Thursday, September 19 2024 09:23:29
UNRES
1.68s
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CTEST_FULL_OUTPUT T 1624112880 1 T 1624112880 3 T 1624112880 5 T 1624112880 7 T 1624112880 10 T 1624112880 13 T 1624112880 17 T 1624112880 20 T 1624112880 36 T 1624112880 38 T 1624112880 40 T 1624112880 46 T 1624112880 48 T 1624112880 50 T 1624112880 52 T 1624112880 54 T 1624112880 56 T 1624112880 59 T 1624112880 63 T 1624112880 64 T 1624112880 65 T 1624112880 73 T 1624112880 75 T 1624112880 79 T 1624112880 81 T 1624112880 82 T 1624112880 83 T 1624112880 86 T 1624112880 92 T 1624112880 97 T 1624112880 102 T 1624112880 105 T 1624112880 109 T 1624112880 111 T 1624112880 116 T 1624112880 119 T 1624112880 124 T 1624112880 127 T 1624112880 128 T 1624112880 130 T 1624112880 133 T 1624112880 134 T 1624112880 135 T 1624112880 143 T 1624112880 145 T 1624112880 150 T 1624112880 151 T 1624112880 152 T 1624112880 165 T 1624112880 171 T 1624112880 174 T 1624112880 180 T 1624112880 187 T 1624112880 205 T 1624112880 208 T 1624112880 211 T 1624112880 224 T 1624112880 227 T 1624112880 232 T 1624112880 235 T 1624112880 238 T 1624112880 239 T 1624112880 240 T 1624112880 244 T 1624112880 245 T 1624112880 247 T 1624112880 249 T 1624112880 254 T 1624112880 269 T 1624112880 271 T 1624112880 273 T 1624112880 275 T 1624112880 279 T 1624112880 280 T 1624112880 281 T 1624112880 282 T 1624112880 285 T 1624112880 287 T 1624112880 289 T 1624112880 290 T 1624112880 291 T 1624112880 297 T 1624112880 298 T 1624112880 304 T 1624112880 307 T 1624112880 309 T 1624112880 317 T 1624112880 321 T 1624112880 327 T 1624112880 328 T 1624112880 329 T 1624112880 332 T 1624112880 334 T 1624112880 335 T 1624112880 336 T 1624112880 340 T 1624112880 341 T 1624112880 342 T 1624112880 343 T 1624112880 344 T 1624112880 345 T 1624112880 347 T 1624112880 348 T 1624112880 351 T 1624112880 357 T 1624112880 359 T 1624112880 360 T 1624112880 370 T 1624112880 373 T 1624112880 374 T 1624112880 376 T 1624112880 378 T 1624112880 381 T 1624112880 382 T 1624112880 384 T 1624112880 385 T 1624112880 386 T 1624112880 388 T 1624112880 389 T 1624112880 392 T 1624112880 393 T 1624112880 396 T 1624112880 398 T 1624112880 399 T 1624112880 400 T 1624112880 405 T 1624112880 407 T 1624112880 409 T 1624112880 410 T 1624112880 411 T 1624112880 422 T 1624112880 423 T 1624112880 425 T 1624112880 428 T 1624112880 429 T 1624112880 442 T 1624112880 444 T 1624112880 448 T 1624112880 449 T 1624112880 451 T 1624112880 453 T 1624112880 454 T 1624112880 456 T 1624112880 458 T 1624112880 461 T 1624112880 464 T 1624112880 468 T 1624112880 472 T 1624112880 477 T 1624112880 478 T 1624112880 2 T 1624112880 6 T 1624112880 8 T 1624112880 11 T 1624112880 14 T 1624112880 15 T 1624112880 16 T 1624112880 27 T 1624112880 29 T 1624112880 42 T 1624112880 43 T 1624112880 44 T 1624112880 45 T 1624112880 49 T 1624112880 57 T 1624112880 69 T 1624112880 70 T 1624112880 71 T 1624112880 72 T 1624112880 77 T 1624112880 78 T 1624112880 80 T 1624112880 90 T 1624112880 93 T 1624112880 94 T 1624112880 99 T 1624112880 103 T 1624112880 106 T 1624112880 107 T 1624112880 118 T 1624112880 121 T 1624112880 125 T 1624112880 136 T 1624112880 137 T 1624112880 139 T 1624112880 141 T 1624112880 142 T 1624112880 144 T 1624112880 148 T 1624112880 149 T 1624112880 155 T 1624112880 158 T 1624112880 159 T 1624112880 160 T 1624112880 162 T 1624112880 163 T 1624112880 164 T 1624112880 168 T 1624112880 170 T 1624112880 175 T 1624112880 181 T 1624112880 184 T 1624112880 189 T 1624112880 191 T 1624112880 194 T 1624112880 200 T 1624112880 201 T 1624112880 203 T 1624112880 206 T 1624112880 209 T 1624112880 213 T 1624112880 216 T 1624112880 221 T 1624112880 222 T 1624112880 226 T 1624112880 228 T 1624112880 229 T 1624112880 230 T 1624112880 231 T 1624112880 233 T 1624112880 234 T 1624112880 242 T 1624112880 257 T 1624112880 268 T 1624112880 278 T 1624112880 284 T 1624112880 293 T 1624112880 301 T 1624112880 306 T 1624112880 311 T 1624112880 313 T 1624112880 319 T 1624112880 324 T 1624112880 331 T 1624112880 337 T 1624112880 352 T 1624112880 355 T 1624112880 362 T 1624112880 366 T 1624112880 369 T 1624112880 375 T 1624112880 390 T 1624112880 391 T 1624112880 394 T 1624112880 397 T 1624112880 401 T 1624112880 402 T 1624112880 403 T 1624112880 404 T 1624112880 415 T 1624112880 417 T 1624112880 430 T 1624112880 431 T 1624112880 435 T 1624112880 437 T 1624112880 439 T 1624112880 440 T 1624112880 455 T 1624112880 462 T 1624112880 463 T 1624112880 465 T 1624112880 466 T 1624112880 467 T 1624112880 469 T 1624112880 476 T 1624112880 4 T 1624112880 12 T 1624112880 24 T 1624112880 25 T 1624112880 26 T 1624112880 28 T 1624112880 31 T 1624112880 33 T 1624112880 34 T 1624112880 35 T 1624112880 37 T 1624112880 51 T 1624112880 53 T 1624112880 55 T 1624112880 58 T 1624112880 68 T 1624112880 74 T 1624112880 84 T 1624112880 87 T 1624112880 88 T 1624112880 96 T 1624112880 98 T 1624112880 100 T 1624112880 104 T 1624112880 110 T 1624112880 113 T 1624112880 115 T 1624112880 117 T 1624112880 120 T 1624112880 123 T 1624112880 138 T 1624112880 146 T 1624112880 147 T 1624112880 153 T 1624112880 154 T 1624112880 156 T 1624112880 157 T 1624112880 161 T 1624112880 166 T 1624112880 167 T 1624112880 172 T 1624112880 173 T 1624112880 176 T 1624112880 177 T 1624112880 183 T 1624112880 186 T 1624112880 193 T 1624112880 195 T 1624112880 196 T 1624112880 197 T 1624112880 198 T 1624112880 199 T 1624112880 202 T 1624112880 207 T 1624112880 212 T 1624112880 214 T 1624112880 236 T 1624112880 241 T 1624112880 243 T 1624112880 246 T 1624112880 248 T 1624112880 252 T 1624112880 253 T 1624112880 259 T 1624112880 260 T 1624112880 262 T 1624112880 263 T 1624112880 265 T 1624112880 270 T 1624112880 272 T 1624112880 283 T 1624112880 288 T 1624112880 295 T 1624112880 296 T 1624112880 299 T 1624112880 300 T 1624112880 303 T 1624112880 308 T 1624112880 310 T 1624112880 315 T 1624112880 316 T 1624112880 320 T 1624112880 322 T 1624112880 330 T 1624112880 338 T 1624112880 354 T 1624112880 356 T 1624112880 363 T 1624112880 364 T 1624112880 365 T 1624112880 371 T 1624112880 372 T 1624112880 377 T 1624112880 383 T 1624112880 387 T 1624112880 427 T 1624112880 432 T 1624112880 433 T 1624112880 441 T 1624112880 443 T 1624112880 445 T 1624112880 9 T 1624112880 18 T 1624112880 19 T 1624112880 21 T 1624112880 22 T 1624112880 23 T 1624112880 30 T 1624112880 32 T 1624112880 39 T 1624112880 41 T 1624112880 47 T 1624112880 60 T 1624112880 61 T 1624112880 62 T 1624112880 67 T 1624112880 76 T 1624112880 85 T 1624112880 89 T 1624112880 91 T 1624112880 95 T 1624112880 101 T 1624112880 108 T 1624112880 112 T 1624112880 114 T 1624112880 122 T 1624112880 126 T 1624112880 129 T 1624112880 131 T 1624112880 132 T 1624112880 140 T 1624112880 169 T 1624112880 178 T 1624112880 179 T 1624112880 182 T 1624112880 185 T 1624112880 188 T 1624112880 190 T 1624112880 204 T 1624112880 215 T 1624112880 217 T 1624112880 218 T 1624112880 219 T 1624112880 220 T 1624112880 223 T 1624112880 225 T 1624112880 237 T 1624112880 250 T 1624112880 251 T 1624112880 255 T 1624112880 256 T 1624112880 258 T 1624112880 264 T 1624112880 266 T 1624112880 267 T 1624112880 274 T 1624112880 276 T 1624112880 277 T 1624112880 286 T 1624112880 302 T 1624112880 305 T 1624112880 312 T 1624112880 314 T 1624112880 318 T 1624112880 323 T 1624112880 325 T 1624112880 326 T 1624112880 339 T 1624112880 346 T 1624112880 349 T 1624112880 350 T 1624112880 353 T 1624112880 358 T 1624112880 361 T 1624112880 368 T 1624112880 379 T 1624112880 380 T 1624112880 395 T 1624112880 406 T 1624112880 412 T 1624112880 413 T 1624112880 414 T 1624112880 416 T 1624112880 418 T 1624112880 419 T 1624112880 420 T 1624112880 426 T 1624112880 434 T 1624112880 436 T 1624112880 438 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1624112880 450 T 1624112880 452 T 1624112880 457 T 1624112880 459 T 1624112880 471 T 1624112880 473 T 1624112880 474 T 1624112880 475 T 1624112880 479 T 1624112880 66 T 1624112880 192 T 1624112880 210 T 1624112880 261 T 1624112880 292 T 1624112880 294 T 1624112880 333 T 1624112880 367 T 1624112880 408 T 1624112880 421 T 1624112880 424 T 1624112880 446 T 1624112880 447 T 1624112880 460 T 1624112880 470 THERE ARE 5 FAMILIES OF CONFORMATIONS wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -1.46021E+02 AVE RMSD 3.62 wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.44495E+02 RMS 5.33 wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -1.45924E+02 AVE RMSD 9.23 wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.44391E+02 RMS 8.84 wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -1.45846E+02 AVE RMSD 9.45 wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.44181E+02 RMS 9.39 wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -1.45754E+02 AVE RMSD 7.91 wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.43932E+02 RMS 7.68 wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -1.44383E+02 AVE RMSD 9.13 wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.43557E+02 RMS 9.18
