Friday, September 20 2024 05:51:53
UNRES
1.63s
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CTEST_FULL_OUTPUT T 953070448 5 T 953070448 7 T 953070448 8 T 953070448 9 T 953070448 10 T 953070448 11 T 953070448 13 T 953070448 14 T 953070448 18 T 953070448 19 T 953070448 20 T 953070448 22 T 953070448 25 T 953070448 27 T 953070448 29 T 953070448 32 T 953070448 39 T 953070448 43 T 953070448 44 T 953070448 45 T 953070448 46 T 953070448 55 T 953070448 60 T 953070448 63 T 953070448 65 T 953070448 66 T 953070448 67 T 953070448 68 T 953070448 69 T 953070448 70 T 953070448 75 T 953070448 77 T 953070448 78 T 953070448 79 T 953070448 82 T 953070448 84 T 953070448 85 T 953070448 86 T 953070448 90 T 953070448 92 T 953070448 95 T 953070448 100 T 953070448 101 T 953070448 102 T 953070448 103 T 953070448 107 T 953070448 108 T 953070448 110 T 953070448 111 T 953070448 113 T 953070448 115 T 953070448 117 T 953070448 124 T 953070448 130 T 953070448 131 T 953070448 133 T 953070448 134 T 953070448 135 T 953070448 141 T 953070448 143 T 953070448 145 T 953070448 147 T 953070448 150 T 953070448 151 T 953070448 154 T 953070448 155 T 953070448 156 T 953070448 157 T 953070448 158 T 953070448 159 T 953070448 160 T 953070448 161 T 953070448 163 T 953070448 166 T 953070448 167 T 953070448 171 T 953070448 179 T 953070448 181 T 953070448 182 T 953070448 183 T 953070448 184 T 953070448 185 T 953070448 187 T 953070448 188 T 953070448 189 T 953070448 190 T 953070448 192 T 953070448 195 T 953070448 196 T 953070448 202 T 953070448 205 T 953070448 210 T 953070448 213 T 953070448 215 T 953070448 216 T 953070448 220 T 953070448 223 T 953070448 224 T 953070448 226 T 953070448 230 T 953070448 232 T 953070448 235 T 953070448 238 T 953070448 239 T 953070448 240 T 953070448 243 T 953070448 245 T 953070448 246 T 953070448 247 T 953070448 249 T 953070448 250 T 953070448 251 T 953070448 252 T 953070448 253 T 953070448 257 T 953070448 262 T 953070448 263 T 953070448 265 T 953070448 270 T 953070448 276 T 953070448 282 T 953070448 283 T 953070448 285 T 953070448 288 T 953070448 293 T 953070448 294 T 953070448 296 T 953070448 298 T 953070448 301 T 953070448 302 T 953070448 305 T 953070448 308 T 953070448 319 T 953070448 324 T 953070448 327 T 953070448 336 T 953070448 346 T 953070448 348 T 953070448 357 T 953070448 360 T 953070448 362 T 953070448 363 T 953070448 376 T 953070448 378 T 953070448 380 T 953070448 383 T 953070448 405 T 953070448 414 T 953070448 429 T 953070448 1 T 953070448 2 T 953070448 4 T 953070448 6 T 953070448 12 T 953070448 16 T 953070448 21 T 953070448 23 T 953070448 28 T 953070448 30 T 953070448 31 T 953070448 33 T 953070448 34 T 953070448 36 T 953070448 37 T 953070448 38 T 953070448 41 T 953070448 47 T 953070448 49 T 953070448 50 T 953070448 52 T 953070448 53 T 953070448 54 T 953070448 57 T 953070448 59 T 953070448 61 T 953070448 64 T 953070448 72 T 953070448 73 T 953070448 80 T 953070448 81 T 953070448 83 T 953070448 87 T 953070448 89 T 953070448 91 T 953070448 94 T 953070448 96 T 953070448 98 T 953070448 104 T 953070448 106 T 953070448 109 T 953070448 114 T 953070448 116 T 953070448 120 T 953070448 121 T 953070448 122 T 953070448 123 T 953070448 125 T 953070448 127 T 953070448 129 T 953070448 132 T 953070448 136 T 953070448 137 T 953070448 138 T 953070448 140 T 953070448 142 T 953070448 148 T 953070448 149 T 953070448 152 T 953070448 162 T 953070448 164 T 953070448 165 T 953070448 168 T 953070448 170 T 953070448 174 T 953070448 175 T 953070448 177 T 953070448 178 T 953070448 186 T 953070448 193 T 953070448 194 T 953070448 197 T 953070448 200 T 953070448 203 T 953070448 204 T 953070448 206 T 953070448 207 T 953070448 208 T 953070448 209 T 953070448 211 T 953070448 212 T 953070448 214 T 953070448 217 T 953070448 219 T 953070448 221 T 953070448 222 T 953070448 225 T 953070448 227 T 953070448 228 T 953070448 229 T 953070448 231 T 953070448 234 T 953070448 236 T 953070448 237 T 953070448 241 T 953070448 244 T 953070448 255 T 953070448 256 T 953070448 258 T 953070448 259 T 953070448 260 T 953070448 261 T 953070448 264 T 953070448 266 T 953070448 267 T 953070448 268 T 953070448 277 T 953070448 279 T 953070448 281 T 953070448 284 T 953070448 286 T 953070448 287 T 953070448 290 T 953070448 295 T 953070448 297 T 953070448 300 T 953070448 304 T 953070448 306 T 953070448 309 T 953070448 312 T 953070448 314 T 953070448 316 T 953070448 318 T 953070448 321 T 953070448 322 T 953070448 323 T 953070448 325 T 953070448 328 T 953070448 329 T 953070448 331 T 953070448 337 T 953070448 338 T 953070448 339 T 953070448 344 T 953070448 349 T 953070448 350 T 953070448 352 T 953070448 355 T 953070448 358 T 953070448 364 T 953070448 365 T 953070448 366 T 953070448 367 T 953070448 372 T 953070448 379 T 953070448 385 T 953070448 386 T 953070448 389 T 953070448 394 T 953070448 400 T 953070448 401 T 953070448 403 T 953070448 407 T 953070448 409 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 953070448 412 T 953070448 413 T 953070448 416 T 953070448 418 T 953070448 422 T 953070448 431 T 953070448 15 T 953070448 24 T 953070448 26 T 953070448 35 T 953070448 40 T 953070448 42 T 953070448 48 T 953070448 56 T 953070448 58 T 953070448 62 T 953070448 71 T 953070448 74 T 953070448 76 T 953070448 88 T 953070448 93 T 953070448 97 T 953070448 99 T 953070448 105 T 953070448 112 T 953070448 118 T 953070448 126 T 953070448 128 T 953070448 139 T 953070448 144 T 953070448 146 T 953070448 153 T 953070448 169 T 953070448 173 T 953070448 176 T 953070448 191 T 953070448 198 T 953070448 201 T 953070448 218 T 953070448 233 T 953070448 242 T 953070448 254 T 953070448 269 T 953070448 271 T 953070448 272 T 953070448 273 T 953070448 274 T 953070448 275 T 953070448 280 T 953070448 289 T 953070448 292 T 953070448 303 T 953070448 310 T 953070448 313 T 953070448 315 T 953070448 317 T 953070448 320 T 953070448 326 T 953070448 330 T 953070448 332 T 953070448 333 T 953070448 334 T 953070448 340 T 953070448 341 T 953070448 342 T 953070448 343 T 953070448 345 T 953070448 347 T 953070448 351 T 953070448 353 T 953070448 354 T 953070448 356 T 953070448 359 T 953070448 361 T 953070448 368 T 953070448 369 T 953070448 370 T 953070448 371 T 953070448 373 T 953070448 374 T 953070448 381 T 953070448 387 T 953070448 390 T 953070448 391 T 953070448 395 T 953070448 396 T 953070448 397 T 953070448 398 T 953070448 399 T 953070448 402 T 953070448 410 T 953070448 411 T 953070448 423 T 953070448 425 T 953070448 427 T 953070448 428 T 953070448 430 T 953070448 432 T 953070448 434 T 953070448 436 T 953070448 3 T 953070448 17 T 953070448 51 T 953070448 119 T 953070448 172 T 953070448 180 T 953070448 199 T 953070448 248 T 953070448 278 T 953070448 291 T 953070448 299 T 953070448 307 T 953070448 311 T 953070448 335 T 953070448 375 T 953070448 382 T 953070448 392 T 953070448 404 T 953070448 406 T 953070448 408 T 953070448 415 T 953070448 417 T 953070448 419 T 953070448 421 T 953070448 433 T 953070448 435 T 953070448 377 T 953070448 384 T 953070448 388 T 953070448 393 T 953070448 420 T 953070448 424 T 953070448 426 THERE ARE 5 FAMILIES OF CONFORMATIONS wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -1.49836E+02 AVE RMSD10.30 wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.47805E+02 RMS 10.39 wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -1.49817E+02 AVE RMSD10.04 wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.48081E+02 RMS 9.71 wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -1.49321E+02 AVE RMSD 8.55 wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.47620E+02 RMS 8.70 wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -1.48634E+02 AVE RMSD 7.32 wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.47931E+02 RMS 7.01 wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -1.47100E+02 AVE RMSD 8.70 wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.46205E+02 RMS 8.91
