Saturday, September 21 2024 12:51:25
UNRES
0.85s
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CTEST_FULL_OUTPUT JESTEM T 1314893632 1 T 1314893632 5 T 1314893632 8 T 1314893632 10 T 1314893632 11 T 1314893632 12 T 1314893632 15 T 1314893632 16 T 1314893632 19 T 1314893632 20 T 1314893632 22 T 1314893632 23 T 1314893632 24 T 1314893632 26 T 1314893632 27 T 1314893632 28 T 1314893632 30 T 1314893632 34 T 1314893632 35 T 1314893632 36 T 1314893632 39 T 1314893632 41 T 1314893632 44 T 1314893632 45 T 1314893632 52 T 1314893632 60 T 1314893632 62 T 1314893632 68 T 1314893632 73 T 1314893632 74 T 1314893632 75 T 1314893632 76 T 1314893632 77 T 1314893632 83 T 1314893632 87 T 1314893632 91 T 1314893632 97 T 1314893632 98 T 1314893632 104 T 1314893632 110 T 1314893632 111 T 1314893632 113 T 1314893632 114 T 1314893632 115 T 1314893632 117 T 1314893632 121 T 1314893632 124 T 1314893632 128 T 1314893632 129 T 1314893632 134 T 1314893632 137 T 1314893632 138 T 1314893632 141 T 1314893632 146 T 1314893632 147 T 1314893632 151 T 1314893632 155 T 1314893632 161 T 1314893632 164 T 1314893632 175 T 1314893632 177 T 1314893632 178 T 1314893632 183 T 1314893632 186 T 1314893632 193 T 1314893632 196 T 1314893632 205 T 1314893632 211 T 1314893632 216 T 1314893632 219 T 1314893632 220 T 1314893632 221 T 1314893632 226 T 1314893632 229 T 1314893632 231 T 1314893632 234 T 1314893632 238 T 1314893632 250 T 1314893632 252 T 1314893632 257 T 1314893632 259 T 1314893632 261 T 1314893632 265 T 1314893632 269 T 1314893632 271 T 1314893632 277 T 1314893632 278 T 1314893632 283 T 1314893632 291 T 1314893632 294 T 1314893632 298 T 1314893632 299 T 1314893632 303 T 1314893632 307 T 1314893632 312 T 1314893632 316 T 1314893632 318 T 1314893632 319 T 1314893632 323 T 1314893632 327 T 1314893632 331 T 1314893632 338 T 1314893632 344 T 1314893632 346 T 1314893632 347 T 1314893632 353 T 1314893632 355 T 1314893632 356 T 1314893632 358 T 1314893632 359 T 1314893632 362 T 1314893632 373 T 1314893632 374 T 1314893632 378 T 1314893632 386 T 1314893632 389 T 1314893632 394 T 1314893632 405 T 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1314893632 152 T 1314893632 153 T 1314893632 159 T 1314893632 162 T 1314893632 166 T 1314893632 172 T 1314893632 173 T 1314893632 180 T 1314893632 182 T 1314893632 191 T 1314893632 194 T 1314893632 203 T 1314893632 204 T 1314893632 207 T 1314893632 210 T 1314893632 213 T 1314893632 222 T 1314893632 228 T 1314893632 232 T 1314893632 235 T 1314893632 240 T 1314893632 241 T 1314893632 246 T 1314893632 251 T 1314893632 256 T 1314893632 258 T 1314893632 262 T 1314893632 270 T 1314893632 272 T 1314893632 273 T 1314893632 275 T 1314893632 279 T 1314893632 281 T 1314893632 284 T 1314893632 285 T 1314893632 286 T 1314893632 288 T 1314893632 290 T 1314893632 296 T 1314893632 301 T 1314893632 305 T 1314893632 308 T 1314893632 315 T 1314893632 321 T 1314893632 324 T 1314893632 325 T 1314893632 330 T 1314893632 333 T 1314893632 336 T 1314893632 337 T 1314893632 350 T 1314893632 369 T 1314893632 370 T 1314893632 377 T 1314893632 379 T 1314893632 380 T 1314893632 387 T 1314893632 388 T 1314893632 395 T 1314893632 398 T 1314893632 403 T 1314893632 419 T 1314893632 423 T 1314893632 428 T 1314893632 436 T 1314893632 445 T 1314893632 452 T 1314893632 456 T 1314893632 457 T 1314893632 459 T 1314893632 461 T 1314893632 462 T 1314893632 463 T 1314893632 464 T 1314893632 467 T 1314893632 471 T 1314893632 475 T 1314893632 476 T 1314893632 497 T 1314893632 498 T 1314893632 500 T 1314893632 506 T 1314893632 507 T 1314893632 511 T 1314893632 521 T 1314893632 530 T 1314893632 534 T 1314893632 539 T 1314893632 550 T 1314893632 551 T 1314893632 559 T 1314893632 568 T 1314893632 575 T 1314893632 3 T 1314893632 21 T 1314893632 33 T 1314893632 43 T 1314893632 51 T 1314893632 54 T 1314893632 58 T 1314893632 64 T 1314893632 67 T 1314893632 69 T 1314893632 71 T 1314893632 79 T 1314893632 85 T 1314893632 96 T 1314893632 99 T 1314893632 102 T 1314893632 122 T 1314893632 126 T 1314893632 127 T 1314893632 130 T 1314893632 135 T 1314893632 140 T 1314893632 142 T 1314893632 148 T 1314893632 149 T 1314893632 154 T 1314893632 165 T 1314893632 167 T 1314893632 168 T 1314893632 171 T 1314893632 176 T 1314893632 179 T 1314893632 181 T 1314893632 192 T 1314893632 197 T 1314893632 198 T 1314893632 199 T 1314893632 201 T 1314893632 206 T 1314893632 208 T 1314893632 209 T 1314893632 212 T 1314893632 214 T 1314893632 215 T 1314893632 217 T 1314893632 223 T 1314893632 227 T 1314893632 233 T 1314893632 236 T 1314893632 242 T 1314893632 243 T 1314893632 245 T 1314893632 260 T 1314893632 267 T 1314893632 268 T 1314893632 276 T 1314893632 280 T 1314893632 289 T 1314893632 292 T 1314893632 297 T 1314893632 300 T 1314893632 302 T 1314893632 311 T 1314893632 314 T 1314893632 322 T 1314893632 329 T 1314893632 341 T 1314893632 343 T 1314893632 345 T 1314893632 349 T 1314893632 357 T 1314893632 363 T 1314893632 366 T 1314893632 368 T 1314893632 371 T 1314893632 375 T 1314893632 385 T 1314893632 391 T 1314893632 400 T 1314893632 402 T 1314893632 404 T 1314893632 406 T 1314893632 409 T 1314893632 410 T 1314893632 412 T 1314893632 415 T 1314893632 424 T 1314893632 432 T 1314893632 433 T 1314893632 434 T 1314893632 437 T 1314893632 442 T 1314893632 443 T 1314893632 444 T 1314893632 446 T 1314893632 449 T 1314893632 460 T 1314893632 469 T 1314893632 473 T 1314893632 477 T 1314893632 487 T 1314893632 492 T 1314893632 509 T 1314893632 512 T 1314893632 517 T 1314893632 519 T 1314893632 523 T 1314893632 524 T 1314893632 526 T 1314893632 528 T 1314893632 533 T 1314893632 540 T 1314893632 541 T 1314893632 542 T 1314893632 546 T 1314893632 548 T 1314893632 553 T 1314893632 556 T 1314893632 558 T 1314893632 564 T 1314893632 566 T 1314893632 572 T 1314893632 573 T 1314893632 4 T 1314893632 7 T 1314893632 13 T 1314893632 14 T 1314893632 18 T 1314893632 37 T 1314893632 38 T 1314893632 48 T 1314893632 50 T 1314893632 53 T 1314893632 56 T 1314893632 59 T 1314893632 61 T 1314893632 65 T 1314893632 72 T 1314893632 78 T 1314893632 86 T 1314893632 95 T 1314893632 109 T 1314893632 112 T 1314893632 116 T 1314893632 136 T 1314893632 156 T 1314893632 157 T 1314893632 158 T 1314893632 160 T 1314893632 169 T 1314893632 184 T 1314893632 187 T 1314893632 188 T 1314893632 189 T 1314893632 190 T 1314893632 195 T 1314893632 200 T 1314893632 202 T 1314893632 218 T 1314893632 224 T 1314893632 225 T 1314893632 230 T 1314893632 237 T 1314893632 248 T 1314893632 253 T 1314893632 255 T 1314893632 263 T 1314893632 264 T 1314893632 266 T 1314893632 274 T 1314893632 282 T 1314893632 287 T 1314893632 293 T 1314893632 295 T 1314893632 304 T 1314893632 309 T 1314893632 310 T 1314893632 320 T 1314893632 328 T 1314893632 334 T 1314893632 335 T 1314893632 339 T 1314893632 340 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1314893632 342 T 1314893632 348 T 1314893632 354 T 1314893632 360 T 1314893632 365 T 1314893632 367 T 1314893632 372 T 1314893632 381 T 1314893632 383 T 1314893632 384 T 1314893632 392 T 1314893632 396 T 1314893632 397 T 1314893632 401 T 1314893632 408 T 1314893632 411 T 1314893632 417 T 1314893632 418 T 1314893632 421 T 1314893632 422 T 1314893632 430 T 1314893632 435 T 1314893632 458 T 1314893632 465 T 1314893632 468 T 1314893632 470 T 1314893632 472 T 1314893632 474 T 1314893632 480 T 1314893632 482 T 1314893632 483 T 1314893632 488 T 1314893632 490 T 1314893632 491 T 1314893632 494 T 1314893632 496 T 1314893632 501 T 1314893632 502 T 1314893632 504 T 1314893632 508 T 1314893632 516 T 1314893632 518 T 1314893632 520 T 1314893632 525 T 1314893632 527 T 1314893632 529 T 1314893632 532 T 1314893632 535 T 1314893632 543 T 1314893632 555 T 1314893632 565 T 1314893632 569 T 1314893632 570 T 1314893632 25 T 1314893632 32 T 1314893632 42 T 1314893632 46 T 1314893632 63 T 1314893632 80 T 1314893632 88 T 1314893632 103 T 1314893632 105 T 1314893632 106 T 1314893632 108 T 1314893632 139 T 1314893632 144 T 1314893632 163 T 1314893632 170 T 1314893632 174 T 1314893632 185 T 1314893632 239 T 1314893632 244 T 1314893632 247 T 1314893632 249 T 1314893632 254 T 1314893632 306 T 1314893632 313 T 1314893632 317 T 1314893632 326 T 1314893632 332 T 1314893632 351 T 1314893632 352 T 1314893632 361 T 1314893632 364 T 1314893632 376 T 1314893632 382 T 1314893632 390 T 1314893632 393 T 1314893632 399 T 1314893632 407 T 1314893632 414 T 1314893632 425 T 1314893632 426 T 1314893632 427 T 1314893632 431 T 1314893632 438 T 1314893632 450 T 1314893632 451 T 1314893632 454 T 1314893632 455 T 1314893632 466 T 1314893632 481 T 1314893632 484 T 1314893632 485 T 1314893632 486 T 1314893632 493 T 1314893632 495 T 1314893632 503 T 1314893632 505 T 1314893632 514 T 1314893632 515 T 1314893632 522 T 1314893632 531 T 1314893632 536 T 1314893632 547 T 1314893632 549 T 1314893632 557 T 1314893632 561 T 1314893632 562 T 1314893632 567 T 1314893632 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
