Saturday, September 28 2024 19:30:49
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CTEST_FULL_OUTPUT JESTEM JESTEM JESTEM JESTEM JESTEM JESTEM T 622165856 1 T 622165856 6 T 622165856 7 T 622165856 9 T 622165856 10 T 622165856 12 T 622165856 14 T 622165856 15 T 622165856 17 T 622165856 18 T 622165856 19 T 622165856 20 T 622165856 22 T 622165856 23 T 622165856 25 T 622165856 26 T 622165856 27 T 622165856 28 T 622165856 33 T 622165856 34 T 622165856 35 T 622165856 36 T 622165856 37 T 622165856 38 T 622165856 46 T 622165856 50 T 622165856 52 T 622165856 55 T 622165856 63 T 622165856 66 T 622165856 68 T 622165856 72 T 622165856 77 T 622165856 79 T 622165856 81 T 622165856 87 T 622165856 92 T 622165856 102 T 622165856 106 T 622165856 107 T 622165856 108 T 622165856 110 T 622165856 112 T 622165856 117 T 622165856 118 T 622165856 119 T 622165856 121 T 622165856 125 T 622165856 127 T 622165856 129 T 622165856 131 T 622165856 137 T 622165856 138 T 622165856 141 T 622165856 142 T 622165856 147 T 622165856 150 T 622165856 159 T 622165856 167 T 622165856 168 T 622165856 171 T 622165856 178 T 622165856 180 T 622165856 182 T 622165856 191 T 622165856 193 T 622165856 198 T 622165856 209 T 622165856 211 T 622165856 212 T 622165856 219 T 622165856 221 T 622165856 222 T 622165856 227 T 622165856 231 T 622165856 233 T 622165856 235 T 622165856 251 T 622165856 253 T 622165856 254 T 622165856 256 T 622165856 259 T 622165856 260 T 622165856 268 T 622165856 270 T 622165856 276 T 622165856 278 T 622165856 280 T 622165856 284 T 622165856 295 T 622165856 297 T 622165856 299 T 622165856 301 T 622165856 303 T 622165856 314 T 622165856 315 T 622165856 318 T 622165856 319 T 622165856 323 T 622165856 326 T 622165856 332 T 622165856 340 T 622165856 343 T 622165856 346 T 622165856 348 T 622165856 352 T 622165856 353 T 622165856 355 T 622165856 357 T 622165856 359 T 622165856 362 T 622165856 371 T 622165856 375 T 622165856 376 T 622165856 385 T 622165856 390 T 622165856 392 T 622165856 405 T 622165856 414 T 622165856 415 T 622165856 418 T 622165856 431 T 622165856 432 T 622165856 437 T 622165856 439 T 622165856 444 T 622165856 448 T 622165856 455 T 622165856 481 T 622165856 483 T 622165856 491 T 622165856 499 T 622165856 509 T 622165856 511 T 622165856 537 T 622165856 538 T 622165856 544 T 622165856 546 T 622165856 552 T 622165856 556 T 622165856 558 T 622165856 563 T 622165856 573 T 622165856 574 T 622165856 21 T 622165856 29 T 622165856 30 T 622165856 31 T 622165856 40 T 622165856 42 T 622165856 44 T 622165856 48 T 622165856 54 T 622165856 57 T 622165856 61 T 622165856 67 T 622165856 74 T 622165856 84 T 622165856 85 T 622165856 86 T 622165856 88 T 622165856 96 T 622165856 98 T 622165856 100 T 622165856 101 T 622165856 104 T 622165856 105 T 622165856 113 T 622165856 114 T 622165856 116 T 622165856 122 T 622165856 123 T 622165856 124 T 622165856 134 T 622165856 135 T 622165856 139 T 622165856 144 T 622165856 148 T 622165856 149 T 622165856 152 T 622165856 154 T 622165856 155 T 622165856 162 T 622165856 172 T 622165856 173 T 622165856 174 T 622165856 185 T 622165856 186 T 622165856 192 T 622165856 194 T 622165856 203 T 622165856 204 T 622165856 205 T 622165856 207 T 622165856 213 T 622165856 224 T 622165856 228 T 622165856 234 T 622165856 239 T 622165856 241 T 622165856 243 T 622165856 247 T 622165856 252 T 622165856 258 T 622165856 261 T 622165856 262 T 622165856 269 T 622165856 272 T 622165856 274 T 622165856 275 T 622165856 277 T 622165856 282 T 622165856 285 T 622165856 286 T 622165856 287 T 622165856 289 T 622165856 291 T 622165856 296 T 622165856 304 T 622165856 307 T 622165856 311 T 622165856 316 T 622165856 320 T 622165856 325 T 622165856 328 T 622165856 331 T 622165856 334 T 622165856 335 T 622165856 337 T 622165856 351 T 622165856 368 T 622165856 370 T 622165856 377 T 622165856 380 T 622165856 381 T 622165856 387 T 622165856 388 T 622165856 396 T 622165856 397 T 622165856 403 T 622165856 419 T 622165856 423 T 622165856 429 T 622165856 440 T 622165856 446 T 622165856 454 T 622165856 456 T 622165856 457 T 622165856 459 T 622165856 460 T 622165856 461 T 622165856 465 T 622165856 466 T 622165856 467 T 622165856 471 T 622165856 475 T 622165856 476 T 622165856 497 T 622165856 498 T 622165856 502 T 622165856 506 T 622165856 507 T 622165856 510 T 622165856 522 T 622165856 531 T 622165856 534 T 622165856 539 T 622165856 550 T 622165856 551 T 622165856 561 T 622165856 568 T 622165856 24 T 622165856 41 T 622165856 56 T 622165856 59 T 622165856 64 T 622165856 65 T 622165856 69 T 622165856 76 T 622165856 78 T 622165856 80 T 622165856 82 T 622165856 90 T 622165856 91 T 622165856 95 T 622165856 103 T 622165856 111 T 622165856 126 T 622165856 128 T 622165856 132 T 622165856 136 T 622165856 143 T 622165856 145 T 622165856 146 T 622165856 151 T 622165856 153 T 622165856 158 T 622165856 169 T 622165856 170 T 622165856 175 T 622165856 176 T 622165856 179 T 622165856 181 T 622165856 184 T 622165856 196 T 622165856 200 T 622165856 201 T 622165856 202 T 622165856 206 T 622165856 208 T 622165856 210 T 622165856 214 T 622165856 216 T 622165856 217 T 622165856 218 T 622165856 220 T 622165856 225 T 622165856 230 T 622165856 236 T 622165856 240 T 622165856 244 T 622165856 245 T 622165856 246 T 622165856 266 T 622165856 267 T 622165856 273 T 622165856 279 T 622165856 283 T 622165856 292 T 622165856 294 T 622165856 298 T 622165856 302 T 622165856 305 T 622165856 313 T 622165856 317 T 622165856 322 T 622165856 329 T 622165856 341 T 622165856 344 T 622165856 345 T 622165856 354 T 622165856 356 T 622165856 365 T 622165856 367 T 622165856 369 T 622165856 373 T 622165856 378 T 622165856 389 T 622165856 393 T 622165856 400 T 622165856 401 T 622165856 406 T 622165856 407 T 622165856 410 T 622165856 412 T 622165856 413 T 622165856 417 T 622165856 428 T 622165856 433 T 622165856 434 T 622165856 436 T 622165856 441 T 622165856 442 T 622165856 443 T 622165856 447 T 622165856 449 T 622165856 451 T 622165856 463 T 622165856 470 T 622165856 474 T 622165856 478 T 622165856 487 T 622165856 494 T 622165856 512 T 622165856 514 T 622165856 519 T 622165856 521 T 622165856 523 T 622165856 524 T 622165856 526 T 622165856 529 T 622165856 533 T 622165856 541 T 622165856 542 T 622165856 543 T 622165856 548 T 622165856 549 T 622165856 554 T 622165856 557 T 622165856 562 T 622165856 564 T 622165856 566 T 622165856 572 T 622165856 575 T 622165856 2 T 622165856 11 T 622165856 16 T 622165856 32 T 622165856 39 T 622165856 43 T 622165856 45 T 622165856 47 T 622165856 49 T 622165856 51 T 622165856 53 T 622165856 58 T 622165856 60 T 622165856 70 T 622165856 71 T 622165856 73 T 622165856 83 T 622165856 99 T 622165856 109 T 622165856 115 T 622165856 120 T 622165856 140 T 622165856 156 T 622165856 160 T 622165856 163 T 622165856 164 T 622165856 166 T 622165856 183 T 622165856 187 T 622165856 188 T 622165856 189 T 622165856 190 T 622165856 195 T 622165856 197 T 622165856 199 T 622165856 215 T 622165856 223 T 622165856 226 T 622165856 229 T 622165856 237 T 622165856 250 T 622165856 255 T 622165856 257 T 622165856 263 T 622165856 264 T 622165856 265 T 622165856 271 T 622165856 281 T 622165856 288 T 622165856 290 T 622165856 293 T 622165856 306 T 622165856 309 T 622165856 310 T 622165856 321 T 622165856 327 T 622165856 333 T 622165856 336 T 622165856 338 T 622165856 339 T 622165856 342 T 622165856 347 T 622165856 358 T 622165856 360 T 622165856 361 T 622165856 366 T 622165856 372 T 622165856 382 T 622165856 383 T 622165856 384 T 622165856 394 T 622165856 398 T 622165856 399 T 622165856 402 T 622165856 408 T 622165856 409 T 622165856 416 T 622165856 420 T 622165856 421 T 622165856 422 T 622165856 430 T 622165856 435 T 622165856 458 T 622165856 464 T 622165856 468 T 622165856 469 T 622165856 472 T 622165856 473 T 622165856 479 T 622165856 482 T 622165856 486 T 622165856 489 T 622165856 490 T 622165856 492 T 622165856 495 T 622165856 496 T 622165856 503 T 622165856 504 T 622165856 505 T 622165856 508 T 622165856 516 T 622165856 518 T 622165856 520 T 622165856 525 T 622165856 527 T 622165856 528 T 622165856 532 T 622165856 536 T 622165856 540 T 622165856 555 T 622165856 565 T 622165856 569 T 622165856 571 T 622165856 3 T 622165856 4 T 622165856 5 T 622165856 8 T 622165856 13 T 622165856 62 T 622165856 75 T 622165856 89 T 622165856 93 T 622165856 94 T 622165856 97 T 622165856 130 T 622165856 133 T 622165856 157 T 622165856 161 T 622165856 165 T 622165856 177 T 622165856 232 T 622165856 238 T 622165856 242 T 622165856 248 T 622165856 249 T 622165856 300 T 622165856 308 T 622165856 312 T 622165856 324 T 622165856 330 T 622165856 349 T 622165856 350 T 622165856 363 T 622165856 364 T 622165856 374 T 622165856 379 T 622165856 386 T 622165856 391 T 622165856 395 T 622165856 404 T 622165856 411 T 622165856 424 T 622165856 425 T 622165856 426 T 622165856 427 T 622165856 438 T 622165856 445 T 622165856 450 T 622165856 452 T 622165856 453 T 622165856 462 T 622165856 477 T 622165856 480 T 622165856 484 T 622165856 485 T 622165856 488 T 622165856 493 T 622165856 500 T 622165856 501 T 622165856 513 T 622165856 515 T 622165856 517 T 622165856 530 T 622165856 535 T 622165856 545 T 622165856 547 T 622165856 553 T 622165856 559 T 622165856 560 T 622165856 567 T 622165856 570 STOP ********** Program terminated normally. STOP ********** Program terminated normally. THERE ARE 5 FAMILIES OF CONFORMATIONS 1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -3.65172E+00 AVE RMSD 3.31 1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering ENERGY -1.19893E+00 RMS 3.55 1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -3.50097E+00 AVE RMSD 2.71 1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering ENERGY -1.18888E+00 RMS 2.78 1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -3.39950E+00 AVE RMSD 3.24 1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering ENERGY -1.18712E+00 RMS 3.08 1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -3.34792E+00 AVE RMSD 2.85 1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering ENERGY -1.19872E+00 RMS 3.03 1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -2.98278E+00 AVE RMSD 5.18 1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering ENERGY -1.19821E+00 RMS 4.47
