239 T 905313232 244 T 905313232 247 T 905313232 249 T 905313232 254 T 905313232 306 T 905313232 313 T 905313232 317 T 905313232 326 T 905313232 332 T 905313232 351 T 905313232 352 T 905313232 361 T 905313232 364 T 905313232 376 T 905313232 382 T 905313232 390 T 905313232 393 T 905313232 399 T 905313232 407 T 905313232 414 T 905313232 425 T 905313232 426 T 905313232 427 T 905313232 431 T 905313232 438 T 905313232 450 T 905313232 451 T 905313232 454 T 905313232 455 T 905313232 466 T 905313232 481 T 905313232 484 T 905313232 485 T 905313232 486 T 905313232 493 T 905313232 495 T 905313232 503 T 905313232 505 T 905313232 514 T 905313232 515 T 905313232 522 T 905313232 531 T 905313232 536 T 905313232 547 T 905313232 549 T 905313232 557 T 905313232 561 T 905313232 562 T 905313232 567 T 905313232 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
