examples/unres/CSA/CASP5/CSA/run1/output/1fsd_CASP5.out_GB026

   1 --------------------------------------------------------------------------------
   2                               FILE ASSIGNMENT
   3 --------------------------------------------------------------------------------
   4  Input file                      : 1fsd_CASP5.inp
   5  Output file                     : 1fsd_CASP5.out_GB026
   6
   7  Sidechain potential file        : /users/adam/UNRES/PARAM/scinter_GB.parm
   8  SCp potential file              : /users/adam/UNRES/PARAM/scp.parm
   9  Electrostatic potential file    : /users/adam/UNRES/PARAM/electr_631Gdp.parm
  10  Cumulant coefficient file       :
  11  /users/adam/UNRES/PARAM/fourier_opt.parm.1igd_iter7n_c
  12  Torsional parameter file        : /users/adam/UNRES/PARAM/torsion_631Gdp.parm
  13  Double torsional parameter file :
  14  /users/adam/UNRES/PARAM/torsion_double_631Gdp.parm
  15  Bending parameter file          : /users/adam/UNRES/PARAM/thetaml.5parm
  16  Rotamer parameter file          : /users/adam/UNRES/PARAM/scgauss.parm
  17  Threading database              : /users/adam/UNRES/PARAM/patterns.cart
  18 --------------------------------------------------------------------------------
  19  ### LAST MODIFIED  7/31/03 10:23PM by czarek
  20  ++++ Compile info ++++
  21  Version 2.0 build 1566
  22  compiled Thu Aug 28 03:23:43 2003
  23  compiled by czarek@scheraga2
  24  OS name:    Linux
  25  OS release: 2.4.20-18.7smp
  26  OS version: #1 SMP Thu May 29 07:49:23 EDT 2003
  27  flags:
  28  INSTALL_DIR = /usr/local/mpich-1.2.0
  29  FC= pgf90
  30  OPT =  -fast -pc 64 -tp p6  \
  31  -Minline=name:scalar2,scalar,transpose2,matvec2...
  32  OPT1 = -C -g -fast -pc 64 -tp p6
  33  FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
  34  FFLAGS1 = -c ${OPT1} -I$(INSTALL_DIR)/include
  35  BIN = ${HOME}/UNRES/NEW/bin/unres_pgf90.exe
  36  LIBS = -L$(INSTALL_DIR)/lib_pgi -lmpich
  37  CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI -DPGI
  38  ARCH = LINUX
  39  PP = /lib/cpp -P
  40  objectCSA = unres_CSA.o arcos.o cartprint.o cha...
  41  ++++ End of compile info ++++
  42  ntortyp            3
  43
  44 Potential is GB , exponents are   6 12
  45 Random seed:             -44865.              -44865
  46  MPI: node=            26  iseed(4)=             0            0          -18
  47        -31706
  48  ran_num   0.7329905033111572
  49 RMSDBC =        3.0
  50 RMSDBC1 =        0.5
  51 RMSDBC1MAX =        1.5
  52 DRMS    =        0.1
  53 RMSDBCM =        3.0
  54 Time limit (min):      60.0
  55
  56 ********************************************************************************
  57                     Options in energy minimization:
  58 ********************************************************************************
  59 MaxMin: 2000 MaxFun: 5000 TolF:   1.00000E-02 RTolF:   1.00000E-04
  60  NCONF_IN            0
  61 Weights of energy terms:
  62  Wsc:    1.000 Wscp:   1.549 Welec:    0.200 Wel_loc   1.511 Wstrain:    1.000
  63
  64  Wtor:    1.705 Wtor_d:    1.244 Wang:    1.006 Wscloc:    0.068 Wcorr:    0.916
  65
  66  Wcorr5:    0.006 Wcorr6:    0.023 Wturn3:    2.008 Wturn4:    0.053 Wturn6:    0.053
  67
  68
  69 Hydrogen-bonding correlation between contact pairs of peptide groups
  70
  71 Scaling factor of 1,4 SC-p interactions:   0.400
  72 General scaling factor of SC-p interactions:   1.000
  73  ns=            0  iss:
  74 Boundaries in phi angle sampling:
  75 D      1    -180.0     180.0
  76 GLN    2    -180.0     180.0
  77 GLN    3    -180.0     180.0
  78 TYR    4    -180.0     180.0
  79 THR    5    -180.0     180.0
  80 ALA    6    -180.0     180.0
  81 LYS    7    -180.0     180.0
  82 ILE    8    -180.0     180.0
  83 LYS    9    -180.0     180.0
  84 GLY   10    -180.0     180.0
  85 ARG   11    -180.0     180.0
  86 THR   12    -180.0     180.0
  87 PHE   13    -180.0     180.0
  88 ARG   14    -180.0     180.0
  89 ASN   15    -180.0     180.0
  90 GLU   16    -180.0     180.0
  91 LYS   17    -180.0     180.0
  92 GLU   18    -180.0     180.0
  93 LEU   19    -180.0     180.0
  94 ARG   20    -180.0     180.0
  95 ASP   21    -180.0     180.0
  96 PHE   22    -180.0     180.0
  97 ILE   23    -180.0     180.0
  98 GLU   24    -180.0     180.0
  99 LYS   25    -180.0     180.0
 100 PHE   26    -180.0     180.0
 101 LYS   27    -180.0     180.0
 102 GLY   28    -180.0     180.0
 103 ARG   29    -180.0     180.0
 104 D     30    -180.0     180.0
 105  NZ_START=            2  NZ_END=           29
 106  IZ_SC=            0
 107
 108 Geometry of the virtual chain.
 109   Res       Theta       Phi       Dsc     Alpha      Omega
 110 D     1     0.000     0.000     0.000     0.000     0.000
 111 GLN   2     0.000     0.000     2.240     0.000     0.000
 112 GLN   3     0.000     0.000     2.240     0.000     0.000
 113 TYR   4     0.000     0.000     2.484     0.000     0.000
 114 THR   5     0.000     0.000     1.393     0.000     0.000
 115 ALA   6     0.000     0.000     0.743     0.000     0.000
 116 LYS   7     0.000     0.000     2.541     0.000     0.000
 117 ILE   8     0.000     0.000     1.776     0.000     0.000
 118 LYS   9     0.000     0.000     2.541     0.000     0.000
 119 GLY  10     0.000     0.000     0.000     0.000     0.000
 120 ARG  11     0.000     0.000     3.020     0.000     0.000
 121 THR  12     0.000     0.000     1.393     0.000     0.000
 122 PHE  13     0.000     0.000     2.299     0.000     0.000
 123 ARG  14     0.000     0.000     3.020     0.000     0.000
 124 ASN  15     0.000     0.000     1.684     0.000     0.000
 125 GLU  16     0.000     0.000     2.254     0.000     0.000
 126 LYS  17     0.000     0.000     2.541     0.000     0.000
 127 GLU  18     0.000     0.000     2.254     0.000     0.000
 128 LEU  19     0.000     0.000     1.939     0.000     0.000
 129 ARG  20     0.000     0.000     3.020     0.000     0.000
 130 ASP  21     0.000     0.000     1.709     0.000     0.000
 131 PHE  22     0.000     0.000     2.299     0.000     0.000
 132 ILE  23     0.000     0.000     1.776     0.000     0.000
 133 GLU  24     0.000     0.000     2.254     0.000     0.000
 134 LYS  25     0.000     0.000     2.541     0.000     0.000
 135 PHE  26     0.000     0.000     2.299     0.000     0.000
 136 LYS  27     0.000     0.000     2.541     0.000     0.000
 137 GLY  28     0.000     0.000     0.000     0.000     0.000
 138 ARG  29     0.000     0.000     3.020     0.000     0.000
 139 D    30     0.000     0.000     0.000     0.000     0.000
 140 CSA calculations calculation.
 141
 142 Conformations will be energy-minimized.
 143 ********************************************************************************
 144
 145 Waiting for     1.3277 sec
 146 Waiting for     0.0003 sec
 147 Waiting for     0.0392 sec
 148 Waiting for     1.2193 sec
 149 #OVERLAP evdw > 1d10   1.00000E+20
 150  #OVERLAPing residues             2
 151    8  24
 152  #OVERLAPing all corrected after             3  random generation
 153 #OVERLAP evdw after   1.84229E+03
 154 Waiting for     0.0391 sec
 155 #OVERLAP evdw > 1d10   1.00000E+20
 156  #OVERLAPing residues             2
 157   14  25
 158  #OVERLAPing all corrected after             1  random generation
 159 #OVERLAP evdw after   3.19681E+02
 160 Waiting for     0.0694 sec
 161 #OVERLAP evdw > 1d10   1.00000E+20
 162  #OVERLAPing residues             2
 163    3  27
 164  #OVERLAPing all corrected after             1  random generation
 165 #OVERLAP evdw after   1.22800E+06
 166 Waiting for     0.0381 sec
 167 Waiting for     0.0386 sec
 168 Waiting for     0.0381 sec
 169 Waiting for     0.0384 sec
 170 Waiting for     0.0003 sec
 171 #OVERLAP evdw > 1d10   1.00000E+20
 172  #OVERLAPing residues             4
 173    5  27  16  25
 174  #OVERLAPing all corrected after             2  random generation
 175 #OVERLAP evdw after   2.56531E+17
 176 Waiting for     0.0378 sec
 177 Waiting for     0.0384 sec
 178 #OVERLAP evdw > 1d10   1.00000E+20
 179  #OVERLAPing residues             6
 180    5  27   8  26  18  29
 181  #OVERLAPing all corrected after             7  random generation
 182 #OVERLAP evdw after   1.55081E+26
 183 Waiting for     0.0669 sec
 184 Waiting for     0.0386 sec
 185 Waiting for     0.0374 sec
 186 Waiting for     0.0392 sec
 187 Waiting for     0.0685 sec
 188 #OVERLAP evdw > 1d10   1.00000E+20
 189  #OVERLAPing residues             2
 190   15  27
 191  #OVERLAPing all corrected after             1  random generation
 192 #OVERLAP evdw after   1.46673E+14
 193 Waiting for     0.0378 sec
 194 Waiting for     0.0686 sec
 195 #OVERLAP evdw > 1d10   1.00000E+20
 196  #OVERLAPing residues             2
 197   17  23
 198  #OVERLAPing all corrected after             1  random generation
 199 #OVERLAP evdw after   3.57038E+01
 200 Waiting for     0.0378 sec
 201 #OVERLAP evdw > 1d10   1.00000E+20
 202  #OVERLAPing residues             2
 203    7  20
 204  #OVERLAPing all corrected after             1  random generation
 205 #OVERLAP evdw after   9.02562E+04
 206 Waiting for     0.0380 sec
 207 Waiting for     0.0440 sec
 208 Waiting for     0.0380 sec
 209 Waiting for     0.0393 sec
 210 Waiting for     0.0388 sec
 211 Waiting for     0.0379 sec
 212 #OVERLAP evdw > 1d10   1.00000E+20
 213  #OVERLAPing residues             2
 214   12  18
 215  #OVERLAPing all corrected after             1  random generation
 216 #OVERLAP evdw after   2.58778E+05
 217 Waiting for     0.0713 sec
 218 Waiting for     0.0758 sec
 219 Waiting for     0.0405 sec
 220 Waiting for     0.0698 sec
 221 Waiting for     0.0382 sec
 222 Waiting for     0.1013 sec
 223 #OVERLAP evdw > 1d10   1.00000E+20
 224  #OVERLAPing residues             2
 225    7  17
 226  #OVERLAPing all corrected after             1  random generation
 227 #OVERLAP evdw after   1.15964E+03
 228 Waiting for     0.0003 sec
 229 Waiting for     0.0466 sec
 230 Waiting for     0.0003 sec
 231 #OVERLAP evdw > 1d10   1.00000E+20
 232  #OVERLAPing residues             2
 233   13  25
 234  #OVERLAPing all corrected after             1  random generation
 235 #OVERLAP evdw after   3.18256E+11
 236 Waiting for     0.0406 sec
 237 Waiting for     0.0391 sec
 238 Waiting for     0.0381 sec
 239 #OVERLAP evdw > 1d10   1.00000E+20
 240  #OVERLAPing residues             4
 241    3  26   4  25
 242  #OVERLAPing all corrected after             1  random generation
 243 #OVERLAP evdw after   2.08297E+13
 244 Waiting for     0.0487 sec
 245 Waiting for     0.0667 sec
 246 Waiting for     0.0389 sec
 247 #OVERLAP evdw > 1d10   5.70861E+28
 248  #OVERLAPing residues             0
 249
 250  #OVERLAPing all corrected after             1  random generation
 251 #OVERLAP evdw after   5.70861E+28
 252 Waiting for     0.0380 sec
 253 Waiting for     0.0452 sec
 254 Waiting for     0.0383 sec
 255 Waiting for     0.0379 sec
 256 Waiting for     0.0387 sec
 257 Waiting for     0.5391 sec
 258 Waiting for     0.0002 sec
 259 #OVERLAP evdw > 1d10   1.00000E+20
 260  #OVERLAPing residues             2
 261    5   8
 262  #OVERLAPing all corrected after             1  random generation
 263 #OVERLAP evdw after   1.85541E+20
 264 Waiting for     0.0385 sec
 265 Waiting for     0.0382 sec
 266 Waiting for     0.0383 sec
 267 Waiting for     0.0390 sec
 268 Waiting for     0.0711 sec
 269 Waiting for     0.0514 sec
 270 Waiting for     0.0558 sec
 271 #OVERLAP evdw > 1d10   1.00000E+20
 272  #OVERLAPing residues             2
 273    9  25
 274  #OVERLAPing all corrected after             1  random generation
 275 #OVERLAP evdw after   1.16211E+06
 276 Waiting for     0.0379 sec
 277 #OVERLAP evdw > 1d10   1.00000E+20
 278  #OVERLAPing residues             2
 279    6  14
 280  #OVERLAPing all corrected after             1  random generation
 281 #OVERLAP evdw after   7.90243E+09
 282 Waiting for     0.0387 sec
 283 Waiting for     0.0384 sec
 284 Waiting for     0.0404 sec
 285 Waiting for     0.0208 sec
 286 Waiting for     0.0390 sec
 287 Waiting for     0.0379 sec
 288 Waiting for     0.0399 sec
 289 Waiting for     0.0381 sec
 290 Waiting for     0.0390 sec
 291 Waiting for     0.0389 sec
 292 Waiting for     0.0384 sec
 293 Waiting for     0.0384 sec
 294 Waiting for     0.0378 sec
 295 Waiting for     0.0388 sec
 296 #OVERLAP evdw > 1d10   1.00000E+20
 297  #OVERLAPing residues             4
 298    3  17   4  19
 299  #OVERLAPing all corrected after             1  random generation
 300 #OVERLAP evdw after   3.62432E+14
 301 Waiting for     0.0386 sec
 302 Waiting for     0.0375 sec
 303 Waiting for     0.0374 sec
 304 Waiting for     0.0392 sec
 305 Waiting for     0.0376 sec
 306 Waiting for     0.0382 sec
 307 Waiting for     0.0393 sec
 308 Waiting for     0.0376 sec
 309 Waiting for     0.0378 sec
 310 Waiting for     0.0380 sec
 311 #OVERLAP evdw > 1d10   1.00000E+20
 312  #OVERLAPing residues             2
 313    8  23
 314  #OVERLAPing all corrected after            12  random generation
 315 #OVERLAP evdw after   1.10216E+15
 316 Waiting for     0.0390 sec
 317 Waiting for     0.0381 sec
 318 Waiting for     0.0376 sec
 319 Waiting for     1.3810 sec
 320 #OVERLAP evdw > 1d10   1.00000E+20
 321  #OVERLAPing residues             4
 322    4  13   7  25
 323  #OVERLAPing all corrected after             8  random generation
 324 #OVERLAP evdw after   8.91615E+28
 325 Waiting for     0.0003 sec
 326 #OVERLAP evdw > 1d10   1.00000E+20
 327  #OVERLAPing residues             2
 328    7  17
 329  #OVERLAPing all corrected after             1  random generation
 330 #OVERLAP evdw after   1.77542E+04
 331 Waiting for     0.0567 sec
 332 #OVERLAP evdw > 1d10   1.00000E+20
 333  #OVERLAPing residues             4
 334    4  29   7  27
 335  #OVERLAPing all corrected after             1  random generation
 336 #OVERLAP evdw after   6.91049E+09
 337 Waiting for     0.0378 sec
 338 Waiting for     0.0670 sec
 339 #OVERLAP evdw > 1d10   1.00000E+20
 340  #OVERLAPing residues             2
 341    7  12
 342  #OVERLAPing all corrected after             1  random generation
 343 #OVERLAP evdw after   1.31901E+07
 344 Waiting for     0.0382 sec
 345 Waiting for     0.0881 sec
 346 Waiting for     0.0002 sec
 347 Waiting for     0.0387 sec
 348 Waiting for     0.0379 sec
 349 Waiting for     0.0383 sec
 350 Waiting for     0.0489 sec
 351 Waiting for     0.0381 sec
 352 Waiting for     0.0393 sec
 353 #OVERLAP evdw > 1d10   1.00000E+20
 354  #OVERLAPing residues             4
 355    5  23  17  20
 356  #OVERLAPing all corrected after             2  random generation
 357 #OVERLAP evdw after   4.52538E+03
 358 Waiting for     0.0383 sec
 359 Waiting for     0.0378 sec
 360 Waiting for     0.0381 sec
 361 Waiting for     0.0391 sec
 362 Waiting for     0.0393 sec
 363 Waiting for     0.0383 sec
 364 Waiting for     0.0377 sec
 365 #OVERLAP evdw > 1d10   1.00000E+20
 366  #OVERLAPing residues             2
 367    7  27
 368  #OVERLAPing all corrected after             1  random generation
 369 #OVERLAP evdw after   3.20582E+18
 370 Waiting for     0.0390 sec
 371 Waiting for     1.1190 sec
 372 Waiting for     0.0002 sec
 373 Waiting for     0.0475 sec
 374 Waiting for     0.0374 sec
 375 #OVERLAP evdw > 1d10   1.00000E+20
 376  #OVERLAPing residues             2
 377   18  25
 378  #OVERLAPing all corrected after             1  random generation
 379 #OVERLAP evdw after   2.38733E+14
 380 Waiting for     0.0003 sec
 381 Waiting for     0.0375 sec
 382 Waiting for     0.0384 sec
 383 Waiting for     0.0384 sec
 384 Waiting for     0.0405 sec
 385 Waiting for     0.0583 sec
 386 Waiting for     0.0392 sec
 387 #OVERLAP evdw > 1d10   1.00000E+20
 388  #OVERLAPing residues             2
 389    4   7
 390  #OVERLAPing all corrected after             1  random generation
 391 #OVERLAP evdw after   1.86759E+05
 392 Waiting for     0.0382 sec
 393 Waiting for     0.0377 sec
 394 Waiting for     0.0383 sec
 395 #OVERLAP evdw > 1d10   1.00000E+20
 396  #OVERLAPing residues             2
 397    5  20
 398  #OVERLAPing all corrected after             1  random generation
 399 #OVERLAP evdw after   5.36261E+07
 400 Waiting for     0.0393 sec
 401 #OVERLAP evdw > 1d10   1.00000E+20
 402  #OVERLAPing residues             2
 403    6  29
 404  #OVERLAPing all corrected after             1  random generation
 405 #OVERLAP evdw after   2.17038E+07
 406 Waiting for     0.0375 sec
 407 Waiting for     0.0382 sec
 408 #OVERLAP evdw > 1d10   1.00000E+20
 409  #OVERLAPing residues             2
 410    6  17
 411  #OVERLAPing all corrected after             1  random generation
 412 #OVERLAP evdw after   5.49051E+11
 413 Waiting for     1.7490 sec
 414 #OVERLAP evdw > 1d10   1.00000E+20
 415  #OVERLAPing residues             2
 416   11  26
 417  #OVERLAPing all corrected after             1  random generation
 418 #OVERLAP evdw after   2.14646E+13
 419 Waiting for     0.0003 sec
 420 Waiting for     0.0728 sec
 421 Waiting for     0.0383 sec
 422 Waiting for     0.0003 sec
 423 #OVERLAP evdw > 1d10   1.00000E+20
 424  #OVERLAPing residues             2
 425   13  20
 426  #OVERLAPing all corrected after             1  random generation
 427 #OVERLAP evdw after   1.00290E+05
 428 Waiting for     0.0576 sec
 429 Waiting for     0.0374 sec
 430 #OVERLAP evdw > 1d10   1.00000E+20
 431  #OVERLAPing residues             2
 432    7  21
 433  #OVERLAPing all corrected after             2  random generation
 434 #OVERLAP evdw after   2.95152E+08
 435 Waiting for     0.0377 sec
 436 #OVERLAP evdw > 1d10   1.00000E+20
 437  #OVERLAPing residues             2
 438    7  27
 439  #OVERLAPing all corrected after             1  random generation
 440 #OVERLAP evdw after   6.70847E+02
 441 Waiting for     0.0386 sec
 442 Waiting for     1.7275 sec
 443 Waiting for     0.0002 sec
 444 Waiting for     0.0377 sec
 445 #OVERLAP evdw > 1d10   1.00000E+20
 446  #OVERLAPing residues             2
 447    5  17
 448  #OVERLAPing all corrected after           603  random generation
 449 #OVERLAP evdw after   8.56629E+25
 450 Waiting for     0.0108 sec
 451 Waiting for     0.0389 sec
 452 #OVERLAP evdw > 1d10   1.00000E+20
 453  #OVERLAPing residues             2
 454    8  23
 455  #OVERLAPing all corrected after            13  random generation
 456 #OVERLAP evdw after   7.85361E+15
 457 Waiting for     0.0391 sec
 458 #OVERLAP evdw > 1d10   1.00000E+20
 459  #OVERLAPing residues             2
 460    3   9
 461  #OVERLAPing all corrected after             1  random generation
 462 #OVERLAP evdw after   4.70664E+08
 463 Waiting for     0.0166 sec
 464 Waiting for     0.0380 sec
 465 #OVERLAP evdw > 1d10   1.00000E+20
 466  #OVERLAPing residues             2
 467   14  20
 468  #OVERLAPing all corrected after             1  random generation
 469 #OVERLAP evdw after   3.99135E+09
 470 Waiting for     0.0579 sec
 471 Waiting for     0.0558 sec
 472 Waiting for     0.9785 sec
 473 Waiting for     0.0151 sec
 474 Waiting for     0.0381 sec
 475 Waiting for     0.1165 sec
 476 Waiting for     0.0003 sec
 477 Waiting for     0.0377 sec
 478 Waiting for     0.0382 sec
 479 #OVERLAP evdw > 1d10   1.00000E+20
 480  #OVERLAPing residues             2
 481    4  23
 482  #OVERLAPing all corrected after             1  random generation
 483 #OVERLAP evdw after  -3.40293E+01
 484 Waiting for     0.0712 sec
 485 #OVERLAP evdw > 1d10   1.00000E+20
 486  #OVERLAPing residues             6
 487    7  20  11  24  13  19
 488  #OVERLAPing all corrected after             2  random generation
 489 #OVERLAP evdw after   2.34173E+20
 490 Waiting for     0.0375 sec
 491 #OVERLAP evdw > 1d10   1.00000E+20
 492  #OVERLAPing residues             2
 493    6  25
 494  #OVERLAPing NOT all corrected             3
 495    6  25   7
 496 #OVERLAP evdw after   1.00000E+20
 497 Waiting for     0.0380 sec
 498 Waiting for     0.0382 sec
 499 #OVERLAP evdw > 1d10   1.00000E+20
 500  #OVERLAPing residues             2
 501    9  26
 502  #OVERLAPing all corrected after             3  random generation
 503 #OVERLAP evdw after   9.60278E+09
 504 Waiting for     0.0378 sec
 505 Waiting for     0.0469 sec
 506 #OVERLAP evdw > 1d10   1.00000E+20
 507  #OVERLAPing residues             2
 508   11  20
 509  #OVERLAPing all corrected after             1  random generation
 510 #OVERLAP evdw after   1.50790E+07
 511 Waiting for     0.0381 sec
 512 Waiting for     0.0493 sec
 513 Waiting for     0.0418 sec
 514 Waiting for     0.0392 sec
 515 Waiting for     0.0489 sec
 516 Waiting for     0.0004 sec
 517 Waiting for     0.0603 sec
 518 Waiting for     0.0376 sec
 519 Waiting for     0.0381 sec
 520 Waiting for     0.0389 sec
 521 #OVERLAP evdw > 1d10   4.11436E+24
 522  #OVERLAPing residues             0
 523
 524  #OVERLAPing all corrected after             1  random generation
 525 #OVERLAP evdw after   4.11436E+24
 526 Waiting for     0.0387 sec
 527 #OVERLAP evdw > 1d10   1.00000E+20
 528  #OVERLAPing residues             2
 529   24  27
 530  #OVERLAPing all corrected after             1  random generation
 531 #OVERLAP evdw after   2.53461E+02
 532 Waiting for     0.0482 sec
 533 Waiting for     0.0379 sec
 534 Waiting for     0.0940 sec
 535 Waiting for     0.0376 sec
 536 #OVERLAP evdw > 1d10   1.00000E+20
 537  #OVERLAPing residues             2
 538    7  25
 539  #OVERLAPing all corrected after             1  random generation
 540 #OVERLAP evdw after   1.27522E+12
 541 Waiting for     0.0387 sec
 542 Waiting for     0.0378 sec
 543 Waiting for     0.0377 sec
 544 #OVERLAP evdw > 1d10   1.00000E+20
 545  #OVERLAPing residues             2
 546    4   9
 547  #OVERLAPing all corrected after             1  random generation
 548 #OVERLAP evdw after  -2.90737E+01
 549 Waiting for     0.2012 sec
 550 Waiting for     0.0002 sec
 551 #OVERLAP evdw > 1d10   1.00000E+20
 552  #OVERLAPing residues             2
 553    4  20
 554  #OVERLAPing all corrected after             1  random generation
 555 #OVERLAP evdw after   8.32080E+10
 556 Waiting for     0.0393 sec
 557 Waiting for     0.0936 sec
 558 Waiting for     0.0525 sec
 559 Waiting for     0.0393 sec
 560 #OVERLAP evdw > 1d10   1.00000E+20
 561  #OVERLAPing residues             2
 562    6  25
 563  #OVERLAPing all corrected after             1  random generation
 564 #OVERLAP evdw after   6.62436E+06
 565 Waiting for     0.0482 sec
 566 #OVERLAP evdw > 1d10   1.00000E+20
 567  #OVERLAPing residues             2
 568   11  25
 569  #OVERLAPing all corrected after             1  random generation
 570 #OVERLAP evdw after   2.34759E+06
 571 Waiting for     0.0390 sec
 572 Waiting for     0.0375 sec
 573 Waiting for     0.0381 sec
 574 Waiting for     0.0379 sec
 575 Waiting for     0.0388 sec
 576 Waiting for     0.0003 sec
 577 Waiting for     0.0377 sec
 578 #OVERLAP evdw > 1d10   1.00000E+20
 579  #OVERLAPing residues             2
 580    3  25
 581  #OVERLAPing all corrected after             1  random generation
 582 #OVERLAP evdw after   2.36770E+09
 583 Waiting for     0.0375 sec
 584 Waiting for     1.3071 sec
 585 #OVERLAP evdw > 1d10   1.00000E+20
 586  #OVERLAPing residues             4
 587    7  23   9  20
 588  #OVERLAPing all corrected after            11  random generation
 589 #OVERLAP evdw after   3.43620E+14
 590 Waiting for     0.0003 sec
 591 Waiting for     0.0709 sec
 592 Waiting for     0.0389 sec
 593 Waiting for     0.0393 sec
 594 #OVERLAP evdw > 1d10   1.00000E+20
 595  #OVERLAPing residues             2
 596    7  16
 597  #OVERLAPing all corrected after             1  random generation
 598 #OVERLAP evdw after   5.17080E+09
 599 Waiting for     0.0387 sec
 600 Waiting for     0.0388 sec
 601 #OVERLAP evdw > 1d10   1.00000E+20
 602  #OVERLAPing residues             8
 603    2  22   4  24   5  25   6  26
 604  #OVERLAPing all corrected after           303  random generation
 605 #OVERLAP evdw after   9.72497E+23
 606 Waiting for     0.0386 sec
 607 Waiting for     0.0388 sec
 608 Waiting for     0.0374 sec
 609 Waiting for     0.0896 sec
 610 Waiting for     0.0002 sec
 611 #OVERLAP evdw > 1d10   1.00000E+20
 612  #OVERLAPing residues             2
 613    7  29
 614  #OVERLAPing all corrected after             1  random generation
 615 #OVERLAP evdw after   1.51854E+12
 616 Waiting for     0.0389 sec
 617 Waiting for     0.0382 sec
 618 Waiting for     0.0381 sec
 619 Waiting for     1.2913 sec
 620 #OVERLAP evdw > 1d10   1.00000E+20
 621  #OVERLAPing residues             2
 622    4  11
 623  #OVERLAPing all corrected after             1  random generation
 624 #OVERLAP evdw after   8.61098E+04
 625 Waiting for     0.0002 sec
 626 Waiting for     0.0378 sec
 627 #OVERLAP evdw > 1d10   1.00000E+20
 628  #OVERLAPing residues             2
 629    4  24
 630  #OVERLAPing all corrected after             1  random generation
 631 #OVERLAP evdw after   5.25701E+04
 632 Waiting for     0.0387 sec
 633 #OVERLAP evdw > 1d10   1.00000E+20
 634  #OVERLAPing residues             2
 635   13  28
 636  #OVERLAPing all corrected after             1  random generation
 637 #OVERLAP evdw after   1.60349E+09
 638 Waiting for     1.3075 sec
 639 Waiting for     0.0003 sec
 640 Waiting for     0.0392 sec
 641 Waiting for     0.0003 sec
 642 #OVERLAP evdw > 1d10   1.00000E+20
 643  #OVERLAPing residues             2
 644    9  25
 645  #OVERLAPing all corrected after             1  random generation
 646 #OVERLAP evdw after   4.61140E+09
 647 Waiting for     0.0567 sec
 648 Waiting for     0.0381 sec
 649 #OVERLAP evdw > 1d10   1.00000E+20
 650  #OVERLAPing residues             2
 651   16  25
 652  #OVERLAPing all corrected after             1  random generation
 653 #OVERLAP evdw after   4.44114E+02
 654 Waiting for     0.0563 sec
 655 Waiting for     0.0388 sec
 656 Waiting for     0.0383 sec
 657 Waiting for     0.0388 sec
 658 Waiting for     0.0389 sec
 659 Waiting for     0.0391 sec
 660 Waiting for     0.0375 sec
 661 Waiting for     0.0374 sec
 662 Waiting for     0.0788 sec
 663 Waiting for     1.5060 sec
 664 #OVERLAP evdw > 1d10   1.00000E+20
 665  #OVERLAPing residues             2
 666   11  27
 667  #OVERLAPing all corrected after             1  random generation
 668 #OVERLAP evdw after   1.43709E+12
 669 Waiting for     0.0425 sec
 670 Waiting for     0.0375 sec
 671 Waiting for     0.0392 sec
 672 #OVERLAP evdw > 1d10   1.00000E+20
 673  #OVERLAPing residues             2
 674   15  20
 675  #OVERLAPing all corrected after             1  random generation
 676 #OVERLAP evdw after   8.81650E+11
 677 Waiting for     1.4898 sec
 678 Waiting for     0.0002 sec
 679 #OVERLAP evdw > 1d10   3.60236E+28
 680  #OVERLAPing residues             0
 681
 682  #OVERLAPing all corrected after             1  random generation
 683 #OVERLAP evdw after   3.60236E+28
 684 Waiting for     0.0379 sec
 685 Waiting for     0.0379 sec
 686 Waiting for     0.0487 sec
 687 Waiting for     0.0391 sec
 688 Waiting for     0.0384 sec
 689 Waiting for     0.0780 sec
 690 #OVERLAP evdw > 1d10   1.00000E+20
 691  #OVERLAPing residues             2
 692   17  19
 693  #OVERLAPing all corrected after             1  random generation
 694 #OVERLAP evdw after   1.92133E+07
 695 Waiting for     0.0002 sec
 696 Waiting for     0.0073 sec
 697 Waiting for     0.0595 sec
 698 Waiting for     0.0375 sec
 699 Waiting for     0.0379 sec
 700 Waiting for     0.0381 sec
 701 Waiting for     0.0590 sec
 702 #OVERLAP evdw > 1d10   1.00000E+20
 703  #OVERLAPing residues             4
 704    4  24   7  25
 705  #OVERLAPing all corrected after             1  random generation
 706 #OVERLAP evdw after   2.74286E+14
 707 Waiting for     0.0490 sec
 708 Waiting for     0.0654 sec
 709 #OVERLAP evdw > 1d10   1.00000E+20
 710  #OVERLAPing residues             2
 711   14  19
 712  #OVERLAPing all corrected after             1  random generation
 713 #OVERLAP evdw after   2.22455E+06
 714 Waiting for     0.0375 sec
 715 Waiting for     0.0388 sec
 716 #OVERLAP evdw > 1d10   1.00000E+20
 717  #OVERLAPing residues             4
 718   12  26  13  25
 719  #OVERLAPing all corrected after             2  random generation
 720 #OVERLAP evdw after   1.86221E+11
 721 Waiting for     0.0526 sec
 722 Waiting for     0.0374 sec
 723 Waiting for     0.0375 sec
 724 Waiting for     0.0702 sec
 725 Waiting for     0.0640 sec
 726 #OVERLAP evdw > 1d10   1.00000E+20
 727  #OVERLAPing residues             2
 728    7  29
 729  #OVERLAPing all corrected after             1  random generation
 730 #OVERLAP evdw after   1.20799E+04
 731 Waiting for     0.0390 sec
 732 Waiting for     0.0385 sec
 733 Waiting for     0.0376 sec
 734 Waiting for     0.0392 sec
 735 Waiting for     0.0382 sec
 736 Waiting for     0.0384 sec
 737 Waiting for     0.0387 sec
 738 Waiting for     0.0748 sec
 739 Waiting for     0.0610 sec
 740 #OVERLAP evdw > 1d10   1.00000E+20
 741  #OVERLAPing residues             2
 742    4  23
 743  #OVERLAPing all corrected after             8  random generation
 744 #OVERLAP evdw after   1.35587E+07
 745 Waiting for     0.0377 sec
 746 #OVERLAP evdw > 1d10   1.00000E+20
 747  #OVERLAPing residues             2
 748    7  21
 749  #OVERLAPing all corrected after             1  random generation
 750 #OVERLAP evdw after   8.87954E+09
 751 Waiting for     0.0003 sec
 752 #OVERLAP evdw > 1d10   1.00000E+20
 753  #OVERLAPing residues             2
 754   17  23
 755  #OVERLAPing all corrected after             1  random generation
 756 #OVERLAP evdw after   2.62668E+16
 757 Waiting for     0.0378 sec
 758 Waiting for     0.0375 sec
 759 Waiting for     0.0383 sec
 760 #OVERLAP evdw > 1d10   1.00000E+20
 761  #OVERLAPing residues             2
 762    2  17
 763  #OVERLAPing all corrected after             3  random generation
 764 #OVERLAP evdw after   3.63264E+13
 765 Waiting for     0.0380 sec
 766 Waiting for     0.0378 sec
 767 #OVERLAP evdw > 1d10   1.00000E+20
 768  #OVERLAPing residues             2
 769    3  29
 770  #OVERLAPing all corrected after             1  random generation
 771 #OVERLAP evdw after   5.24358E+01
 772 Waiting for     0.0393 sec
 773 Waiting for     0.0383 sec
 774 Waiting for     0.0384 sec
 775 Waiting for     0.0380 sec
 776 Waiting for     0.0653 sec
 777 Waiting for     0.0379 sec
 778 #OVERLAP evdw > 1d10   1.00000E+20
 779  #OVERLAPing residues             2
 780    4  23
 781  #OVERLAPing all corrected after            12  random generation
 782 #OVERLAP evdw after   2.73846E+12
 783 Waiting for     0.0375 sec
 784 #OVERLAP evdw > 1d10   1.00000E+20
 785  #OVERLAPing residues             2
 786   20  25
 787  #OVERLAPing all corrected after             2  random generation
 788 #OVERLAP evdw after   4.42080E+04
 789 Waiting for     0.0385 sec
 790 Waiting for     0.0374 sec
 791 Waiting for     0.0378 sec
 792 Waiting for     0.0392 sec
 793 Waiting for     0.0379 sec
 794 Waiting for     0.0744 sec
 795 Waiting for     0.0449 sec
 796 Waiting for     0.0386 sec
 797 Waiting for     0.1062 sec
 798 #OVERLAP evdw > 1d10   5.76433E+26
 799  #OVERLAPing residues             0
 800
 801  #OVERLAPing all corrected after             1  random generation
 802 #OVERLAP evdw after   5.76433E+26
 803 Waiting for     0.0003 sec
 804 Waiting for     0.0388 sec
 805 Waiting for     0.0376 sec
 806 Waiting for     0.0566 sec
 807 Waiting for     0.0546 sec
 808 Waiting for     0.0393 sec
 809 #OVERLAP evdw > 1d10   1.00000E+20
 810  #OVERLAPing residues             2
 811    7  27
 812  #OVERLAPing all corrected after             1  random generation
 813 #OVERLAP evdw after   2.25949E+06
 814 Waiting for     1.2702 sec
 815 #OVERLAP evdw > 1d10   1.00000E+20
 816  #OVERLAPing residues             2
 817    8  23
 818  #OVERLAPing all corrected after             1  random generation
 819 #OVERLAP evdw after   8.32119E+07
 820 Waiting for     0.0002 sec
 821 Waiting for     0.0388 sec
 822 Waiting for     0.0644 sec
 823 Waiting for     0.0384 sec
 824 #OVERLAP evdw > 1d10   1.00000E+20
 825  #OVERLAPing residues             2
 826    4  29
 827  #OVERLAPing all corrected after             2  random generation
 828 #OVERLAP evdw after  -5.30911E+01
 829 Waiting for     0.0455 sec
 830 Waiting for     0.0392 sec
 831 Waiting for     0.0384 sec
 832 #OVERLAP evdw > 1d10   1.00000E+20
 833  #OVERLAPing residues             2
 834    3  12
 835  #OVERLAPing all corrected after             5  random generation
 836 #OVERLAP evdw after   2.94233E+22
 837 Waiting for     0.0373 sec
 838 Waiting for     0.0719 sec
 839 Waiting for     0.0384 sec
 840 Waiting for     0.0381 sec
 841 #OVERLAP evdw > 1d10   1.00000E+20
 842  #OVERLAPing residues             2
 843   13  28
 844  #OVERLAPing all corrected after             1  random generation
 845 #OVERLAP evdw after   6.37836E+11
 846 Waiting for     0.0623 sec
 847 Waiting for     1.0230 sec
 848 Waiting for     0.0270 sec
 849 Waiting for     0.0376 sec
 850 #OVERLAP evdw > 1d10   1.00000E+20
 851  #OVERLAPing residues             2
 852    2  22
 853  #OVERLAPing all corrected after             1  random generation
 854 #OVERLAP evdw after   7.07111E+13
 855 Waiting for     0.0379 sec
 856 #OVERLAP evdw > 1d10   1.00000E+20
 857  #OVERLAPing residues             4
 858    7  14   9  25
 859  #OVERLAPing all corrected after             3  random generation
 860 #OVERLAP evdw after   3.23912E+06
 861 Waiting for     0.0380 sec
 862 Waiting for     0.0380 sec
 863 Waiting for     0.0436 sec
 864 Waiting for     0.0383 sec
 865 #OVERLAP evdw > 1d10   1.00000E+20
 866  #OVERLAPing residues             4
 867    2  27  16  17
 868  #OVERLAPing all corrected after             1  random generation
 869 #OVERLAP evdw after   4.24304E+02
 870 Waiting for     0.0673 sec
 871 Waiting for     0.0583 sec
 872 Waiting for     1.4070 sec
 873 Waiting for     0.0002 sec
 874 Waiting for     0.0410 sec
 875 #OVERLAP evdw > 1d10   1.00000E+20
 876  #OVERLAPing residues             4
 877    4  18  11  25
 878  #OVERLAPing all corrected after             2  random generation
 879 #OVERLAP evdw after   3.09689E+19
 880 Waiting for     0.0380 sec
 881 Waiting for     0.0380 sec
 882 Waiting for     0.0378 sec
 883 #OVERLAP evdw > 1d10   1.00000E+20
 884  #OVERLAPing residues             2
 885    3  27
 886  #OVERLAPing all corrected after             1  random generation
 887 #OVERLAP evdw after   1.84375E+08
 888 Waiting for     0.0378 sec
 889 Waiting for     0.0391 sec
 890 #OVERLAP evdw > 1d10   1.00000E+20
 891  #OVERLAPing residues             2
 892    9  25
 893  #OVERLAPing all corrected after             1  random generation
 894 #OVERLAP evdw after   4.32247E+12
 895 Waiting for     0.0754 sec
 896 Waiting for     0.0375 sec
 897 Waiting for     0.0389 sec
 898 Waiting for     0.0386 sec
 899 Waiting for     0.0375 sec
 900 #OVERLAP evdw > 1d10   1.00000E+20
 901  #OVERLAPing residues             4
 902    6  25   7  27
 903  #OVERLAPing NOT all corrected             2
 904    6  25
 905 #OVERLAP evdw after   1.00000E+20
 906 Waiting for     0.0378 sec
 907 #OVERLAP evdw > 1d10   1.00000E+20
 908  #OVERLAPing residues             2
 909   18  25
 910  #OVERLAPing all corrected after             1  random generation
 911 #OVERLAP evdw after   1.31145E+17
 912 Waiting for     2.7385 sec
 913 Waiting for     0.0391 sec
 914 Waiting for     0.0386 sec
 915 Waiting for     0.0390 sec
 916 #OVERLAP evdw > 1d10   1.00000E+20
 917  #OVERLAPing residues             4
 918    4  26  15  27
 919  #OVERLAPing all corrected after            38  random generation
 920 #OVERLAP evdw after   5.82186E+16
 921 Waiting for     0.0603 sec
 922 Waiting for     0.0384 sec
 923 Waiting for     0.0472 sec
 924 #OVERLAP evdw > 1d10   1.00000E+20
 925  #OVERLAPing residues             2
 926   14  17
 927  #OVERLAPing all corrected after             1  random generation
 928 #OVERLAP evdw after   8.02265E+02
 929 Waiting for     0.0384 sec
 930 Waiting for     0.0392 sec
 931 Waiting for     0.0390 sec
 932 Waiting for     0.0003 sec
 933 Waiting for     0.0926 sec
 934 Waiting for     0.5142 sec
 935 Waiting for     0.0659 sec
 936 Waiting for     0.0727 sec
 937 Waiting for     0.0483 sec
 938 Waiting for     0.0387 sec
 939 #OVERLAP evdw > 1d10   1.00000E+20
 940  #OVERLAPing residues             2
 941   12  29
 942  #OVERLAPing all corrected after             1  random generation
 943 #OVERLAP evdw after   1.22379E+13
 944 Waiting for     0.0387 sec
 945 Waiting for     0.0375 sec
 946 #OVERLAP evdw > 1d10   1.00000E+20
 947  #OVERLAPing residues             4
 948    9  25  11  27
 949  #OVERLAPing all corrected after             2  random generation
 950 #OVERLAP evdw after   5.33984E+21
 951 Waiting for     0.0388 sec
 952 Waiting for     0.0721 sec
 953 Waiting for     0.0382 sec
 954 #OVERLAP evdw > 1d10   1.00000E+20
 955  #OVERLAPing residues             7
 956    4  17  23   9  20  12  29
 957  #OVERLAPing all corrected after             8  random generation
 958 #OVERLAP evdw after   9.71423E+17
 959 Waiting for     0.0401 sec
 960 #OVERLAP evdw > 1d10   1.36024E+28
 961  #OVERLAPing residues             0
 962
 963  #OVERLAPing all corrected after             1  random generation
 964 #OVERLAP evdw after   1.36024E+28
 965 Waiting for     0.0386 sec
 966 Waiting for     0.0375 sec
 967 Waiting for     0.0385 sec
 968  End of minim, proc           26 time     3399.315381000000
 969 Processor  26 is finishing work.
 970  Total time    3435.714238000000       sec