Tuesday, April 30 2024 17:26:09
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CTEST_FULL_OUTPUT wrong number of coordinates in xdr3dfcoor; -1 arg vs 42 in file JESTEM T 65 1 T 65 5 T 65 8 T 65 10 T 65 11 T 65 12 T 65 15 T 65 16 T 65 19 T 65 20 T 65 22 T 65 23 T 65 24 T 65 26 T 65 27 T 65 28 T 65 30 T 65 34 T 65 35 T 65 36 T 65 39 T 65 41 T 65 44 T 65 45 T 65 52 T 65 60 T 65 62 T 65 68 T 65 73 T 65 74 T 65 75 T 65 76 T 65 77 T 65 83 T 65 87 T 65 91 T 65 97 T 65 98 T 65 104 T 65 110 T 65 111 T 65 113 T 65 114 T 65 115 T 65 117 T 65 121 T 65 124 T 65 128 T 65 129 T 65 134 T 65 137 T 65 138 T 65 141 T 65 146 T 65 147 T 65 151 T 65 155 T 65 161 T 65 164 T 65 175 T 65 177 T 65 178 T 65 183 T 65 186 T 65 193 T 65 196 T 65 205 T 65 211 T 65 216 T 65 219 T 65 220 T 65 221 T 65 226 T 65 229 T 65 231 T 65 234 T 65 238 T 65 250 T 65 252 T 65 257 T 65 259 T 65 261 T 65 265 T 65 269 T 65 271 T 65 277 T 65 278 T 65 283 T 65 291 T 65 294 T 65 298 T 65 299 T 65 303 T 65 307 T 65 312 T 65 316 T 65 318 T 65 319 T 65 323 T 65 327 T 65 331 T 65 338 T 65 344 T 65 346 T 65 347 T 65 353 T 65 355 T 65 356 T 65 358 T 65 359 T 65 362 T 65 373 T 65 374 T 65 378 T 65 386 T 65 389 T 65 394 T 65 405 T 65 413 T 65 416 T 65 420 T 65 429 T 65 439 T 65 440 T 65 441 T 65 447 T 65 448 T 65 453 T 65 478 T 65 479 T 65 489 T 65 499 T 65 510 T 65 513 T 65 537 T 65 538 T 65 544 T 65 545 T 65 552 T 65 554 T 65 560 T 65 563 T 65 571 T 65 2 T 65 6 T 65 9 T 65 17 T 65 29 T 65 31 T 65 40 T 65 47 T 65 49 T 65 55 T 65 57 T 65 66 T 65 70 T 65 81 T 65 82 T 65 84 T 65 89 T 65 90 T 65 92 T 65 93 T 65 94 T 65 100 T 65 101 T 65 107 T 65 118 T 65 119 T 65 120 T 65 123 T 65 125 T 65 131 T 65 132 T 65 133 T 65 143 T 65 145 T 65 150 T 65 152 T 65 153 T 65 159 T 65 162 T 65 166 T 65 172 T 65 173 T 65 180 T 65 182 T 65 191 T 65 194 T 65 203 T 65 204 T 65 207 T 65 210 T 65 213 T 65 222 T 65 228 T 65 232 T 65 235 T 65 240 T 65 241 T 65 246 T 65 251 T 65 256 T 65 258 T 65 262 T 65 270 T 65 272 T 65 273 T 65 275 T 65 279 T 65 281 T 65 284 T 65 285 T 65 286 T 65 288 T 65 290 T 65 296 T 65 301 T 65 305 T 65 308 T 65 315 T 65 321 T 65 324 T 65 325 T 65 330 T 65 333 T 65 336 T 65 337 T 65 350 T 65 369 T 65 370 T 65 377 T 65 379 T 65 380 T 65 387 T 65 388 T 65 395 T 65 398 T 65 403 T 65 419 T 65 423 T 65 428 T 65 436 T 65 445 T 65 452 T 65 456 T 65 457 T 65 459 T 65 461 T 65 462 T 65 463 T 65 464 T 65 467 T 65 471 T 65 475 T 65 476 T 65 497 T 65 498 T 65 500 T 65 506 T 65 507 T 65 511 T 65 521 T 65 530 T 65 534 T 65 539 T 65 550 T 65 551 T 65 559 T 65 568 T 65 575 T 65 3 T 65 21 T 65 33 T 65 43 T 65 51 T 65 54 T 65 58 T 65 64 T 65 67 T 65 69 T 65 71 T 65 79 T 65 85 T 65 96 T 65 99 T 65 102 T 65 122 T 65 126 T 65 127 T 65 130 T 65 135 T 65 140 T 65 142 T 65 148 T 65 149 T 65 154 T 65 165 T 65 167 T 65 168 T 65 171 T 65 176 T 65 179 T 65 181 T 65 192 T 65 197 T 65 198 T 65 199 T 65 201 T 65 206 T 65 208 T 65 209 T 65 212 T 65 214 T 65 215 T 65 217 T 65 223 T 65 227 T 65 233 T 65 236 T 65 242 T 65 243 T 65 245 T 65 260 T 65 267 T 65 268 T 65 276 T 65 280 T 65 289 T 65 292 T 65 297 T 65 300 T 65 302 T 65 311 T 65 314 T 65 322 T 65 329 T 65 341 T 65 343 T 65 345 T 65 349 T 65 357 T 65 363 T 65 366 T 65 368 T 65 371 T 65 375 T 65 385 T 65 391 T 65 400 T 65 402 T 65 404 T 65 406 T 65 409 T 65 410 T 65 412 T 65 415 T 65 424 T 65 432 T 65 433 T 65 434 T 65 437 T 65 442 T 65 443 T 65 444 T 65 446 T 65 449 T 65 460 T 65 469 T 65 473 T 65 477 T 65 487 T 65 492 T 65 509 T 65 512 T 65 517 T 65 519 T 65 523 T 65 524 T 65 526 T 65 528 T 65 533 T 65 540 T 65 541 T 65 542 T 65 546 T 65 548 T 65 553 T 65 556 T 65 558 T 65 564 T 65 566 T 65 572 T 65 573 T 65 4 T 65 7 T 65 13 T 65 14 T 65 18 T 65 37 T 65 38 T 65 48 T 65 50 T 65 53 T 65 56 T 65 59 T 65 61 T 65 65 T 65 72 T 65 78 T 65 86 T 65 95 T 65 109 T 65 112 T 65 116 T 65 136 T 65 156 T 65 157 T 65 158 T 65 160 T 65 169 T 65 184 T 65 187 T 65 188 T 65 189 T 65 190 T 65 195 T 65 200 T 65 202 T 65 218 T 65 224 T 65 225 T 65 230 T 65 237 T 65 248 T 65 253 T 65 255 T 65 263 T 65 264 T 65 266 T 65 274 T 65 282 T 65 287 T 65 293 T 65 295 T 65 304 T 65 309 T 65 310 T 65 320 T 65 328 T 65 334 T 65 335 T 65 339 T 65 340 T 65 Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO STOP ********** Program terminated normally. Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO STOP ********** Program terminated normally. 342 T 65 348 T 65 354 T 65 360 T 65 365 T 65 367 T 65 372 T 65 381 T 65 383 T 65 384 T 65 392 T 65 396 T 65 397 T 65 401 T 65 408 T 65 411 T 65 417 T 65 418 T 65 421 T 65 422 T 65 430 T 65 435 T 65 458 T 65 465 T 65 468 T 65 470 T 65 472 T 65 474 T 65 480 T 65 482 T 65 483 T 65 488 T 65 490 T 65 491 T 65 494 T 65 496 T 65 501 T 65 502 T 65 504 T 65 508 T 65 516 T 65 518 T 65 520 T 65 525 T 65 527 T 65 529 T 65 532 T 65 535 T 65 543 T 65 555 T 65 565 T 65 569 T 65 570 T 65 25 T 65 32 T 65 42 T 65 46 T 65 63 T 65 80 T 65 88 T 65 103 T 65 105 T 65 106 T 65 108 T 65 139 T 65 144 T 65 163 T 65 170 T 65 174 T 65 185 T 65 239 T 65 244 T 65 247 T 65 249 T 65 254 T 65 306 T 65 313 T 65 317 T 65 326 T 65 332 T 65 351 T 65 352 T 65 361 T 65 364 T 65 376 T 65 382 T 65 390 T 65 393 T 65 399 T 65 407 T 65 414 T 65 425 T 65 426 T 65 427 T 65 431 T 65 438 T 65 450 T 65 451 T 65 454 T 65 455 T 65 466 T 65 481 T 65 484 T 65 485 T 65 486 T 65 493 T 65 495 T 65 503 T 65 505 T 65 514 T 65 515 T 65 522 T 65 531 T 65 536 T 65 547 T 65 549 T 65 557 T 65 561 T 65 562 T 65 567 T 65 574 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
