AMBER8 Module: addles set up Locally Enhanced Sampling topology add_les> file rprm name=(str1.prmtop) read The following unit number was assigned 26 | New format PARM file being parsed. | Version = 1.000 Date = 04/20/06 Time = 11:36:32 Checking topology sizes against compiled limits Checking topology sizes against compiled limits add_les> file rcrd name=(str1.inpcrd) pack=2 read The following unit number was assigned 27 urcrd: 27 Coordinates only from unit 27 Reading coordinates from input file Reading coordinates from input file add_les> file wprm name=(neb.prmtop) wovr The following unit number was assigned 28 add_les> file wcrd name=(neb.inpcrd) wovr The following unit number was assigned 29 add_les> action add_les> ~ use original mass add_les> omas All masses will be left at initial values add_les> pimd writing pimd prmtop add_les> ~ make 30 copies of atom 1 to 22 (the whole system) add_les> space numc=30 pick #prt 1 22 done picking from 22 particles atom, #, orig atom #, copies to make: HH31 1 1 30 atom, #, orig atom #, copies to make: CH3 2 2 30 atom, #, orig atom #, copies to make: HH32 3 3 30 atom, #, orig atom #, copies to make: HH33 4 4 30 atom, #, orig atom #, copies to make: C 5 5 30 atom, #, orig atom #, copies to make: O 6 6 30 atom, #, orig atom #, copies to make: N 7 7 30 atom, #, orig atom #, copies to make: H 8 8 30 atom, #, orig atom #, copies to make: CA 9 9 30 atom, #, orig atom #, copies to make: HA 10 10 30 atom, #, orig atom #, copies to make: CB 11 11 30 atom, #, orig atom #, copies to make: HB1 12 12 30 atom, #, orig atom #, copies to make: HB2 13 13 30 atom, #, orig atom #, copies to make: HB3 14 14 30 atom, #, orig atom #, copies to make: C 15 15 30 atom, #, orig atom #, copies to make: O 16 16 30 atom, #, orig atom #, copies to make: N 17 17 30 atom, #, orig atom #, copies to make: H 18 18 30 atom, #, orig atom #, copies to make: CH3 19 19 30 atom, #, orig atom #, copies to make: HH31 20 20 30 atom, #, orig atom #, copies to make: HH32 21 21 30 atom, #, orig atom #, copies to make: HH33 22 22 30 Picked 22 particles Making 30 copies there were 22 particles; currently 660 particles there were 12 nbonh bonds, now there are 360 there were 9 nbona bonds, now there are 270 there were 0 nbper bonds, now there are 0 there were 25 ntheth angles, now there are 750 there were 11 ntheta angles, now there are 330 there were 0 ngper angles, now there are 0 there were 42 nphih torsions, now there are 1260 there were 20 nphia torsions, now there are 600 there were 0 ndper torsions, now there are 0 processing exclusion list finished creating LES subspace Checking topology sizes against compiled limits add_les> *EOD Finished reading subspace definitions. Looking for unique atom and covalent types There were 8 bond types, now there are 16 There were 16 angle types, now there are 32 There were 20 dihedral types, now there are 40 There were 7 atom typesNow there are 7 MAX # ATOMS IN A SINGLE RESIDUE = 300 ATOM origpt ATOM 1 original atom # 1 ATOM 2 original atom # 1 ATOM 3 original atom # 1 ATOM 4 original atom # 1 ATOM 5 original atom # 1 ATOM 6 original atom # 1 ATOM 7 original atom # 1 ATOM 8 original atom # 1 ATOM 9 original atom # 1 ATOM 10 original atom # 1 ATOM 11 original atom # 1 ATOM 12 original atom # 1 ATOM 13 original atom # 1 ATOM 14 original atom # 1 ATOM 15 original atom # 1 ATOM 16 original atom # 1 ATOM 17 original atom # 1 ATOM 18 original atom # 1 ATOM 19 original atom # 1 ATOM 20 original atom # 1 ATOM 21 original atom # 1 ATOM 22 original atom # 1 ATOM 23 original atom # 1 ATOM 24 original atom # 1 ATOM 25 original atom # 1 ATOM 26 original atom # 1 ATOM 27 original atom # 1 ATOM 28 original atom # 1 ATOM 29 original atom # 1 ATOM 30 original atom # 1 ATOM 31 original atom # 2 ATOM 32 original atom # 2 ATOM 33 original atom # 2 ATOM 34 original atom # 2 ATOM 35 original atom # 2 ATOM 36 original atom # 2 ATOM 37 original atom # 2 ATOM 38 original atom # 2 ATOM 39 original atom # 2 ATOM 40 original atom # 2 ATOM 41 original atom # 2 ATOM 42 original atom # 2 ATOM 43 original atom # 2 ATOM 44 original atom # 2 ATOM 45 original atom # 2 ATOM 46 original atom # 2 ATOM 47 original atom # 2 ATOM 48 original atom # 2 ATOM 49 original atom # 2 ATOM 50 original atom # 2 ATOM 51 original atom # 2 ATOM 52 original atom # 2 ATOM 53 original atom # 2 ATOM 54 original atom # 2 ATOM 55 original atom # 2 ATOM 56 original atom # 2 ATOM 57 original atom # 2 ATOM 58 original atom # 2 ATOM 59 original atom # 2 ATOM 60 original atom # 2 ATOM 61 original atom # 3 ATOM 62 original atom # 3 ATOM 63 original atom # 3 ATOM 64 original atom # 3 ATOM 65 original atom # 3 ATOM 66 original atom # 3 ATOM 67 original atom # 3 ATOM 68 original atom # 3 ATOM 69 original atom # 3 ATOM 70 original atom # 3 ATOM 71 original atom # 3 ATOM 72 original atom # 3 ATOM 73 original atom # 3 ATOM 74 original atom # 3 ATOM 75 original atom # 3 ATOM 76 original atom # 3 ATOM 77 original atom # 3 ATOM 78 original atom # 3 ATOM 79 original atom # 3 ATOM 80 original atom # 3 ATOM 81 original atom # 3 ATOM 82 original atom # 3 ATOM 83 original atom # 3 ATOM 84 original atom # 3 ATOM 85 original atom # 3 ATOM 86 original atom # 3 ATOM 87 original atom # 3 ATOM 88 original atom # 3 ATOM 89 original atom # 3 ATOM 90 original atom # 3 ATOM 91 original atom # 4 ATOM 92 original atom # 4 ATOM 93 original atom # 4 ATOM 94 original atom # 4 ATOM 95 original atom # 4 ATOM 96 original atom # 4 ATOM 97 original atom # 4 ATOM 98 original atom # 4 ATOM 99 original atom # 4 ATOM 100 original atom # 4 ATOM 101 original atom # 4 ATOM 102 original atom # 4 ATOM 103 original atom # 4 ATOM 104 original atom # 4 ATOM 105 original atom # 4 ATOM 106 original atom # 4 ATOM 107 original atom # 4 ATOM 108 original atom # 4 ATOM 109 original atom # 4 ATOM 110 original atom # 4 ATOM 111 original atom # 4 ATOM 112 original atom # 4 ATOM 113 original atom # 4 ATOM 114 original atom # 4 ATOM 115 original atom # 4 ATOM 116 original atom # 4 ATOM 117 original atom # 4 ATOM 118 original atom # 4 ATOM 119 original atom # 4 ATOM 120 original atom # 4 ATOM 121 original atom # 5 ATOM 122 original atom # 5 ATOM 123 original atom # 5 ATOM 124 original atom # 5 ATOM 125 original atom # 5 ATOM 126 original atom # 5 ATOM 127 original atom # 5 ATOM 128 original atom # 5 ATOM 129 original atom # 5 ATOM 130 original atom # 5 ATOM 131 original atom # 5 ATOM 132 original atom # 5 ATOM 133 original atom # 5 ATOM 134 original atom # 5 ATOM 135 original atom # 5 ATOM 136 original atom # 5 ATOM 137 original atom # 5 ATOM 138 original atom # 5 ATOM 139 original atom # 5 ATOM 140 original atom # 5 ATOM 141 original atom # 5 ATOM 142 original atom # 5 ATOM 143 original atom # 5 ATOM 144 original atom # 5 ATOM 145 original atom # 5 ATOM 146 original atom # 5 ATOM 147 original atom # 5 ATOM 148 original atom # 5 ATOM 149 original atom # 5 ATOM 150 original atom # 5 ATOM 151 original atom # 6 ATOM 152 original atom # 6 ATOM 153 original atom # 6 ATOM 154 original atom # 6 ATOM 155 original atom # 6 ATOM 156 original atom # 6 ATOM 157 original atom # 6 ATOM 158 original atom # 6 ATOM 159 original atom # 6 ATOM 160 original atom # 6 ATOM 161 original atom # 6 ATOM 162 original atom # 6 ATOM 163 original atom # 6 ATOM 164 original atom # 6 ATOM 165 original atom # 6 ATOM 166 original atom # 6 ATOM 167 original atom # 6 ATOM 168 original atom # 6 ATOM 169 original atom # 6 ATOM 170 original atom # 6 ATOM 171 original atom # 6 ATOM 172 original atom # 6 ATOM 173 original atom # 6 ATOM 174 original atom # 6 ATOM 175 original atom # 6 ATOM 176 original atom # 6 ATOM 177 original atom # 6 ATOM 178 original atom # 6 ATOM 179 original atom # 6 ATOM 180 original atom # 6 ATOM 181 original atom # 7 ATOM 182 original atom # 7 ATOM 183 original atom # 7 ATOM 184 original atom # 7 ATOM 185 original atom # 7 ATOM 186 original atom # 7 ATOM 187 original atom # 7 ATOM 188 original atom # 7 ATOM 189 original atom # 7 ATOM 190 original atom # 7 ATOM 191 original atom # 7 ATOM 192 original atom # 7 ATOM 193 original atom # 7 ATOM 194 original atom # 7 ATOM 195 original atom # 7 ATOM 196 original atom # 7 ATOM 197 original atom # 7 ATOM 198 original atom # 7 ATOM 199 original atom # 7 ATOM 200 original atom # 7 ATOM 201 original atom # 7 ATOM 202 original atom # 7 ATOM 203 original atom # 7 ATOM 204 original atom # 7 ATOM 205 original atom # 7 ATOM 206 original atom # 7 ATOM 207 original atom # 7 ATOM 208 original atom # 7 ATOM 209 original atom # 7 ATOM 210 original atom # 7 ATOM 211 original atom # 8 ATOM 212 original atom # 8 ATOM 213 original atom # 8 ATOM 214 original atom # 8 ATOM 215 original atom # 8 ATOM 216 original atom # 8 ATOM 217 original atom # 8 ATOM 218 original atom # 8 ATOM 219 original atom # 8 ATOM 220 original atom # 8 ATOM 221 original atom # 8 ATOM 222 original atom # 8 ATOM 223 original atom # 8 ATOM 224 original atom # 8 ATOM 225 original atom # 8 ATOM 226 original atom # 8 ATOM 227 original atom # 8 ATOM 228 original atom # 8 ATOM 229 original atom # 8 ATOM 230 original atom # 8 ATOM 231 original atom # 8 ATOM 232 original atom # 8 ATOM 233 original atom # 8 ATOM 234 original atom # 8 ATOM 235 original atom # 8 ATOM 236 original atom # 8 ATOM 237 original atom # 8 ATOM 238 original atom # 8 ATOM 239 original atom # 8 ATOM 240 original atom # 8 ATOM 241 original atom # 9 ATOM 242 original atom # 9 ATOM 243 original atom # 9 ATOM 244 original atom # 9 ATOM 245 original atom # 9 ATOM 246 original atom # 9 ATOM 247 original atom # 9 ATOM 248 original atom # 9 ATOM 249 original atom # 9 ATOM 250 original atom # 9 ATOM 251 original atom # 9 ATOM 252 original atom # 9 ATOM 253 original atom # 9 ATOM 254 original atom # 9 ATOM 255 original atom # 9 ATOM 256 original atom # 9 ATOM 257 original atom # 9 ATOM 258 original atom # 9 ATOM 259 original atom # 9 ATOM 260 original atom # 9 ATOM 261 original atom # 9 ATOM 262 original atom # 9 ATOM 263 original atom # 9 ATOM 264 original atom # 9 ATOM 265 original atom # 9 ATOM 266 original atom # 9 ATOM 267 original atom # 9 ATOM 268 original atom # 9 ATOM 269 original atom # 9 ATOM 270 original atom # 9 ATOM 271 original atom # 10 ATOM 272 original atom # 10 ATOM 273 original atom # 10 ATOM 274 original atom # 10 ATOM 275 original atom # 10 ATOM 276 original atom # 10 ATOM 277 original atom # 10 ATOM 278 original atom # 10 ATOM 279 original atom # 10 ATOM 280 original atom # 10 ATOM 281 original atom # 10 ATOM 282 original atom # 10 ATOM 283 original atom # 10 ATOM 284 original atom # 10 ATOM 285 original atom # 10 ATOM 286 original atom # 10 ATOM 287 original atom # 10 ATOM 288 original atom # 10 ATOM 289 original atom # 10 ATOM 290 original atom # 10 ATOM 291 original atom # 10 ATOM 292 original atom # 10 ATOM 293 original atom # 10 ATOM 294 original atom # 10 ATOM 295 original atom # 10 ATOM 296 original atom # 10 ATOM 297 original atom # 10 ATOM 298 original atom # 10 ATOM 299 original atom # 10 ATOM 300 original atom # 10 ATOM 301 original atom # 11 ATOM 302 original atom # 11 ATOM 303 original atom # 11 ATOM 304 original atom # 11 ATOM 305 original atom # 11 ATOM 306 original atom # 11 ATOM 307 original atom # 11 ATOM 308 original atom # 11 ATOM 309 original atom # 11 ATOM 310 original atom # 11 ATOM 311 original atom # 11 ATOM 312 original atom # 11 ATOM 313 original atom # 11 ATOM 314 original atom # 11 ATOM 315 original atom # 11 ATOM 316 original atom # 11 ATOM 317 original atom # 11 ATOM 318 original atom # 11 ATOM 319 original atom # 11 ATOM 320 original atom # 11 ATOM 321 original atom # 11 ATOM 322 original atom # 11 ATOM 323 original atom # 11 ATOM 324 original atom # 11 ATOM 325 original atom # 11 ATOM 326 original atom # 11 ATOM 327 original atom # 11 ATOM 328 original atom # 11 ATOM 329 original atom # 11 ATOM 330 original atom # 11 ATOM 331 original atom # 12 ATOM 332 original atom # 12 ATOM 333 original atom # 12 ATOM 334 original atom # 12 ATOM 335 original atom # 12 ATOM 336 original atom # 12 ATOM 337 original atom # 12 ATOM 338 original atom # 12 ATOM 339 original atom # 12 ATOM 340 original atom # 12 ATOM 341 original atom # 12 ATOM 342 original atom # 12 ATOM 343 original atom # 12 ATOM 344 original atom # 12 ATOM 345 original atom # 12 ATOM 346 original atom # 12 ATOM 347 original atom # 12 ATOM 348 original atom # 12 ATOM 349 original atom # 12 ATOM 350 original atom # 12 ATOM 351 original atom # 12 ATOM 352 original atom # 12 ATOM 353 original atom # 12 ATOM 354 original atom # 12 ATOM 355 original atom # 12 ATOM 356 original atom # 12 ATOM 357 original atom # 12 ATOM 358 original atom # 12 ATOM 359 original atom # 12 ATOM 360 original atom # 12 ATOM 361 original atom # 13 ATOM 362 original atom # 13 ATOM 363 original atom # 13 ATOM 364 original atom # 13 ATOM 365 original atom # 13 ATOM 366 original atom # 13 ATOM 367 original atom # 13 ATOM 368 original atom # 13 ATOM 369 original atom # 13 ATOM 370 original atom # 13 ATOM 371 original atom # 13 ATOM 372 original atom # 13 ATOM 373 original atom # 13 ATOM 374 original atom # 13 ATOM 375 original atom # 13 ATOM 376 original atom # 13 ATOM 377 original atom # 13 ATOM 378 original atom # 13 ATOM 379 original atom # 13 ATOM 380 original atom # 13 ATOM 381 original atom # 13 ATOM 382 original atom # 13 ATOM 383 original atom # 13 ATOM 384 original atom # 13 ATOM 385 original atom # 13 ATOM 386 original atom # 13 ATOM 387 original atom # 13 ATOM 388 original atom # 13 ATOM 389 original atom # 13 ATOM 390 original atom # 13 ATOM 391 original atom # 14 ATOM 392 original atom # 14 ATOM 393 original atom # 14 ATOM 394 original atom # 14 ATOM 395 original atom # 14 ATOM 396 original atom # 14 ATOM 397 original atom # 14 ATOM 398 original atom # 14 ATOM 399 original atom # 14 ATOM 400 original atom # 14 ATOM 401 original atom # 14 ATOM 402 original atom # 14 ATOM 403 original atom # 14 ATOM 404 original atom # 14 ATOM 405 original atom # 14 ATOM 406 original atom # 14 ATOM 407 original atom # 14 ATOM 408 original atom # 14 ATOM 409 original atom # 14 ATOM 410 original atom # 14 ATOM 411 original atom # 14 ATOM 412 original atom # 14 ATOM 413 original atom # 14 ATOM 414 original atom # 14 ATOM 415 original atom # 14 ATOM 416 original atom # 14 ATOM 417 original atom # 14 ATOM 418 original atom # 14 ATOM 419 original atom # 14 ATOM 420 original atom # 14 ATOM 421 original atom # 15 ATOM 422 original atom # 15 ATOM 423 original atom # 15 ATOM 424 original atom # 15 ATOM 425 original atom # 15 ATOM 426 original atom # 15 ATOM 427 original atom # 15 ATOM 428 original atom # 15 ATOM 429 original atom # 15 ATOM 430 original atom # 15 ATOM 431 original atom # 15 ATOM 432 original atom # 15 ATOM 433 original atom # 15 ATOM 434 original atom # 15 ATOM 435 original atom # 15 ATOM 436 original atom # 15 ATOM 437 original atom # 15 ATOM 438 original atom # 15 ATOM 439 original atom # 15 ATOM 440 original atom # 15 ATOM 441 original atom # 15 ATOM 442 original atom # 15 ATOM 443 original atom # 15 ATOM 444 original atom # 15 ATOM 445 original atom # 15 ATOM 446 original atom # 15 ATOM 447 original atom # 15 ATOM 448 original atom # 15 ATOM 449 original atom # 15 ATOM 450 original atom # 15 ATOM 451 original atom # 16 ATOM 452 original atom # 16 ATOM 453 original atom # 16 ATOM 454 original atom # 16 ATOM 455 original atom # 16 ATOM 456 original atom # 16 ATOM 457 original atom # 16 ATOM 458 original atom # 16 ATOM 459 original atom # 16 ATOM 460 original atom # 16 ATOM 461 original atom # 16 ATOM 462 original atom # 16 ATOM 463 original atom # 16 ATOM 464 original atom # 16 ATOM 465 original atom # 16 ATOM 466 original atom # 16 ATOM 467 original atom # 16 ATOM 468 original atom # 16 ATOM 469 original atom # 16 ATOM 470 original atom # 16 ATOM 471 original atom # 16 ATOM 472 original atom # 16 ATOM 473 original atom # 16 ATOM 474 original atom # 16 ATOM 475 original atom # 16 ATOM 476 original atom # 16 ATOM 477 original atom # 16 ATOM 478 original atom # 16 ATOM 479 original atom # 16 ATOM 480 original atom # 16 ATOM 481 original atom # 17 ATOM 482 original atom # 17 ATOM 483 original atom # 17 ATOM 484 original atom # 17 ATOM 485 original atom # 17 ATOM 486 original atom # 17 ATOM 487 original atom # 17 ATOM 488 original atom # 17 ATOM 489 original atom # 17 ATOM 490 original atom # 17 ATOM 491 original atom # 17 ATOM 492 original atom # 17 ATOM 493 original atom # 17 ATOM 494 original atom # 17 ATOM 495 original atom # 17 ATOM 496 original atom # 17 ATOM 497 original atom # 17 ATOM 498 original atom # 17 ATOM 499 original atom # 17 ATOM 500 original atom # 17 ATOM 501 original atom # 17 ATOM 502 original atom # 17 ATOM 503 original atom # 17 ATOM 504 original atom # 17 ATOM 505 original atom # 17 ATOM 506 original atom # 17 ATOM 507 original atom # 17 ATOM 508 original atom # 17 ATOM 509 original atom # 17 ATOM 510 original atom # 17 ATOM 511 original atom # 18 ATOM 512 original atom # 18 ATOM 513 original atom # 18 ATOM 514 original atom # 18 ATOM 515 original atom # 18 ATOM 516 original atom # 18 ATOM 517 original atom # 18 ATOM 518 original atom # 18 ATOM 519 original atom # 18 ATOM 520 original atom # 18 ATOM 521 original atom # 18 ATOM 522 original atom # 18 ATOM 523 original atom # 18 ATOM 524 original atom # 18 ATOM 525 original atom # 18 ATOM 526 original atom # 18 ATOM 527 original atom # 18 ATOM 528 original atom # 18 ATOM 529 original atom # 18 ATOM 530 original atom # 18 ATOM 531 original atom # 18 ATOM 532 original atom # 18 ATOM 533 original atom # 18 ATOM 534 original atom # 18 ATOM 535 original atom # 18 ATOM 536 original atom # 18 ATOM 537 original atom # 18 ATOM 538 original atom # 18 ATOM 539 original atom # 18 ATOM 540 original atom # 18 ATOM 541 original atom # 19 ATOM 542 original atom # 19 ATOM 543 original atom # 19 ATOM 544 original atom # 19 ATOM 545 original atom # 19 ATOM 546 original atom # 19 ATOM 547 original atom # 19 ATOM 548 original atom # 19 ATOM 549 original atom # 19 ATOM 550 original atom # 19 ATOM 551 original atom # 19 ATOM 552 original atom # 19 ATOM 553 original atom # 19 ATOM 554 original atom # 19 ATOM 555 original atom # 19 ATOM 556 original atom # 19 ATOM 557 original atom # 19 ATOM 558 original atom # 19 ATOM 559 original atom # 19 ATOM 560 original atom # 19 ATOM 561 original atom # 19 ATOM 562 original atom # 19 ATOM 563 original atom # 19 ATOM 564 original atom # 19 ATOM 565 original atom # 19 ATOM 566 original atom # 19 ATOM 567 original atom # 19 ATOM 568 original atom # 19 ATOM 569 original atom # 19 ATOM 570 original atom # 19 ATOM 571 original atom # 20 ATOM 572 original atom # 20 ATOM 573 original atom # 20 ATOM 574 original atom # 20 ATOM 575 original atom # 20 ATOM 576 original atom # 20 ATOM 577 original atom # 20 ATOM 578 original atom # 20 ATOM 579 original atom # 20 ATOM 580 original atom # 20 ATOM 581 original atom # 20 ATOM 582 original atom # 20 ATOM 583 original atom # 20 ATOM 584 original atom # 20 ATOM 585 original atom # 20 ATOM 586 original atom # 20 ATOM 587 original atom # 20 ATOM 588 original atom # 20 ATOM 589 original atom # 20 ATOM 590 original atom # 20 ATOM 591 original atom # 20 ATOM 592 original atom # 20 ATOM 593 original atom # 20 ATOM 594 original atom # 20 ATOM 595 original atom # 20 ATOM 596 original atom # 20 ATOM 597 original atom # 20 ATOM 598 original atom # 20 ATOM 599 original atom # 20 ATOM 600 original atom # 20 ATOM 601 original atom # 21 ATOM 602 original atom # 21 ATOM 603 original atom # 21 ATOM 604 original atom # 21 ATOM 605 original atom # 21 ATOM 606 original atom # 21 ATOM 607 original atom # 21 ATOM 608 original atom # 21 ATOM 609 original atom # 21 ATOM 610 original atom # 21 ATOM 611 original atom # 21 ATOM 612 original atom # 21 ATOM 613 original atom # 21 ATOM 614 original atom # 21 ATOM 615 original atom # 21 ATOM 616 original atom # 21 ATOM 617 original atom # 21 ATOM 618 original atom # 21 ATOM 619 original atom # 21 ATOM 620 original atom # 21 ATOM 621 original atom # 21 ATOM 622 original atom # 21 ATOM 623 original atom # 21 ATOM 624 original atom # 21 ATOM 625 original atom # 21 ATOM 626 original atom # 21 ATOM 627 original atom # 21 ATOM 628 original atom # 21 ATOM 629 original atom # 21 ATOM 630 original atom # 21 ATOM 631 original atom # 22 ATOM 632 original atom # 22 ATOM 633 original atom # 22 ATOM 634 original atom # 22 ATOM 635 original atom # 22 ATOM 636 original atom # 22 ATOM 637 original atom # 22 ATOM 638 original atom # 22 ATOM 639 original atom # 22 ATOM 640 original atom # 22 ATOM 641 original atom # 22 ATOM 642 original atom # 22 ATOM 643 original atom # 22 ATOM 644 original atom # 22 ATOM 645 original atom # 22 ATOM 646 original atom # 22 ATOM 647 original atom # 22 ATOM 648 original atom # 22 ATOM 649 original atom # 22 ATOM 650 original atom # 22 ATOM 651 original atom # 22 ATOM 652 original atom # 22 ATOM 653 original atom # 22 ATOM 654 original atom # 22 ATOM 655 original atom # 22 ATOM 656 original atom # 22 ATOM 657 original atom # 22 ATOM 658 original atom # 22 ATOM 659 original atom # 22 ATOM 660 original atom # 22 Writing coordinates to output file Successful completion of ADDLES