Friday, September 20 2024 10:35:02
UNRES
1.83s
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CTEST_FULL_OUTPUT T 415234112 4 T 415234112 5 T 415234112 11 T 415234112 13 T 415234112 14 T 415234112 24 T 415234112 27 T 415234112 34 T 415234112 35 T 415234112 36 T 415234112 38 T 415234112 40 T 415234112 41 T 415234112 42 T 415234112 44 T 415234112 45 T 415234112 52 T 415234112 53 T 415234112 54 T 415234112 55 T 415234112 58 T 415234112 59 T 415234112 68 T 415234112 70 T 415234112 71 T 415234112 72 T 415234112 77 T 415234112 78 T 415234112 79 T 415234112 87 T 415234112 89 T 415234112 90 T 415234112 100 T 415234112 102 T 415234112 103 T 415234112 106 T 415234112 111 T 415234112 120 T 415234112 124 T 415234112 127 T 415234112 129 T 415234112 131 T 415234112 142 T 415234112 145 T 415234112 146 T 415234112 151 T 415234112 152 T 415234112 154 T 415234112 157 T 415234112 160 T 415234112 165 T 415234112 167 T 415234112 168 T 415234112 173 T 415234112 174 T 415234112 175 T 415234112 177 T 415234112 181 T 415234112 185 T 415234112 194 T 415234112 195 T 415234112 197 T 415234112 201 T 415234112 203 T 415234112 204 T 415234112 206 T 415234112 213 T 415234112 216 T 415234112 220 T 415234112 222 T 415234112 223 T 415234112 235 T 415234112 236 T 415234112 237 T 415234112 239 T 415234112 248 T 415234112 250 T 415234112 252 T 415234112 254 T 415234112 256 T 415234112 263 T 415234112 265 T 415234112 266 T 415234112 270 T 415234112 271 T 415234112 274 T 415234112 277 T 415234112 283 T 415234112 286 T 415234112 288 T 415234112 292 T 415234112 294 T 415234112 295 T 415234112 300 T 415234112 301 T 415234112 302 T 415234112 303 T 415234112 305 T 415234112 306 T 415234112 311 T 415234112 312 T 415234112 315 T 415234112 317 T 415234112 319 T 415234112 321 T 415234112 322 T 415234112 325 T 415234112 331 T 415234112 339 T 415234112 342 T 415234112 352 T 415234112 358 T 415234112 361 T 415234112 368 T 415234112 372 T 415234112 373 T 415234112 375 T 415234112 376 T 415234112 384 T 415234112 386 T 415234112 387 T 415234112 388 T 415234112 394 T 415234112 399 T 415234112 400 T 415234112 401 T 415234112 403 T 415234112 404 T 415234112 407 T 415234112 408 T 415234112 409 T 415234112 411 T 415234112 412 T 415234112 414 T 415234112 416 T 415234112 418 T 415234112 421 T 415234112 422 T 415234112 423 T 415234112 425 T 415234112 428 T 415234112 430 T 415234112 433 T 415234112 434 T 415234112 436 T 415234112 437 T 415234112 447 T 415234112 450 T 415234112 453 T 415234112 457 T 415234112 458 T 415234112 460 T 415234112 461 T 415234112 464 T 415234112 465 T 415234112 466 T 415234112 468 T 415234112 469 T 415234112 470 T 415234112 472 T 415234112 473 T 415234112 474 T 415234112 475 T 415234112 476 T 415234112 477 T 415234112 478 T 415234112 480 T 415234112 483 T 415234112 487 T 415234112 488 T 415234112 489 T 415234112 492 T 415234112 493 T 415234112 494 T 415234112 499 T 415234112 500 T 415234112 502 T 415234112 503 T 415234112 504 T 415234112 505 T 415234112 506 T 415234112 508 T 415234112 510 T 415234112 512 T 415234112 516 T 415234112 517 T 415234112 518 T 415234112 519 T 415234112 520 T 415234112 526 T 415234112 528 T 415234112 529 T 415234112 530 T 415234112 531 T 415234112 532 T 415234112 534 T 415234112 541 T 415234112 542 T 415234112 545 T 415234112 547 T 415234112 551 T 415234112 555 T 415234112 2 T 415234112 6 T 415234112 8 T 415234112 9 T 415234112 12 T 415234112 20 T 415234112 31 T 415234112 33 T 415234112 43 T 415234112 46 T 415234112 47 T 415234112 49 T 415234112 51 T 415234112 56 T 415234112 60 T 415234112 61 T 415234112 62 T 415234112 66 T 415234112 69 T 415234112 76 T 415234112 80 T 415234112 81 T 415234112 82 T 415234112 83 T 415234112 84 T 415234112 85 T 415234112 86 T 415234112 88 T 415234112 91 T 415234112 93 T 415234112 94 T 415234112 95 T 415234112 97 T 415234112 98 T 415234112 105 T 415234112 113 T 415234112 115 T 415234112 118 T 415234112 119 T 415234112 122 T 415234112 128 T 415234112 132 T 415234112 134 T 415234112 138 T 415234112 140 T 415234112 141 T 415234112 143 T 415234112 149 T 415234112 155 T 415234112 156 T 415234112 158 T 415234112 161 T 415234112 162 T 415234112 163 T 415234112 164 T 415234112 166 T 415234112 169 T 415234112 171 T 415234112 178 T 415234112 179 T 415234112 180 T 415234112 182 T 415234112 184 T 415234112 186 T 415234112 187 T 415234112 188 T 415234112 189 T 415234112 190 T 415234112 191 T 415234112 192 T 415234112 196 T 415234112 200 T 415234112 205 T 415234112 207 T 415234112 214 T 415234112 215 T 415234112 219 T 415234112 224 T 415234112 225 T 415234112 227 T 415234112 231 T 415234112 234 T 415234112 238 T 415234112 241 T 415234112 247 T 415234112 249 T 415234112 257 T 415234112 258 T 415234112 259 T 415234112 261 T 415234112 268 T 415234112 273 T 415234112 275 T 415234112 276 T 415234112 278 T 415234112 279 T 415234112 280 T 415234112 284 T 415234112 289 T 415234112 298 T 415234112 309 T 415234112 320 T 415234112 323 T 415234112 324 T 415234112 327 T 415234112 329 T 415234112 332 T 415234112 333 T 415234112 334 T 415234112 335 T 415234112 341 T 415234112 344 T 415234112 347 T 415234112 348 T 415234112 350 T 415234112 351 T 415234112 353 T 415234112 354 T 415234112 356 T 415234112 362 T 415234112 364 T 415234112 369 T 415234112 370 T 415234112 374 T 415234112 378 T 415234112 379 T 415234112 380 T 415234112 381 T 415234112 383 T 415234112 391 T 415234112 392 T 415234112 393 T 415234112 395 T 415234112 396 T 415234112 397 T 415234112 398 T 415234112 402 T 415234112 405 T 415234112 441 T 415234112 442 T 415234112 452 T 415234112 462 T 415234112 463 T 415234112 486 T 415234112 511 T 415234112 524 T 415234112 549 T 415234112 553 T 415234112 3 T 415234112 7 T 415234112 10 T 415234112 15 T 415234112 17 T 415234112 18 T 415234112 19 T 415234112 22 T 415234112 25 T 415234112 26 T 415234112 28 T 415234112 29 T 415234112 37 T 415234112 39 T 415234112 48 T 415234112 63 T 415234112 64 T 415234112 65 T 415234112 67 T 415234112 74 T 415234112 99 T 415234112 104 T 415234112 108 T 415234112 109 T 415234112 112 T 415234112 114 T 415234112 125 T 415234112 126 T 415234112 130 T 415234112 135 T 415234112 137 T 415234112 139 T 415234112 144 T 415234112 147 T 415234112 148 T 415234112 150 T 415234112 159 T 415234112 176 T 415234112 183 T 415234112 193 T 415234112 198 T 415234112 202 T 415234112 209 T 415234112 210 T 415234112 211 T 415234112 212 T 415234112 228 T 415234112 232 T 415234112 233 T 415234112 243 T 415234112 244 T 415234112 251 T 415234112 260 T 415234112 262 T 415234112 290 T 415234112 297 T 415234112 307 T 415234112 313 T 415234112 337 T 415234112 340 T 415234112 346 T 415234112 363 T 415234112 382 T 415234112 385 T 415234112 389 T 415234112 390 T 415234112 413 T 415234112 427 T 415234112 429 T 415234112 435 T 415234112 439 T 415234112 445 T 415234112 448 T 415234112 451 T 415234112 454 T 415234112 455 T 415234112 479 T 415234112 481 T 415234112 495 T 415234112 497 T 415234112 507 T 415234112 509 T 415234112 514 T 415234112 536 T 415234112 539 T 415234112 543 T 415234112 16 T 415234112 21 T 415234112 30 T 415234112 32 T 415234112 57 T 415234112 73 T 415234112 75 T 415234112 92 T 415234112 96 T 415234112 107 T 415234112 110 T 415234112 116 T 415234112 117 T 415234112 121 T 415234112 123 T 415234112 133 T 415234112 136 T 415234112 153 T 415234112 170 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 415234112 172 T 415234112 199 T 415234112 208 T 415234112 218 T 415234112 221 T 415234112 226 T 415234112 229 T 415234112 230 T 415234112 240 T 415234112 242 T 415234112 245 T 415234112 246 T 415234112 253 T 415234112 255 T 415234112 264 T 415234112 267 T 415234112 269 T 415234112 281 T 415234112 282 T 415234112 285 T 415234112 287 T 415234112 291 T 415234112 293 T 415234112 296 T 415234112 304 T 415234112 308 T 415234112 310 T 415234112 314 T 415234112 316 T 415234112 318 T 415234112 326 T 415234112 328 T 415234112 330 T 415234112 338 T 415234112 343 T 415234112 345 T 415234112 349 T 415234112 355 T 415234112 359 T 415234112 360 T 415234112 366 T 415234112 367 T 415234112 377 T 415234112 406 T 415234112 410 T 415234112 415 T 415234112 417 T 415234112 419 T 415234112 420 T 415234112 424 T 415234112 426 T 415234112 431 T 415234112 432 T 415234112 440 T 415234112 443 T 415234112 449 T 415234112 456 T 415234112 459 T 415234112 467 T 415234112 471 T 415234112 484 T 415234112 485 T 415234112 490 T 415234112 491 T 415234112 498 T 415234112 513 T 415234112 515 T 415234112 521 T 415234112 522 T 415234112 525 T 415234112 533 T 415234112 537 T 415234112 538 T 415234112 544 T 415234112 552 T 415234112 554 T 415234112 1 T 415234112 23 T 415234112 50 T 415234112 101 T 415234112 217 T 415234112 272 T 415234112 299 T 415234112 336 T 415234112 357 T 415234112 365 T 415234112 371 T 415234112 438 T 415234112 444 T 415234112 446 T 415234112 482 T 415234112 496 T 415234112 501 T 415234112 523 T 415234112 527 T 415234112 535 T 415234112 540 T 415234112 546 T 415234112 548 T 415234112 550 THERE ARE 5 FAMILIES OF CONFORMATIONS wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -1.36217E+02 AVE RMSD10.09 wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.34479E+02 RMS 10.43 wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -1.36202E+02 AVE RMSD11.30 wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.34781E+02 RMS 11.65 wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -1.35994E+02 AVE RMSD 8.71 wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.34538E+02 RMS 8.30 wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -1.35701E+02 AVE RMSD 7.79 wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.34197E+02 RMS 7.75 wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -1.35188E+02 AVE RMSD 5.69 wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.34811E+02 RMS 4.22
