Friday, September 20 2024 20:36:32
UNRES
1.27s
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CTEST_FULL_OUTPUT JESTEM T -160438640 1 T -160438640 5 T -160438640 8 T -160438640 10 T -160438640 11 T -160438640 12 T -160438640 15 T -160438640 16 T -160438640 19 T -160438640 20 T -160438640 22 T -160438640 23 T -160438640 24 T -160438640 26 T -160438640 27 T -160438640 28 T -160438640 30 T -160438640 34 T -160438640 35 T -160438640 36 T -160438640 39 T -160438640 41 T -160438640 44 T -160438640 45 T -160438640 52 T -160438640 60 T -160438640 62 T -160438640 68 T -160438640 73 T -160438640 74 T -160438640 75 T -160438640 76 T -160438640 77 T -160438640 83 T -160438640 87 T -160438640 91 T -160438640 97 T -160438640 98 T -160438640 104 T -160438640 110 T -160438640 111 T -160438640 113 T -160438640 114 T -160438640 115 T -160438640 117 T -160438640 121 T -160438640 124 T -160438640 128 T -160438640 129 T -160438640 134 T -160438640 137 T -160438640 138 T -160438640 141 T -160438640 146 T -160438640 147 T -160438640 151 T -160438640 155 T -160438640 161 T -160438640 164 T -160438640 175 T -160438640 177 T -160438640 178 T -160438640 183 T -160438640 186 T -160438640 193 T -160438640 196 T -160438640 205 T -160438640 211 T -160438640 216 T -160438640 219 T -160438640 220 T -160438640 221 T -160438640 226 T -160438640 229 T -160438640 231 T -160438640 234 T -160438640 238 T -160438640 250 T -160438640 252 T -160438640 257 T -160438640 259 T -160438640 261 T -160438640 265 T -160438640 269 T -160438640 271 T -160438640 277 T -160438640 278 T -160438640 283 T -160438640 291 T -160438640 294 T -160438640 298 T -160438640 299 T -160438640 303 T -160438640 307 T -160438640 312 T -160438640 316 T -160438640 318 T -160438640 319 T -160438640 323 T -160438640 327 T -160438640 331 T -160438640 338 T -160438640 344 T -160438640 346 T -160438640 347 T -160438640 353 T -160438640 355 T -160438640 356 T -160438640 358 T -160438640 359 T -160438640 362 T -160438640 373 T -160438640 374 T -160438640 378 T -160438640 386 T -160438640 389 T -160438640 394 T -160438640 405 T -160438640 413 T -160438640 416 T -160438640 420 T -160438640 429 T -160438640 439 T -160438640 440 T -160438640 441 T -160438640 447 T -160438640 448 T -160438640 453 T -160438640 478 T -160438640 479 T -160438640 489 T -160438640 499 T -160438640 510 T -160438640 513 T -160438640 537 T -160438640 538 T -160438640 544 T -160438640 545 T -160438640 552 T -160438640 554 T -160438640 560 T -160438640 563 T -160438640 571 T -160438640 2 T -160438640 6 T -160438640 9 T -160438640 17 T -160438640 29 T -160438640 31 T -160438640 40 T -160438640 47 T -160438640 49 T -160438640 55 T -160438640 57 T -160438640 66 T -160438640 70 T -160438640 81 T -160438640 82 T -160438640 84 T -160438640 89 T -160438640 90 T -160438640 92 T -160438640 93 T -160438640 94 T -160438640 100 T -160438640 101 T -160438640 107 T -160438640 118 T -160438640 119 T -160438640 120 T -160438640 123 T -160438640 125 T -160438640 131 T -160438640 132 T -160438640 133 T -160438640 143 T -160438640 145 T -160438640 150 T -160438640 152 T -160438640 153 T -160438640 159 T -160438640 162 T -160438640 166 T -160438640 172 T -160438640 173 T -160438640 180 T -160438640 182 T -160438640 191 T -160438640 194 T -160438640 203 T -160438640 204 T -160438640 207 T -160438640 210 T -160438640 213 T -160438640 222 T -160438640 228 T -160438640 232 T -160438640 235 T -160438640 240 T -160438640 241 T -160438640 246 T -160438640 251 T -160438640 256 T -160438640 258 T -160438640 262 T -160438640 270 T -160438640 272 T -160438640 273 T -160438640 275 T -160438640 279 T -160438640 281 T -160438640 284 T -160438640 285 T -160438640 286 T -160438640 288 T -160438640 290 T -160438640 296 T -160438640 301 T -160438640 305 T -160438640 308 T -160438640 315 T -160438640 321 T -160438640 324 T -160438640 325 T -160438640 330 T -160438640 333 T -160438640 336 T -160438640 337 T -160438640 350 T -160438640 369 T -160438640 370 T -160438640 377 T -160438640 379 T -160438640 380 T -160438640 387 T -160438640 388 T -160438640 395 T -160438640 398 T -160438640 403 T -160438640 419 T -160438640 423 T -160438640 428 T -160438640 436 T -160438640 445 T -160438640 452 T -160438640 456 T -160438640 457 T -160438640 459 T -160438640 461 T -160438640 462 T -160438640 463 T -160438640 464 T -160438640 467 T -160438640 471 T -160438640 475 T -160438640 476 T -160438640 497 T -160438640 498 T -160438640 500 T -160438640 506 T -160438640 507 T -160438640 511 T -160438640 521 T -160438640 530 T -160438640 534 T -160438640 539 T -160438640 550 T -160438640 551 T -160438640 559 T -160438640 568 T -160438640 575 T -160438640 3 T -160438640 21 T -160438640 33 T -160438640 43 T -160438640 51 T -160438640 54 T -160438640 58 T -160438640 64 T -160438640 67 T -160438640 69 T -160438640 71 T -160438640 79 T -160438640 85 T -160438640 96 T -160438640 99 T -160438640 102 T -160438640 122 T -160438640 126 T -160438640 127 T -160438640 130 T -160438640 135 T -160438640 140 T -160438640 142 T -160438640 148 T -160438640 149 T -160438640 154 T -160438640 165 T -160438640 167 T -160438640 168 T -160438640 171 T -160438640 176 T -160438640 179 T -160438640 181 T -160438640 192 T -160438640 197 T -160438640 198 T -160438640 199 T -160438640 201 T -160438640 206 T -160438640 208 T -160438640 209 T -160438640 212 T -160438640 214 T -160438640 215 T -160438640 217 T -160438640 223 T -160438640 227 T -160438640 233 T -160438640 236 T -160438640 242 T -160438640 243 T -160438640 245 T -160438640 260 T -160438640 267 T -160438640 268 T -160438640 276 T -160438640 280 T -160438640 289 T -160438640 292 T -160438640 297 T -160438640 300 T -160438640 302 T -160438640 311 T -160438640 314 T -160438640 322 T -160438640 329 T -160438640 341 T -160438640 343 T -160438640 345 T -160438640 349 T -160438640 357 T -160438640 363 T -160438640 366 T -160438640 368 T -160438640 371 T -160438640 375 T -160438640 385 T -160438640 391 T -160438640 400 T -160438640 402 T -160438640 404 T -160438640 406 T -160438640 409 T -160438640 410 T -160438640 412 T -160438640 415 T -160438640 424 T -160438640 432 T -160438640 433 T -160438640 434 T -160438640 437 T -160438640 442 T -160438640 443 T -160438640 444 T -160438640 446 T -160438640 449 T -160438640 460 T -160438640 469 T -160438640 473 T -160438640 477 T -160438640 487 T -160438640 492 T -160438640 509 T -160438640 512 T -160438640 517 T -160438640 519 T -160438640 523 T -160438640 524 T -160438640 526 T -160438640 528 T -160438640 533 T -160438640 540 T -160438640 541 T -160438640 542 T -160438640 546 T -160438640 548 T -160438640 553 T -160438640 556 T -160438640 558 T -160438640 564 T -160438640 566 T -160438640 572 T -160438640 573 T -160438640 4 T -160438640 7 T -160438640 13 T -160438640 14 T -160438640 18 T -160438640 37 T -160438640 38 T -160438640 48 T -160438640 50 T -160438640 53 T -160438640 56 T -160438640 59 T -160438640 61 T -160438640 65 T -160438640 72 T -160438640 78 T -160438640 86 T -160438640 95 T -160438640 109 T -160438640 112 T -160438640 116 T -160438640 136 T -160438640 156 T -160438640 157 T -160438640 158 T -160438640 160 T -160438640 169 T -160438640 184 T -160438640 187 T -160438640 188 T -160438640 189 T -160438640 190 T -160438640 195 T -160438640 200 T -160438640 202 T -160438640 218 T -160438640 224 T -160438640 225 T -160438640 230 T -160438640 237 T -160438640 248 T -160438640 253 T -160438640 255 T -160438640 263 T -160438640 264 T -160438640 266 T -160438640 274 T -160438640 282 T -160438640 287 T -160438640 293 T -160438640 295 T -160438640 304 T -160438640 309 T -160438640 310 T -160438640 320 T -160438640 328 T -160438640 334 T -160438640 335 T -160438640 339 T -160438640 340 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -160438640 342 T -160438640 348 T -160438640 354 T -160438640 360 T -160438640 365 T -160438640 367 T -160438640 372 T -160438640 381 T -160438640 383 T -160438640 384 T -160438640 392 T -160438640 396 T -160438640 397 T -160438640 401 T -160438640 408 T -160438640 411 T -160438640 417 T -160438640 418 T -160438640 421 T -160438640 422 T -160438640 430 T -160438640 435 T -160438640 458 T -160438640 465 T -160438640 468 T -160438640 470 T -160438640 472 T -160438640 474 T -160438640 480 T -160438640 482 T -160438640 483 T -160438640 488 T -160438640 490 T -160438640 491 T -160438640 494 T -160438640 496 T -160438640 501 T -160438640 502 T -160438640 504 T -160438640 508 T -160438640 516 T -160438640 518 T -160438640 520 T -160438640 525 T -160438640 527 T -160438640 529 T -160438640 532 T -160438640 535 T -160438640 543 T -160438640 555 T -160438640 565 T -160438640 569 T -160438640 570 T -160438640 25 T -160438640 32 T -160438640 42 T -160438640 46 T -160438640 63 T -160438640 80 T -160438640 88 T -160438640 103 T -160438640 105 T -160438640 106 T -160438640 108 T -160438640 139 T -160438640 144 T -160438640 163 T -160438640 170 T -160438640 174 T -160438640 185 T -160438640 239 T -160438640 244 T -160438640 247 T -160438640 249 T -160438640 254 T -160438640 306 T -160438640 313 T -160438640 317 T -160438640 326 T -160438640 332 T -160438640 351 T -160438640 352 T -160438640 361 T -160438640 364 T -160438640 376 T -160438640 382 T -160438640 390 T -160438640 393 T -160438640 399 T -160438640 407 T -160438640 414 T -160438640 425 T -160438640 426 T -160438640 427 T -160438640 431 T -160438640 438 T -160438640 450 T -160438640 451 T -160438640 454 T -160438640 455 T -160438640 466 T -160438640 481 T -160438640 484 T -160438640 485 T -160438640 486 T -160438640 493 T -160438640 495 T -160438640 503 T -160438640 505 T -160438640 514 T -160438640 515 T -160438640 522 T -160438640 531 T -160438640 536 T -160438640 547 T -160438640 549 T -160438640 557 T -160438640 561 T -160438640 562 T -160438640 567 T -160438640 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
