examples/unres/CSA/CASP5/CSA/run1/output/1fsd_CASP5.out_GB028

   1 --------------------------------------------------------------------------------
   2                               FILE ASSIGNMENT
   3 --------------------------------------------------------------------------------
   4  Input file                      : 1fsd_CASP5.inp
   5  Output file                     : 1fsd_CASP5.out_GB028
   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=            28  iseed(4)=             0            0          -19
  47        -55900
  48  ran_num   0.5650625824928284
  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     1.3268 sec
 146 Waiting for     0.0007 sec
 147 Waiting for     0.0386 sec
 148 Waiting for     1.2171 sec
 149 Waiting for     0.0641 sec
 150 Waiting for     0.0386 sec
 151 #OVERLAP evdw > 1d10   1.00000E+20
 152  #OVERLAPing residues             2
 153    3  26
 154  #OVERLAPing all corrected after             2  random generation
 155 #OVERLAP evdw after   1.98387E+25
 156 Waiting for     0.0380 sec
 157 #OVERLAP evdw > 1d10   1.00000E+20
 158  #OVERLAPing residues             3
 159    8  27   9
 160  #OVERLAPing all corrected after             2  random generation
 161 #OVERLAP evdw after   9.56229E+05
 162 Waiting for     0.0645 sec
 163 Waiting for     0.0704 sec
 164 Waiting for     0.0735 sec
 165 Waiting for     0.0358 sec
 166 Waiting for     0.0389 sec
 167 #OVERLAP evdw > 1d10   1.00000E+20
 168  #OVERLAPing residues             2
 169    9  14
 170  #OVERLAPing all corrected after             1  random generation
 171 #OVERLAP evdw after   7.07283E+08
 172 Waiting for     0.0398 sec
 173 Waiting for     0.0590 sec
 174 Waiting for     0.0385 sec
 175 Waiting for     0.0396 sec
 176 #OVERLAP evdw > 1d10   1.00000E+20
 177  #OVERLAPing residues             2
 178    5  27
 179  #OVERLAPing all corrected after             1  random generation
 180 #OVERLAP evdw after   1.21054E+04
 181 Waiting for     0.0393 sec
 182 Waiting for     0.0389 sec
 183 Waiting for     0.0566 sec
 184 #OVERLAP evdw > 1d10   1.00000E+20
 185  #OVERLAPing residues             4
 186    2  13   4  11
 187  #OVERLAPing all corrected after             3  random generation
 188 #OVERLAP evdw after   1.58069E+17
 189 Waiting for     0.0384 sec
 190 Waiting for     0.0389 sec
 191 #OVERLAP evdw > 1d10   1.00000E+20
 192  #OVERLAPing residues             2
 193   14  17
 194  #OVERLAPing all corrected after             1  random generation
 195 #OVERLAP evdw after  -2.24777E+01
 196 Waiting for     0.0387 sec
 197 #OVERLAP evdw > 1d10   1.00000E+20
 198  #OVERLAPing residues             4
 199    5  23  20  25
 200  #OVERLAPing NOT all corrected             2
 201    5  23
 202 #OVERLAP evdw after   1.00000E+20
 203 Waiting for     0.0398 sec
 204 Waiting for     0.0381 sec
 205 Waiting for     0.0396 sec
 206 Waiting for     0.0883 sec
 207 Waiting for     0.0397 sec
 208 Waiting for     0.0007 sec
 209 Waiting for     0.0394 sec
 210 Waiting for     0.0786 sec
 211 Waiting for     0.0005 sec
 212 Waiting for     0.7319 sec
 213 Waiting for     0.0004 sec
 214 Waiting for     0.0394 sec
 215 Waiting for     0.0385 sec
 216 Waiting for     0.0067 sec
 217 Waiting for     0.0389 sec
 218 Waiting for     0.0397 sec
 219 Waiting for     0.0381 sec
 220 Waiting for     0.0395 sec
 221 Waiting for     0.0481 sec
 222 #OVERLAP evdw > 1d10   1.00000E+20
 223  #OVERLAPing residues             2
 224    7  27
 225  #OVERLAPing all corrected after            41  random generation
 226 #OVERLAP evdw after   5.53454E+10
 227 Waiting for     0.0393 sec
 228 Waiting for     0.0759 sec
 229 Waiting for     0.0386 sec
 230 Waiting for     0.0379 sec
 231 #OVERLAP evdw > 1d10   1.00000E+20
 232  #OVERLAPing residues             4
 233    7  26   9  22
 234  #OVERLAPing all corrected after             1  random generation
 235 #OVERLAP evdw after   1.71635E+20
 236 Waiting for     0.0108 sec
 237 Waiting for     0.0391 sec
 238 #OVERLAP evdw > 1d10   1.00000E+20
 239  #OVERLAPing residues             2
 240   19  25
 241  #OVERLAPing all corrected after             1  random generation
 242 #OVERLAP evdw after   4.70920E+14
 243 Waiting for     0.0387 sec
 244 Waiting for     0.0382 sec
 245 Waiting for     1.3580 sec
 246 Waiting for     0.0043 sec
 247 Waiting for     0.0385 sec
 248 Waiting for     0.0479 sec
 249 Waiting for     0.0006 sec
 250 Waiting for     0.0394 sec
 251 Waiting for     0.0396 sec
 252 Waiting for     0.0397 sec
 253 Waiting for     0.0383 sec
 254 Waiting for     0.0636 sec
 255 Waiting for     0.0499 sec
 256 Waiting for     0.0007 sec
 257 #OVERLAP evdw > 1d10   1.00000E+20
 258  #OVERLAPing residues             4
 259    3  20   7  25
 260  #OVERLAPing all corrected after             2  random generation
 261 #OVERLAP evdw after   1.71986E+11
 262 Waiting for     0.0383 sec
 263 Waiting for     0.0383 sec
 264 #OVERLAP evdw > 1d10   1.00000E+20
 265  #OVERLAPing residues             2
 266   15  17
 267  #OVERLAPing all corrected after             1  random generation
 268 #OVERLAP evdw after   1.48839E+15
 269 Waiting for     0.0383 sec
 270 Waiting for     0.0764 sec
 271 Waiting for     0.0394 sec
 272 Waiting for     0.0385 sec
 273 Waiting for     0.0385 sec
 274 Waiting for     0.0398 sec
 275 Waiting for     1.4710 sec
 276 #OVERLAP evdw > 1d10   1.00000E+20
 277  #OVERLAPing residues             2
 278    7  27
 279  #OVERLAPing all corrected after             1  random generation
 280 #OVERLAP evdw after   8.96317E+10
 281 Waiting for     0.0007 sec
 282 #OVERLAP evdw > 1d10   1.00000E+20
 283  #OVERLAPing residues             2
 284    5  20
 285  #OVERLAPing all corrected after             1  random generation
 286 #OVERLAP evdw after   4.65468E+29
 287 Waiting for     0.0378 sec
 288 Waiting for     0.0383 sec
 289 Waiting for     0.0381 sec
 290 Waiting for     0.0386 sec
 291 Waiting for     0.0536 sec
 292 Waiting for     0.0399 sec
 293 Waiting for     0.0388 sec
 294 Waiting for     0.0387 sec
 295 Waiting for     0.0389 sec
 296 #OVERLAP evdw > 1d10   1.00000E+20
 297  #OVERLAPing residues             2
 298   14  25
 299  #OVERLAPing all corrected after             1  random generation
 300 #OVERLAP evdw after   4.30013E+01
 301 Waiting for     0.0384 sec
 302 Waiting for     0.0476 sec
 303 Waiting for     0.0395 sec
 304 #OVERLAP evdw > 1d10   1.00000E+20
 305  #OVERLAPing residues             2
 306    7  21
 307  #OVERLAPing all corrected after             1  random generation
 308 #OVERLAP evdw after   1.82774E+03
 309 Waiting for     0.0399 sec
 310 Waiting for     0.0578 sec
 311 Waiting for     0.0127 sec
 312 Waiting for     1.4105 sec
 313 #OVERLAP evdw > 1d10   1.00000E+20
 314  #OVERLAPing residues             2
 315    7  14
 316  #OVERLAPing all corrected after             2  random generation
 317 #OVERLAP evdw after   1.99624E+20
 318 Waiting for     0.0007 sec
 319 Waiting for     0.0395 sec
 320 Waiting for     0.0395 sec
 321 #OVERLAP evdw > 1d10   1.00000E+20
 322  #OVERLAPing residues             2
 323   16  27
 324  #OVERLAPing all corrected after             1  random generation
 325 #OVERLAP evdw after   2.64755E+08
 326 Waiting for     0.0677 sec
 327 Waiting for     1.4891 sec
 328 Waiting for     0.0007 sec
 329 #OVERLAP evdw > 1d10   1.00000E+20
 330  #OVERLAPing residues             4
 331    6  16   8  17
 332  #OVERLAPing all corrected after             3  random generation
 333 #OVERLAP evdw after   5.90257E+17
 334 Waiting for     0.0400 sec
 335 Waiting for     0.0392 sec
 336 #OVERLAP evdw > 1d10   1.00000E+20
 337  #OVERLAPing residues             2
 338    8  27
 339  #OVERLAPing all corrected after             1  random generation
 340 #OVERLAP evdw after   5.11514E+06
 341 Waiting for     0.0378 sec
 342 Waiting for     0.0403 sec
 343 Waiting for     0.0380 sec
 344 Waiting for     0.0384 sec
 345 Waiting for     0.0380 sec
 346 Waiting for     0.0386 sec
 347 Waiting for     0.0389 sec
 348 Waiting for     0.0008 sec
 349 Waiting for     0.0380 sec
 350 Waiting for     0.0431 sec
 351 Waiting for     0.0400 sec
 352 Waiting for     0.0393 sec
 353 #OVERLAP evdw > 1d10   1.00000E+20
 354  #OVERLAPing residues             2
 355    4  20
 356  #OVERLAPing all corrected after             1  random generation
 357 #OVERLAP evdw after   1.02407E+08
 358 Waiting for     1.0368 sec
 359 Waiting for     0.0154 sec
 360 #OVERLAP evdw > 1d10   1.00000E+20
 361  #OVERLAPing residues             2
 362    4  27
 363  #OVERLAPing all corrected after             1  random generation
 364 #OVERLAP evdw after   5.32888E+07
 365 Waiting for     0.0396 sec
 366 Waiting for     0.0276 sec
 367 Waiting for     0.0386 sec
 368 Waiting for     0.0392 sec
 369 Waiting for     0.9276 sec
 370 Waiting for     0.0004 sec
 371 Waiting for     0.0731 sec
 372 Waiting for     0.0383 sec
 373 Waiting for     0.0381 sec
 374 Waiting for     0.0382 sec
 375 Waiting for     0.0388 sec
 376 Waiting for     0.0381 sec
 377 Waiting for     0.0451 sec
 378 Waiting for     0.0398 sec
 379 #OVERLAP evdw > 1d10   1.00000E+20
 380  #OVERLAPing residues             4
 381   11  25  12  27
 382  #OVERLAPing all corrected after             2  random generation
 383 #OVERLAP evdw after   5.54555E+02
 384 Waiting for     0.0571 sec
 385 Waiting for     0.2902 sec
 386 Waiting for     0.0066 sec
 387 Waiting for     0.0386 sec
 388 #OVERLAP evdw > 1d10   1.00000E+20
 389  #OVERLAPing residues             2
 390    9  29
 391  #OVERLAPing all corrected after             1  random generation
 392 #OVERLAP evdw after   6.07607E+10
 393 Waiting for     0.0006 sec
 394 Waiting for     0.0386 sec
 395 Waiting for     0.0380 sec
 396 Waiting for     0.0392 sec
 397 Waiting for     0.0379 sec
 398 #OVERLAP evdw > 1d10   1.00000E+20
 399  #OVERLAPing residues             2
 400    7  27
 401  #OVERLAPing all corrected after             1  random generation
 402 #OVERLAP evdw after   1.01209E+13
 403 Waiting for     0.0392 sec
 404 Waiting for     0.0397 sec
 405 Waiting for     0.0396 sec
 406 Waiting for     0.0006 sec
 407 Waiting for     0.0395 sec
 408 Waiting for     0.0393 sec
 409 #OVERLAP evdw > 1d10   1.00000E+20
 410  #OVERLAPing residues             2
 411    8  11
 412  #OVERLAPing all corrected after             1  random generation
 413 #OVERLAP evdw after   2.59632E+09
 414 Waiting for     0.0399 sec
 415 Waiting for     0.0383 sec
 416 Waiting for     0.0384 sec
 417 Waiting for     0.0391 sec
 418 #OVERLAP evdw > 1d10   2.06552E+25
 419  #OVERLAPing residues             0
 420
 421  #OVERLAPing all corrected after             1  random generation
 422 #OVERLAP evdw after   2.06552E+25
 423 Waiting for     0.0399 sec
 424 Waiting for     0.0381 sec
 425 Waiting for     0.0431 sec
 426 Waiting for     0.0381 sec
 427 Waiting for     0.0381 sec
 428 Waiting for     0.0385 sec
 429 #OVERLAP evdw > 1d10   1.00000E+20
 430  #OVERLAPing residues             2
 431    4  27
 432  #OVERLAPing all corrected after             4  random generation
 433 #OVERLAP evdw after   1.22446E+20
 434 Waiting for     0.0394 sec
 435 Waiting for     0.0380 sec
 436 Waiting for     0.0389 sec
 437 #OVERLAP evdw > 1d10   1.00000E+20
 438  #OVERLAPing residues             2
 439    3  20
 440  #OVERLAPing all corrected after             1  random generation
 441 #OVERLAP evdw after  -4.73802E+01
 442 Waiting for     1.6725 sec
 443 Waiting for     0.0384 sec
 444 #OVERLAP evdw > 1d10   1.00000E+20
 445  #OVERLAPing residues             2
 446    8  23
 447  #OVERLAPing all corrected after            30  random generation
 448 #OVERLAP evdw after   1.79915E+18
 449 Waiting for     0.0386 sec
 450 #OVERLAP evdw > 1d10   1.00000E+20
 451  #OVERLAPing residues             4
 452    7  21  15  27
 453  #OVERLAPing all corrected after             1  random generation
 454 #OVERLAP evdw after   1.17450E+15
 455 Waiting for     0.0388 sec
 456 Waiting for     1.8809 sec
 457 Waiting for     0.0007 sec
 458 Waiting for     0.0391 sec
 459 Waiting for     0.0394 sec
 460 Waiting for     0.0395 sec
 461 Waiting for     0.0006 sec
 462 Waiting for     0.0398 sec
 463 Waiting for     0.0636 sec
 464 Waiting for     0.0006 sec
 465 Waiting for     0.0393 sec
 466 Waiting for     0.0387 sec
 467 Waiting for     0.0379 sec
 468 Waiting for     0.0385 sec
 469 Waiting for     0.0398 sec
 470 Waiting for     0.0383 sec
 471 Waiting for     0.0403 sec
 472 Waiting for     0.0385 sec
 473 Waiting for     0.0387 sec
 474 Waiting for     0.0383 sec
 475 #OVERLAP evdw > 1d10   1.00000E+20
 476  #OVERLAPing residues             5
 477    7  21   8  22   9
 478  #OVERLAPing all corrected after             8  random generation
 479 #OVERLAP evdw after   1.81186E+10
 480 Waiting for     0.0386 sec
 481 Waiting for     0.0389 sec
 482 Waiting for     0.0393 sec
 483 Waiting for     0.0007 sec
 484 #OVERLAP evdw > 1d10   1.00000E+20
 485  #OVERLAPing residues             2
 486    4   7
 487  #OVERLAPing all corrected after             1  random generation
 488 #OVERLAP evdw after  -5.31660E+01
 489 Waiting for     0.0384 sec
 490 Waiting for     0.0395 sec
 491 Waiting for     0.0384 sec
 492 #OVERLAP evdw > 1d10   1.00000E+20
 493  #OVERLAPing residues             2
 494    3  17
 495  #OVERLAPing all corrected after             1  random generation
 496 #OVERLAP evdw after   1.88782E+08
 497 Waiting for     0.0386 sec
 498 Waiting for     0.0379 sec
 499 #OVERLAP evdw > 1d10   1.00000E+20
 500  #OVERLAPing residues             2
 501   17  27
 502  #OVERLAPing all corrected after             4  random generation
 503 #OVERLAP evdw after   2.85049E+15
 504 Waiting for     0.8765 sec
 505 Waiting for     0.0005 sec
 506 Waiting for     0.0006 sec
 507 Waiting for     0.0382 sec
 508 Waiting for     0.0383 sec
 509 #OVERLAP evdw > 1d10   1.00000E+20
 510  #OVERLAPing residues             2
 511   11  27
 512  #OVERLAPing all corrected after             1  random generation
 513 #OVERLAP evdw after   1.50753E+12
 514 Waiting for     0.0380 sec
 515 Waiting for     0.0480 sec
 516 #OVERLAP evdw > 1d10   1.00000E+20
 517  #OVERLAPing residues             2
 518   17  23
 519  #OVERLAPing all corrected after             3  random generation
 520 #OVERLAP evdw after   3.44711E+12
 521 Waiting for     0.0388 sec
 522 #OVERLAP evdw > 1d10   1.00000E+20
 523  #OVERLAPing residues             4
 524    3  11   4  20
 525  #OVERLAPing all corrected after             1  random generation
 526 #OVERLAP evdw after   2.08871E+11
 527 Waiting for     0.0395 sec
 528 Waiting for     0.0388 sec
 529 Waiting for     0.0379 sec
 530 Waiting for     0.0393 sec
 531 Waiting for     0.0393 sec
 532 Waiting for     0.0391 sec
 533 #OVERLAP evdw > 1d10   1.00000E+20
 534  #OVERLAPing residues             2
 535    4  13
 536  #OVERLAPing all corrected after             1  random generation
 537 #OVERLAP evdw after   7.08376E+20
 538 Waiting for     0.0380 sec
 539 #OVERLAP evdw > 1d10   1.00000E+20
 540  #OVERLAPing residues             2
 541    5  23
 542  #OVERLAPing all corrected after            38  random generation
 543 #OVERLAP evdw after   2.32427E+22
 544 Waiting for     0.0394 sec
 545 Waiting for     0.0395 sec
 546 #OVERLAP evdw > 1d10   8.52984E+20
 547  #OVERLAPing residues             0
 548
 549  #OVERLAPing all corrected after             1  random generation
 550 #OVERLAP evdw after   8.52984E+20
 551 Waiting for     0.0392 sec
 552 Waiting for     0.0398 sec
 553 Waiting for     0.0007 sec
 554 Waiting for     1.0344 sec
 555 #OVERLAP evdw > 1d10   1.00000E+20
 556  #OVERLAPing residues             2
 557   14  20
 558  #OVERLAPing all corrected after             1  random generation
 559 #OVERLAP evdw after   6.21160E+10
 560 Waiting for     0.0006 sec
 561 Waiting for     0.0392 sec
 562 #OVERLAP evdw > 1d10   1.00000E+20
 563  #OVERLAPing residues             2
 564   14  23
 565  #OVERLAPing all corrected after             2  random generation
 566 #OVERLAP evdw after   5.72122E+05
 567 Waiting for     0.0395 sec
 568 Waiting for     0.0382 sec
 569 Waiting for     0.1111 sec
 570 Waiting for     0.0006 sec
 571 Waiting for     0.0007 sec
 572 #OVERLAP evdw > 1d10   1.00000E+20
 573  #OVERLAPing residues             2
 574    5  29
 575  #OVERLAPing all corrected after             1  random generation
 576 #OVERLAP evdw after   2.11334E+09
 577 Waiting for     0.0399 sec
 578 Waiting for     0.0589 sec
 579 Waiting for     0.0379 sec
 580 Waiting for     0.0394 sec
 581 Waiting for     0.0388 sec
 582 #OVERLAP evdw > 1d10   3.70132E+65
 583  #OVERLAPing residues             0
 584
 585  #OVERLAPing all corrected after             1  random generation
 586 #OVERLAP evdw after   3.70132E+65
 587 Waiting for     0.0382 sec
 588 Waiting for     0.0449 sec
 589 #OVERLAP evdw > 1d10   1.00000E+20
 590  #OVERLAPing residues             2
 591    4  26
 592  #OVERLAPing all corrected after             1  random generation
 593 #OVERLAP evdw after   7.50922E+04
 594 Waiting for     0.0396 sec
 595 Waiting for     0.0398 sec
 596 #OVERLAP evdw > 1d10   1.00000E+20
 597  #OVERLAPing residues             2
 598    8  13
 599  #OVERLAPing all corrected after             2  random generation
 600 #OVERLAP evdw after   1.89849E+10
 601 Waiting for     0.0380 sec
 602 #OVERLAP evdw > 1d10   1.00000E+20
 603  #OVERLAPing residues             2
 604    7  13
 605  #OVERLAPing all corrected after             1  random generation
 606 #OVERLAP evdw after   8.27540E+09
 607 Waiting for     0.0433 sec
 608 Waiting for     0.0379 sec
 609 #OVERLAP evdw > 1d10   1.00000E+20
 610  #OVERLAPing residues             2
 611    7  20
 612  #OVERLAPing all corrected after             2  random generation
 613 #OVERLAP evdw after  -2.89534E-01
 614 Waiting for     0.0380 sec
 615 Waiting for     0.0395 sec
 616 Waiting for     1.4774 sec
 617 Waiting for     0.0381 sec
 618 #OVERLAP evdw > 1d10   1.00000E+20
 619  #OVERLAPing residues             2
 620    8  27
 621  #OVERLAPing all corrected after             2  random generation
 622 #OVERLAP evdw after   7.40886E+03
 623 Waiting for     0.0008 sec
 624 Waiting for     0.0381 sec
 625 Waiting for     0.0382 sec
 626 Waiting for     0.0381 sec
 627 Waiting for     0.0395 sec
 628 Waiting for     0.0382 sec
 629 Waiting for     0.0393 sec
 630 Waiting for     0.0384 sec
 631 Waiting for     0.0006 sec
 632 #OVERLAP evdw > 1d10   1.00000E+20
 633  #OVERLAPing residues             4
 634    9  24  13  20
 635  #OVERLAPing all corrected after             3  random generation
 636 #OVERLAP evdw after   4.96101E+05
 637 Waiting for     0.0383 sec
 638 Waiting for     0.0531 sec
 639 #OVERLAP evdw > 1d10   6.15760E+26
 640  #OVERLAPing residues             0
 641
 642  #OVERLAPing all corrected after             1  random generation
 643 #OVERLAP evdw after   6.15760E+26
 644 Waiting for     0.0438 sec
 645 #OVERLAP evdw > 1d10   1.00000E+20
 646  #OVERLAPing residues             4
 647    4  16   9  27
 648  #OVERLAPing all corrected after             2  random generation
 649 #OVERLAP evdw after   1.07070E+13
 650 Waiting for     0.0396 sec
 651 Waiting for     0.0396 sec
 652 #OVERLAP evdw > 1d10   1.00000E+20
 653  #OVERLAPing residues             2
 654    7  25
 655  #OVERLAPing all corrected after             2  random generation
 656 #OVERLAP evdw after   2.08781E+06
 657 Waiting for     0.0395 sec
 658 Waiting for     0.0393 sec
 659 Waiting for     0.0394 sec
 660 Waiting for     0.0007 sec
 661 Waiting for     0.0394 sec
 662 Waiting for     0.0383 sec
 663 Waiting for     0.0392 sec
 664 Waiting for     0.0496 sec
 665 Waiting for     0.0393 sec
 666 Waiting for     0.0393 sec
 667 Waiting for     0.0386 sec
 668 Waiting for     0.0008 sec
 669 Waiting for     0.0384 sec
 670 Waiting for     0.0396 sec
 671 #OVERLAP evdw > 1d10   1.00000E+20
 672  #OVERLAPing residues             2
 673    5  27
 674  #OVERLAPing all corrected after             2  random generation
 675 #OVERLAP evdw after   6.03426E+07
 676 Waiting for     0.0392 sec
 677 #OVERLAP evdw > 1d10   1.00000E+20
 678  #OVERLAPing residues             2
 679   11  23
 680  #OVERLAPing all corrected after             5  random generation
 681 #OVERLAP evdw after   7.09428E+07
 682 Waiting for     0.0397 sec
 683 #OVERLAP evdw > 1d10   1.00000E+20
 684  #OVERLAPing residues             2
 685    3  27
 686  #OVERLAPing all corrected after             1  random generation
 687 #OVERLAP evdw after   1.89714E+02
 688 Waiting for     0.0384 sec
 689 Waiting for     0.0382 sec
 690 #OVERLAP evdw > 1d10   1.00000E+20
 691  #OVERLAPing residues             4
 692   10  22  11  25
 693  #OVERLAPing all corrected after             1  random generation
 694 #OVERLAP evdw after   8.90176E+13
 695 Waiting for     0.0377 sec
 696 Waiting for     0.0007 sec
 697 #OVERLAP evdw > 1d10   1.00000E+20
 698  #OVERLAPing residues             2
 699    2  25
 700  #OVERLAPing all corrected after             1  random generation
 701 #OVERLAP evdw after  -2.33537E+01
 702 Waiting for     0.0388 sec
 703 Waiting for     0.0382 sec
 704 #OVERLAP evdw > 1d10   1.00000E+20
 705  #OVERLAPing residues             7
 706    4  13   7  15  18  12  20
 707  #OVERLAPing all corrected after             5  random generation
 708 #OVERLAP evdw after   1.03059E+11
 709 Waiting for     0.0380 sec
 710 Waiting for     0.0383 sec
 711 Waiting for     0.0397 sec
 712 #OVERLAP evdw > 1d10   1.00000E+20
 713  #OVERLAPing residues             2
 714    3  20
 715  #OVERLAPing all corrected after             1  random generation
 716 #OVERLAP evdw after   2.42781E+16
 717 Waiting for     0.0386 sec
 718 #OVERLAP evdw > 1d10   1.00000E+20
 719  #OVERLAPing residues             2
 720   11  26
 721  #OVERLAPing all corrected after             1  random generation
 722 #OVERLAP evdw after   4.67766E+19
 723 Waiting for     0.0395 sec
 724 Waiting for     0.0399 sec
 725 Waiting for     0.0383 sec
 726 Waiting for     0.0380 sec
 727 Waiting for     0.3915 sec
 728 Waiting for     0.0005 sec
 729 Waiting for     0.0384 sec
 730 #OVERLAP evdw > 1d10   1.00000E+20
 731  #OVERLAPing residues             2
 732    9  22
 733  #OVERLAPing all corrected after             1  random generation
 734 #OVERLAP evdw after  -3.19336E+01
 735 Waiting for     0.0384 sec
 736 #OVERLAP evdw > 1d10   1.00000E+20
 737  #OVERLAPing residues             2
 738    8  26
 739  #OVERLAPing all corrected after             5  random generation
 740 #OVERLAP evdw after   1.29466E+22
 741 Waiting for     0.0388 sec
 742 Waiting for     0.0399 sec
 743 Waiting for     0.0007 sec
 744 Waiting for     0.0381 sec
 745 Waiting for     0.0391 sec
 746 Waiting for     0.0735 sec
 747 Waiting for     0.0750 sec
 748 #OVERLAP evdw > 1d10   1.00000E+20
 749  #OVERLAPing residues             2
 750    7  13
 751  #OVERLAPing all corrected after             2  random generation
 752 #OVERLAP evdw after   2.09764E+05
 753 Waiting for     0.0381 sec
 754 Waiting for     0.0394 sec
 755 Waiting for     0.0389 sec
 756 #OVERLAP evdw > 1d10   1.00000E+20
 757  #OVERLAPing residues             2
 758   14  27
 759  #OVERLAPing all corrected after             1  random generation
 760 #OVERLAP evdw after   4.99129E+15
 761 Waiting for     0.0007 sec
 762 Waiting for     0.0800 sec
 763 Waiting for     0.0250 sec
 764 #OVERLAP evdw > 1d10   1.00000E+20
 765  #OVERLAPing residues             2
 766    7   9
 767  #OVERLAPing all corrected after             1  random generation
 768 #OVERLAP evdw after  -3.17837E+01
 769 Waiting for     0.0395 sec
 770 #OVERLAP evdw > 1d10   1.00000E+20
 771  #OVERLAPing residues             2
 772    9  25
 773  #OVERLAPing all corrected after             3  random generation
 774 #OVERLAP evdw after   4.68885E+29
 775 Waiting for     0.0383 sec
 776 Waiting for     0.0384 sec
 777 #OVERLAP evdw > 1d10   1.00000E+20
 778  #OVERLAPing residues             4
 779    6  27   7  28
 780  #OVERLAPing NOT all corrected             4
 781    6  27   7  28
 782 #OVERLAP evdw after   1.00000E+20
 783 Waiting for     0.0393 sec
 784 Waiting for     0.0383 sec
 785 #OVERLAP evdw > 1d10   1.00000E+20
 786  #OVERLAPing residues             2
 787    4  17
 788  #OVERLAPing all corrected after             2  random generation
 789 #OVERLAP evdw after   4.45073E+06
 790 Waiting for     0.0379 sec
 791 #OVERLAP evdw > 1d10   1.00000E+20
 792  #OVERLAPing residues             2
 793   11  17
 794  #OVERLAPing all corrected after             1  random generation
 795 #OVERLAP evdw after   7.05962E+02
 796 Waiting for     0.0403 sec
 797 Waiting for     1.6389 sec
 798 Waiting for     0.0004 sec
 799 Waiting for     0.0395 sec
 800 #OVERLAP evdw > 1d10   1.00000E+20
 801  #OVERLAPing residues             2
 802    7  27
 803  #OVERLAPing all corrected after             1  random generation
 804 #OVERLAP evdw after   9.09514E+17
 805 Waiting for     0.0396 sec
 806 Waiting for     0.0391 sec
 807 Waiting for     0.0390 sec
 808 Waiting for     0.0381 sec
 809 Waiting for     0.0384 sec
 810 Waiting for     0.0385 sec
 811 Waiting for     0.0395 sec
 812 Waiting for     0.0395 sec
 813 Waiting for     0.0380 sec
 814 Waiting for     0.0386 sec
 815 Waiting for     0.0387 sec
 816 Waiting for     0.0663 sec
 817 #OVERLAP evdw > 1d10   1.00000E+20
 818  #OVERLAPing residues             2
 819    7  22
 820  #OVERLAPing all corrected after             1  random generation
 821 #OVERLAP evdw after   1.49185E+11
 822 Waiting for     0.0007 sec
 823 Waiting for     0.0385 sec
 824 #OVERLAP evdw > 1d10   2.76276E+24
 825  #OVERLAPing residues             0
 826
 827  #OVERLAPing all corrected after             1  random generation
 828 #OVERLAP evdw after   2.76276E+24
 829 Waiting for     0.0386 sec
 830 #OVERLAP evdw > 1d10   1.00000E+20
 831  #OVERLAPing residues             2
 832   14  25
 833  #OVERLAPing all corrected after             1  random generation
 834 #OVERLAP evdw after  -4.43996E+01
 835 Waiting for     0.0388 sec
 836 Waiting for     0.0389 sec
 837 Waiting for     0.0390 sec
 838 #OVERLAP evdw > 1d10   1.00000E+20
 839  #OVERLAPing residues             4
 840    6  29  25  27
 841  #OVERLAPing all corrected after             2  random generation
 842 #OVERLAP evdw after   1.85389E+04
 843 Waiting for     0.0621 sec
 844 Waiting for     0.0397 sec
 845 #OVERLAP evdw > 1d10   1.00000E+20
 846  #OVERLAPing residues             2
 847    4  22
 848  #OVERLAPing all corrected after             1  random generation
 849 #OVERLAP evdw after   7.99148E+15
 850 Waiting for     0.0393 sec
 851 #OVERLAP evdw > 1d10   1.00000E+20
 852  #OVERLAPing residues             4
 853    6  27   7  28
 854  #OVERLAPing NOT all corrected             4
 855    6  27   7  28
 856 #OVERLAP evdw after   1.00000E+20
 857 Waiting for     0.0396 sec
 858 Waiting for     0.0446 sec
 859 Waiting for     0.0384 sec
 860 #OVERLAP evdw > 1d10   1.00000E+20
 861  #OVERLAPing residues             5
 862    8  27   9  12  25
 863  #OVERLAPing all corrected after            97  random generation
 864 #OVERLAP evdw after   9.39666E+11
 865 Waiting for     0.0381 sec
 866 Waiting for     0.0392 sec
 867 #OVERLAP evdw > 1d10   1.00000E+20
 868  #OVERLAPing residues             2
 869    3  21
 870  #OVERLAPing all corrected after             1  random generation
 871 #OVERLAP evdw after   3.42487E+08
 872 Waiting for     0.0383 sec
 873 Waiting for     0.0389 sec
 874 Waiting for     0.0385 sec
 875 #OVERLAP evdw > 1d10   1.00000E+20
 876  #OVERLAPing residues             2
 877    7  17
 878  #OVERLAPing all corrected after             1  random generation
 879 #OVERLAP evdw after   1.51894E+03
 880 Waiting for     0.0181 sec
 881 #OVERLAP evdw > 1d10   1.00000E+20
 882  #OVERLAPing residues             2
 883    9  22
 884  #OVERLAPing all corrected after             1  random generation
 885 #OVERLAP evdw after   1.67265E+06
 886 Waiting for     0.0380 sec
 887 Waiting for     0.0397 sec
 888 #OVERLAP evdw > 1d10   1.00000E+20
 889  #OVERLAPing residues             2
 890   14  29
 891  #OVERLAPing all corrected after             1  random generation
 892 #OVERLAP evdw after   1.02647E+17
 893 Waiting for     0.0386 sec
 894 Waiting for     1.4990 sec
 895 Waiting for     0.0007 sec
 896 #OVERLAP evdw > 1d10   1.00000E+20
 897  #OVERLAPing residues             2
 898    7  26
 899  #OVERLAPing all corrected after             2  random generation
 900 #OVERLAP evdw after   3.68993E+10
 901 Waiting for     0.0379 sec
 902 Waiting for     0.0395 sec
 903 #OVERLAP evdw > 1d10   1.00000E+20
 904  #OVERLAPing residues             5
 905    8  19   9  22  24
 906  #OVERLAPing all corrected after            26  random generation
 907 #OVERLAP evdw after   1.12854E+17
 908 Waiting for     0.8421 sec
 909 #OVERLAP evdw > 1d10   1.00000E+20
 910  #OVERLAPing residues             2
 911    9  24
 912  #OVERLAPing all corrected after             1  random generation
 913 #OVERLAP evdw after   2.77406E+01
 914 Waiting for     0.0005 sec
 915 Waiting for     0.0388 sec
 916 Waiting for     0.0381 sec
 917 #OVERLAP evdw > 1d10   1.00000E+20
 918  #OVERLAPing residues             2
 919    4  17
 920  #OVERLAPing all corrected after             1  random generation
 921 #OVERLAP evdw after   2.19224E+12
 922 Waiting for     0.0388 sec
 923 Waiting for     0.0383 sec
 924 Waiting for     0.0397 sec
 925 #OVERLAP evdw > 1d10   1.00000E+20
 926  #OVERLAPing residues             2
 927   17  22
 928  #OVERLAPing all corrected after             1  random generation
 929 #OVERLAP evdw after   5.99653E+03
 930 Waiting for     0.0378 sec
 931 Waiting for     0.0713 sec
 932 Waiting for     2.2914 sec
 933 #OVERLAP evdw > 1d10   1.00000E+20
 934  #OVERLAPing residues             2
 935    7  27
 936  #OVERLAPing all corrected after             1  random generation
 937 #OVERLAP evdw after   1.13254E+02
 938 Waiting for     0.0007 sec
 939 Waiting for     0.0385 sec
 940 Waiting for     0.0395 sec
 941 Waiting for     2.3566 sec
 942 Waiting for     0.0121 sec
 943 #OVERLAP evdw > 1d10   1.00000E+20
 944  #OVERLAPing residues             2
 945   11  25
 946  #OVERLAPing all corrected after             3  random generation
 947 #OVERLAP evdw after   1.71582E+16
 948 Waiting for     0.0378 sec
 949 Waiting for     0.0396 sec
 950 #OVERLAP evdw > 1d10   1.00000E+20
 951  #OVERLAPing residues             4
 952    3  25   5  20
 953  #OVERLAPing all corrected after             3  random generation
 954 #OVERLAP evdw after   3.39916E+06
 955 Waiting for     0.0390 sec
 956 Waiting for     0.0388 sec
 957 Waiting for     0.0396 sec
 958 Waiting for     0.0387 sec
 959 Waiting for     0.0386 sec
 960 Waiting for     0.0389 sec
 961 #OVERLAP evdw > 1d10   1.00000E+20
 962  #OVERLAPing residues             8
 963    2  17   3  18   4  19   7  23
 964  #OVERLAPing all corrected after             3  random generation
 965 #OVERLAP evdw after   1.46039E+17
 966 Waiting for     0.0393 sec
 967 Waiting for     0.0398 sec
 968 Waiting for     0.0130 sec
 969 #OVERLAP evdw > 1d10   1.00000E+20
 970  #OVERLAPing residues             2
 971   23  27
 972  #OVERLAPing all corrected after             1  random generation
 973 #OVERLAP evdw after   1.90681E+12
 974 Waiting for     0.0385 sec
 975 #OVERLAP evdw > 1d10   1.00000E+20
 976  #OVERLAPing residues             2
 977   22  27
 978  #OVERLAPing all corrected after             1  random generation
 979 #OVERLAP evdw after   5.34653E+15
 980 Waiting for     0.0397 sec
 981 #OVERLAP evdw > 1d10   1.00000E+20
 982  #OVERLAPing residues             2
 983    8  23
 984  #OVERLAPing all corrected after             1  random generation
 985 #OVERLAP evdw after   1.44440E+08
 986 Waiting for     0.0388 sec
 987 Waiting for     0.0388 sec
 988 Waiting for     0.0394 sec
 989 #OVERLAP evdw > 1d10   1.00000E+20
 990  #OVERLAPing residues             2
 991    8  29
 992  #OVERLAPing all corrected after             1  random generation
 993 #OVERLAP evdw after   3.09953E+09
 994 Waiting for     0.0396 sec
 995 Waiting for     0.0396 sec
 996 #OVERLAP evdw > 1d10   5.80778E+29
 997  #OVERLAPing residues             0
 998
 999  #OVERLAPing all corrected after             1  random generation
1000 #OVERLAP evdw after   5.80778E+29
1001 Waiting for     0.0007 sec
1002 Waiting for     0.0385 sec
1003  End of minim, proc           28 time     3408.261064000000
1004 Processor  28 is finishing work.
1005  Total time    3435.708838000000       sec