Saturday, September 21 2024 06:35:52
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1.20s
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CTEST_FULL_OUTPUT JESTEM T 395015008 1 T 395015008 5 T 395015008 8 T 395015008 10 T 395015008 11 T 395015008 12 T 395015008 15 T 395015008 16 T 395015008 19 T 395015008 20 T 395015008 22 T 395015008 23 T 395015008 24 T 395015008 26 T 395015008 27 T 395015008 28 T 395015008 30 T 395015008 34 T 395015008 35 T 395015008 36 T 395015008 39 T 395015008 41 T 395015008 44 T 395015008 45 T 395015008 52 T 395015008 60 T 395015008 62 T 395015008 68 T 395015008 73 T 395015008 74 T 395015008 75 T 395015008 76 T 395015008 77 T 395015008 83 T 395015008 87 T 395015008 91 T 395015008 97 T 395015008 98 T 395015008 104 T 395015008 110 T 395015008 111 T 395015008 113 T 395015008 114 T 395015008 115 T 395015008 117 T 395015008 121 T 395015008 124 T 395015008 128 T 395015008 129 T 395015008 134 T 395015008 137 T 395015008 138 T 395015008 141 T 395015008 146 T 395015008 147 T 395015008 151 T 395015008 155 T 395015008 161 T 395015008 164 T 395015008 175 T 395015008 177 T 395015008 178 T 395015008 183 T 395015008 186 T 395015008 193 T 395015008 196 T 395015008 205 T 395015008 211 T 395015008 216 T 395015008 219 T 395015008 220 T 395015008 221 T 395015008 226 T 395015008 229 T 395015008 231 T 395015008 234 T 395015008 238 T 395015008 250 T 395015008 252 T 395015008 257 T 395015008 259 T 395015008 261 T 395015008 265 T 395015008 269 T 395015008 271 T 395015008 277 T 395015008 278 T 395015008 283 T 395015008 291 T 395015008 294 T 395015008 298 T 395015008 299 T 395015008 303 T 395015008 307 T 395015008 312 T 395015008 316 T 395015008 318 T 395015008 319 T 395015008 323 T 395015008 327 T 395015008 331 T 395015008 338 T 395015008 344 T 395015008 346 T 395015008 347 T 395015008 353 T 395015008 355 T 395015008 356 T 395015008 358 T 395015008 359 T 395015008 362 T 395015008 373 T 395015008 374 T 395015008 378 T 395015008 386 T 395015008 389 T 395015008 394 T 395015008 405 T 395015008 413 T 395015008 416 T 395015008 420 T 395015008 429 T 395015008 439 T 395015008 440 T 395015008 441 T 395015008 447 T 395015008 448 T 395015008 453 T 395015008 478 T 395015008 479 T 395015008 489 T 395015008 499 T 395015008 510 T 395015008 513 T 395015008 537 T 395015008 538 T 395015008 544 T 395015008 545 T 395015008 552 T 395015008 554 T 395015008 560 T 395015008 563 T 395015008 571 T 395015008 2 T 395015008 6 T 395015008 9 T 395015008 17 T 395015008 29 T 395015008 31 T 395015008 40 T 395015008 47 T 395015008 49 T 395015008 55 T 395015008 57 T 395015008 66 T 395015008 70 T 395015008 81 T 395015008 82 T 395015008 84 T 395015008 89 T 395015008 90 T 395015008 92 T 395015008 93 T 395015008 94 T 395015008 100 T 395015008 101 T 395015008 107 T 395015008 118 T 395015008 119 T 395015008 120 T 395015008 123 T 395015008 125 T 395015008 131 T 395015008 132 T 395015008 133 T 395015008 143 T 395015008 145 T 395015008 150 T 395015008 152 T 395015008 153 T 395015008 159 T 395015008 162 T 395015008 166 T 395015008 172 T 395015008 173 T 395015008 180 T 395015008 182 T 395015008 191 T 395015008 194 T 395015008 203 T 395015008 204 T 395015008 207 T 395015008 210 T 395015008 213 T 395015008 222 T 395015008 228 T 395015008 232 T 395015008 235 T 395015008 240 T 395015008 241 T 395015008 246 T 395015008 251 T 395015008 256 T 395015008 258 T 395015008 262 T 395015008 270 T 395015008 272 T 395015008 273 T 395015008 275 T 395015008 279 T 395015008 281 T 395015008 284 T 395015008 285 T 395015008 286 T 395015008 288 T 395015008 290 T 395015008 296 T 395015008 301 T 395015008 305 T 395015008 308 T 395015008 315 T 395015008 321 T 395015008 324 T 395015008 325 T 395015008 330 T 395015008 333 T 395015008 336 T 395015008 337 T 395015008 350 T 395015008 369 T 395015008 370 T 395015008 377 T 395015008 379 T 395015008 380 T 395015008 387 T 395015008 388 T 395015008 395 T 395015008 398 T 395015008 403 T 395015008 419 T 395015008 423 T 395015008 428 T 395015008 436 T 395015008 445 T 395015008 452 T 395015008 456 T 395015008 457 T 395015008 459 T 395015008 461 T 395015008 462 T 395015008 463 T 395015008 464 T 395015008 467 T 395015008 471 T 395015008 475 T 395015008 476 T 395015008 497 T 395015008 498 T 395015008 500 T 395015008 506 T 395015008 507 T 395015008 511 T 395015008 521 T 395015008 530 T 395015008 534 T 395015008 539 T 395015008 550 T 395015008 551 T 395015008 559 T 395015008 568 T 395015008 575 T 395015008 3 T 395015008 21 T 395015008 33 T 395015008 43 T 395015008 51 T 395015008 54 T 395015008 58 T 395015008 64 T 395015008 67 T 395015008 69 T 395015008 71 T 395015008 79 T 395015008 85 T 395015008 96 T 395015008 99 T 395015008 102 T 395015008 122 T 395015008 126 T 395015008 127 T 395015008 130 T 395015008 135 T 395015008 140 T 395015008 142 T 395015008 148 T 395015008 149 T 395015008 154 T 395015008 165 T 395015008 167 T 395015008 168 T 395015008 171 T 395015008 176 T 395015008 179 T 395015008 181 T 395015008 192 T 395015008 197 T 395015008 198 T 395015008 199 T 395015008 201 T 395015008 206 T 395015008 208 T 395015008 209 T 395015008 212 T 395015008 214 T 395015008 215 T 395015008 217 T 395015008 223 T 395015008 227 T 395015008 233 T 395015008 236 T 395015008 242 T 395015008 243 T 395015008 245 T 395015008 260 T 395015008 267 T 395015008 268 T 395015008 276 T 395015008 280 T 395015008 289 T 395015008 292 T 395015008 297 T 395015008 300 T 395015008 302 T 395015008 311 T 395015008 314 T 395015008 322 T 395015008 329 T 395015008 341 T 395015008 343 T 395015008 345 T 395015008 349 T 395015008 357 T 395015008 363 T 395015008 366 T 395015008 368 T 395015008 371 T 395015008 375 T 395015008 385 T 395015008 391 T 395015008 400 T 395015008 402 T 395015008 404 T 395015008 406 T 395015008 409 T 395015008 410 T 395015008 412 T 395015008 415 T 395015008 424 T 395015008 432 T 395015008 433 T 395015008 434 T 395015008 437 T 395015008 442 T 395015008 443 T 395015008 444 T 395015008 446 T 395015008 449 T 395015008 460 T 395015008 469 T 395015008 473 T 395015008 477 T 395015008 487 T 395015008 492 T 395015008 509 T 395015008 512 T 395015008 517 T 395015008 519 T 395015008 523 T 395015008 524 T 395015008 526 T 395015008 528 T 395015008 533 T 395015008 540 T 395015008 541 T 395015008 542 T 395015008 546 T 395015008 548 T 395015008 553 T 395015008 556 T 395015008 558 T 395015008 564 T 395015008 566 T 395015008 572 T 395015008 573 T 395015008 4 T 395015008 7 T 395015008 13 T 395015008 14 T 395015008 18 T 395015008 37 T 395015008 38 T 395015008 48 T 395015008 50 T 395015008 53 T 395015008 56 T 395015008 59 T 395015008 61 T 395015008 65 T 395015008 72 T 395015008 78 T 395015008 86 T 395015008 95 T 395015008 109 T 395015008 112 T 395015008 116 T 395015008 136 T 395015008 156 T 395015008 157 T 395015008 158 T 395015008 160 T 395015008 169 T 395015008 184 T 395015008 187 T 395015008 188 T 395015008 189 T 395015008 190 T 395015008 195 T 395015008 200 T 395015008 202 T 395015008 218 T 395015008 224 T 395015008 225 T 395015008 230 T 395015008 237 T 395015008 248 T 395015008 253 T 395015008 255 T 395015008 263 T 395015008 264 T 395015008 266 T 395015008 274 T 395015008 282 T 395015008 287 T 395015008 293 T 395015008 295 T 395015008 304 T 395015008 309 T 395015008 310 T 395015008 320 T 395015008 328 T 395015008 334 T 395015008 335 T 395015008 339 T 395015008 340 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 395015008 342 T 395015008 348 T 395015008 354 T 395015008 360 T 395015008 365 T 395015008 367 T 395015008 372 T 395015008 381 T 395015008 383 T 395015008 384 T 395015008 392 T 395015008 396 T 395015008 397 T 395015008 401 T 395015008 408 T 395015008 411 T 395015008 417 T 395015008 418 T 395015008 421 T 395015008 422 T 395015008 430 T 395015008 435 T 395015008 458 T 395015008 465 T 395015008 468 T 395015008 470 T 395015008 472 T 395015008 474 T 395015008 480 T 395015008 482 T 395015008 483 T 395015008 488 T 395015008 490 T 395015008 491 T 395015008 494 T 395015008 496 T 395015008 501 T 395015008 502 T 395015008 504 T 395015008 508 T 395015008 516 T 395015008 518 T 395015008 520 T 395015008 525 T 395015008 527 T 395015008 529 T 395015008 532 T 395015008 535 T 395015008 543 T 395015008 555 T 395015008 565 T 395015008 569 T 395015008 570 T 395015008 25 T 395015008 32 T 395015008 42 T 395015008 46 T 395015008 63 T 395015008 80 T 395015008 88 T 395015008 103 T 395015008 105 T 395015008 106 T 395015008 108 T 395015008 139 T 395015008 144 T 395015008 163 T 395015008 170 T 395015008 174 T 395015008 185 T 395015008 239 T 395015008 244 T 395015008 247 T 395015008 249 T 395015008 254 T 395015008 306 T 395015008 313 T 395015008 317 T 395015008 326 T 395015008 332 T 395015008 351 T 395015008 352 T 395015008 361 T 395015008 364 T 395015008 376 T 395015008 382 T 395015008 390 T 395015008 393 T 395015008 399 T 395015008 407 T 395015008 414 T 395015008 425 T 395015008 426 T 395015008 427 T 395015008 431 T 395015008 438 T 395015008 450 T 395015008 451 T 395015008 454 T 395015008 455 T 395015008 466 T 395015008 481 T 395015008 484 T 395015008 485 T 395015008 486 T 395015008 493 T 395015008 495 T 395015008 503 T 395015008 505 T 395015008 514 T 395015008 515 T 395015008 522 T 395015008 531 T 395015008 536 T 395015008 547 T 395015008 549 T 395015008 557 T 395015008 561 T 395015008 562 T 395015008 567 T 395015008 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
