Monday, September 23 2024 21:23:37
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CTEST_FULL_OUTPUT JESTEM T 580027264 1 T 580027264 5 T 580027264 8 T 580027264 10 T 580027264 11 T 580027264 12 T 580027264 15 T 580027264 16 T 580027264 19 T 580027264 20 T 580027264 22 T 580027264 23 T 580027264 24 T 580027264 26 T 580027264 27 T 580027264 28 T 580027264 30 T 580027264 34 T 580027264 35 T 580027264 36 T 580027264 39 T 580027264 41 T 580027264 44 T 580027264 45 T 580027264 52 T 580027264 60 T 580027264 62 T 580027264 68 T 580027264 73 T 580027264 74 T 580027264 75 T 580027264 76 T 580027264 77 T 580027264 83 T 580027264 87 T 580027264 91 T 580027264 97 T 580027264 98 T 580027264 104 T 580027264 110 T 580027264 111 T 580027264 113 T 580027264 114 T 580027264 115 T 580027264 117 T 580027264 121 T 580027264 124 T 580027264 128 T 580027264 129 T 580027264 134 T 580027264 137 T 580027264 138 T 580027264 141 T 580027264 146 T 580027264 147 T 580027264 151 T 580027264 155 T 580027264 161 T 580027264 164 T 580027264 175 T 580027264 177 T 580027264 178 T 580027264 183 T 580027264 186 T 580027264 193 T 580027264 196 T 580027264 205 T 580027264 211 T 580027264 216 T 580027264 219 T 580027264 220 T 580027264 221 T 580027264 226 T 580027264 229 T 580027264 231 T 580027264 234 T 580027264 238 T 580027264 250 T 580027264 252 T 580027264 257 T 580027264 259 T 580027264 261 T 580027264 265 T 580027264 269 T 580027264 271 T 580027264 277 T 580027264 278 T 580027264 283 T 580027264 291 T 580027264 294 T 580027264 298 T 580027264 299 T 580027264 303 T 580027264 307 T 580027264 312 T 580027264 316 T 580027264 318 T 580027264 319 T 580027264 323 T 580027264 327 T 580027264 331 T 580027264 338 T 580027264 344 T 580027264 346 T 580027264 347 T 580027264 353 T 580027264 355 T 580027264 356 T 580027264 358 T 580027264 359 T 580027264 362 T 580027264 373 T 580027264 374 T 580027264 378 T 580027264 386 T 580027264 389 T 580027264 394 T 580027264 405 T 580027264 413 T 580027264 416 T 580027264 420 T 580027264 429 T 580027264 439 T 580027264 440 T 580027264 441 T 580027264 447 T 580027264 448 T 580027264 453 T 580027264 478 T 580027264 479 T 580027264 489 T 580027264 499 T 580027264 510 T 580027264 513 T 580027264 537 T 580027264 538 T 580027264 544 T 580027264 545 T 580027264 552 T 580027264 554 T 580027264 560 T 580027264 563 T 580027264 571 T 580027264 2 T 580027264 6 T 580027264 9 T 580027264 17 T 580027264 29 T 580027264 31 T 580027264 40 T 580027264 47 T 580027264 49 T 580027264 55 T 580027264 57 T 580027264 66 T 580027264 70 T 580027264 81 T 580027264 82 T 580027264 84 T 580027264 89 T 580027264 90 T 580027264 92 T 580027264 93 T 580027264 94 T 580027264 100 T 580027264 101 T 580027264 107 T 580027264 118 T 580027264 119 T 580027264 120 T 580027264 123 T 580027264 125 T 580027264 131 T 580027264 132 T 580027264 133 T 580027264 143 T 580027264 145 T 580027264 150 T 580027264 152 T 580027264 153 T 580027264 159 T 580027264 162 T 580027264 166 T 580027264 172 T 580027264 173 T 580027264 180 T 580027264 182 T 580027264 191 T 580027264 194 T 580027264 203 T 580027264 204 T 580027264 207 T 580027264 210 T 580027264 213 T 580027264 222 T 580027264 228 T 580027264 232 T 580027264 235 T 580027264 240 T 580027264 241 T 580027264 246 T 580027264 251 T 580027264 256 T 580027264 258 T 580027264 262 T 580027264 270 T 580027264 272 T 580027264 273 T 580027264 275 T 580027264 279 T 580027264 281 T 580027264 284 T 580027264 285 T 580027264 286 T 580027264 288 T 580027264 290 T 580027264 296 T 580027264 301 T 580027264 305 T 580027264 308 T 580027264 315 T 580027264 321 T 580027264 324 T 580027264 325 T 580027264 330 T 580027264 333 T 580027264 336 T 580027264 337 T 580027264 350 T 580027264 369 T 580027264 370 T 580027264 377 T 580027264 379 T 580027264 380 T 580027264 387 T 580027264 388 T 580027264 395 T 580027264 398 T 580027264 403 T 580027264 419 T 580027264 423 T 580027264 428 T 580027264 436 T 580027264 445 T 580027264 452 T 580027264 456 T 580027264 457 T 580027264 459 T 580027264 461 T 580027264 462 T 580027264 463 T 580027264 464 T 580027264 467 T 580027264 471 T 580027264 475 T 580027264 476 T 580027264 497 T 580027264 498 T 580027264 500 T 580027264 506 T 580027264 507 T 580027264 511 T 580027264 521 T 580027264 530 T 580027264 534 T 580027264 539 T 580027264 550 T 580027264 551 T 580027264 559 T 580027264 568 T 580027264 575 T 580027264 3 T 580027264 21 T 580027264 33 T 580027264 43 T 580027264 51 T 580027264 54 T 580027264 58 T 580027264 64 T 580027264 67 T 580027264 69 T 580027264 71 T 580027264 79 T 580027264 85 T 580027264 96 T 580027264 99 T 580027264 102 T 580027264 122 T 580027264 126 T 580027264 127 T 580027264 130 T 580027264 135 T 580027264 140 T 580027264 142 T 580027264 148 T 580027264 149 T 580027264 154 T 580027264 165 T 580027264 167 T 580027264 168 T 580027264 171 T 580027264 176 T 580027264 179 T 580027264 181 T 580027264 192 T 580027264 197 T 580027264 198 T 580027264 199 T 580027264 201 T 580027264 206 T 580027264 208 T 580027264 209 T 580027264 212 T 580027264 214 T 580027264 215 T 580027264 217 T 580027264 223 T 580027264 227 T 580027264 233 T 580027264 236 T 580027264 242 T 580027264 243 T 580027264 245 T 580027264 260 T 580027264 267 T 580027264 268 T 580027264 276 T 580027264 280 T 580027264 289 T 580027264 292 T 580027264 297 T 580027264 300 T 580027264 302 T 580027264 311 T 580027264 314 T 580027264 322 T 580027264 329 T 580027264 341 T 580027264 343 T 580027264 345 T 580027264 349 T 580027264 357 T 580027264 363 T 580027264 366 T 580027264 368 T 580027264 371 T 580027264 375 T 580027264 385 T 580027264 391 T 580027264 400 T 580027264 402 T 580027264 404 T 580027264 406 T 580027264 409 T 580027264 410 T 580027264 412 T 580027264 415 T 580027264 424 T 580027264 432 T 580027264 433 T 580027264 434 T 580027264 437 T 580027264 442 T 580027264 443 T 580027264 444 T 580027264 446 T 580027264 449 T 580027264 460 T 580027264 469 T 580027264 473 T 580027264 477 T 580027264 487 T 580027264 492 T 580027264 509 T 580027264 512 T 580027264 517 T 580027264 519 T 580027264 523 T 580027264 524 T 580027264 526 T 580027264 528 T 580027264 533 T 580027264 540 T 580027264 541 T 580027264 542 T 580027264 546 T 580027264 548 T 580027264 553 T 580027264 556 T 580027264 558 T 580027264 564 T 580027264 566 T 580027264 572 T 580027264 573 T 580027264 4 T 580027264 7 T 580027264 13 T 580027264 14 T 580027264 18 T 580027264 37 T 580027264 38 T 580027264 48 T 580027264 50 T 580027264 53 T 580027264 56 T 580027264 59 T 580027264 61 T 580027264 65 T 580027264 72 T 580027264 78 T 580027264 86 T 580027264 95 T 580027264 109 T 580027264 112 T 580027264 116 T 580027264 136 T 580027264 156 T 580027264 157 T 580027264 158 T 580027264 160 T 580027264 169 T 580027264 184 T 580027264 187 T 580027264 188 T 580027264 189 T 580027264 190 T 580027264 195 T 580027264 200 T 580027264 202 T 580027264 218 T 580027264 224 T 580027264 225 T 580027264 230 T 580027264 237 T 580027264 248 T 580027264 253 T 580027264 255 T 580027264 263 T 580027264 264 T 580027264 266 T 580027264 274 T 580027264 282 T 580027264 287 T 580027264 293 T 580027264 295 T 580027264 304 T 580027264 309 T 580027264 310 T 580027264 320 T 580027264 328 T 580027264 334 T 580027264 335 T 580027264 339 T 580027264 340 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 580027264 342 T 580027264 348 T 580027264 354 T 580027264 360 T 580027264 365 T 580027264 367 T 580027264 372 T 580027264 381 T 580027264 383 T 580027264 384 T 580027264 392 T 580027264 396 T 580027264 397 T 580027264 401 T 580027264 408 T 580027264 411 T 580027264 417 T 580027264 418 T 580027264 421 T 580027264 422 T 580027264 430 T 580027264 435 T 580027264 458 T 580027264 465 T 580027264 468 T 580027264 470 T 580027264 472 T 580027264 474 T 580027264 480 T 580027264 482 T 580027264 483 T 580027264 488 T 580027264 490 T 580027264 491 T 580027264 494 T 580027264 496 T 580027264 501 T 580027264 502 T 580027264 504 T 580027264 508 T 580027264 516 T 580027264 518 T 580027264 520 T 580027264 525 T 580027264 527 T 580027264 529 T 580027264 532 T 580027264 535 T 580027264 543 T 580027264 555 T 580027264 565 T 580027264 569 T 580027264 570 T 580027264 25 T 580027264 32 T 580027264 42 T 580027264 46 T 580027264 63 T 580027264 80 T 580027264 88 T 580027264 103 T 580027264 105 T 580027264 106 T 580027264 108 T 580027264 139 T 580027264 144 T 580027264 163 T 580027264 170 T 580027264 174 T 580027264 185 T 580027264 239 T 580027264 244 T 580027264 247 T 580027264 249 T 580027264 254 T 580027264 306 T 580027264 313 T 580027264 317 T 580027264 326 T 580027264 332 T 580027264 351 T 580027264 352 T 580027264 361 T 580027264 364 T 580027264 376 T 580027264 382 T 580027264 390 T 580027264 393 T 580027264 399 T 580027264 407 T 580027264 414 T 580027264 425 T 580027264 426 T 580027264 427 T 580027264 431 T 580027264 438 T 580027264 450 T 580027264 451 T 580027264 454 T 580027264 455 T 580027264 466 T 580027264 481 T 580027264 484 T 580027264 485 T 580027264 486 T 580027264 493 T 580027264 495 T 580027264 503 T 580027264 505 T 580027264 514 T 580027264 515 T 580027264 522 T 580027264 531 T 580027264 536 T 580027264 547 T 580027264 549 T 580027264 557 T 580027264 561 T 580027264 562 T 580027264 567 T 580027264 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
