examples/unres/CSA/CASP5/CSA/run1/output/1fsd_CASP5.out_GB027

   1 --------------------------------------------------------------------------------
   2                               FILE ASSIGNMENT
   3 --------------------------------------------------------------------------------
   4  Input file                      : 1fsd_CASP5.inp
   5  Output file                     : 1fsd_CASP5.out_GB027
   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=            27  iseed(4)=             0            0          -19
  47        -11035
  48  ran_num   0.6490265727043152
  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     1.3296 sec
 146 Waiting for     0.0007 sec
 147 Waiting for     0.0383 sec
 148 Waiting for     1.2165 sec
 149 Waiting for     0.0388 sec
 150 #OVERLAP evdw > 1d10   1.00000E+20
 151  #OVERLAPing residues             2
 152    9  17
 153  #OVERLAPing all corrected after             1  random generation
 154 #OVERLAP evdw after   2.06518E+06
 155 Waiting for     0.0529 sec
 156 Waiting for     0.0626 sec
 157 Waiting for     0.0384 sec
 158 Waiting for     0.0397 sec
 159 Waiting for     0.0389 sec
 160 Waiting for     0.0006 sec
 161 Waiting for     0.0389 sec
 162 Waiting for     0.0379 sec
 163 Waiting for     1.1154 sec
 164 Waiting for     0.0008 sec
 165 #OVERLAP evdw > 1d10   1.00000E+20
 166  #OVERLAPing residues             2
 167   12  20
 168  #OVERLAPing all corrected after             1  random generation
 169 #OVERLAP evdw after   9.13577E+00
 170 Waiting for     0.0509 sec
 171 Waiting for     0.0393 sec
 172 Waiting for     0.0388 sec
 173 Waiting for     0.0816 sec
 174 Waiting for     0.0521 sec
 175 Waiting for     0.0004 sec
 176 Waiting for     0.0383 sec
 177 Waiting for     0.0387 sec
 178 #OVERLAP evdw > 1d10   1.00000E+20
 179  #OVERLAPing residues             4
 180    3  22   5  13
 181  #OVERLAPing all corrected after             1  random generation
 182 #OVERLAP evdw after   6.77444E+03
 183 Waiting for     0.0394 sec
 184 Waiting for     0.0392 sec
 185 Waiting for     0.0397 sec
 186 #OVERLAP evdw > 1d10   1.00000E+20
 187  #OVERLAPing residues             2
 188    4  17
 189  #OVERLAPing all corrected after             1  random generation
 190 #OVERLAP evdw after   6.70648E+10
 191 Waiting for     0.0388 sec
 192 Waiting for     0.0007 sec
 193 Waiting for     0.0383 sec
 194 #OVERLAP evdw > 1d10   1.00000E+20
 195  #OVERLAPing residues             2
 196   15  19
 197  #OVERLAPing all corrected after             1  random generation
 198 #OVERLAP evdw after   3.44716E+06
 199 Waiting for     0.0382 sec
 200 Waiting for     0.0381 sec
 201 Waiting for     0.0398 sec
 202 #OVERLAP evdw > 1d10   1.00000E+20
 203  #OVERLAPing residues             2
 204    3  11
 205  #OVERLAPing all corrected after             1  random generation
 206 #OVERLAP evdw after   6.71674E+16
 207 Waiting for     0.0389 sec
 208 #OVERLAP evdw > 1d10   3.06344E+21
 209  #OVERLAPing residues             0
 210
 211  #OVERLAPing all corrected after             1  random generation
 212 #OVERLAP evdw after   3.06344E+21
 213 Waiting for     0.0385 sec
 214 Waiting for     0.0385 sec
 215 Waiting for     0.0007 sec
 216 #OVERLAP evdw > 1d10   1.00000E+20
 217  #OVERLAPing residues             2
 218   20  23
 219  #OVERLAPing all corrected after             1  random generation
 220 #OVERLAP evdw after   2.65866E+06
 221 Waiting for     0.0379 sec
 222 Waiting for     0.0825 sec
 223 Waiting for     0.0749 sec
 224 Waiting for     0.0397 sec
 225 #OVERLAP evdw > 1d10   1.00000E+20
 226  #OVERLAPing residues             2
 227    8  23
 228  #OVERLAPing all corrected after             1  random generation
 229 #OVERLAP evdw after   6.12755E+06
 230 Waiting for     0.0392 sec
 231 Waiting for     0.0389 sec
 232 Waiting for     0.7567 sec
 233 Waiting for     0.0007 sec
 234 #OVERLAP evdw > 1d10   1.00000E+20
 235  #OVERLAPing residues             2
 236    7  27
 237  #OVERLAPing all corrected after             1  random generation
 238 #OVERLAP evdw after   5.50812E+15
 239 Waiting for     0.0004 sec
 240 Waiting for     0.0378 sec
 241 #OVERLAP evdw > 1d10   1.54651E+32
 242  #OVERLAPing residues             0
 243
 244  #OVERLAPing all corrected after             1  random generation
 245 #OVERLAP evdw after   1.54651E+32
 246 Waiting for     0.0380 sec
 247 Waiting for     0.0388 sec
 248 Waiting for     0.0695 sec
 249 Waiting for     0.0400 sec
 250 Waiting for     0.0385 sec
 251 Waiting for     0.0398 sec
 252 Waiting for     0.0303 sec
 253 Waiting for     0.0391 sec
 254 Waiting for     1.3406 sec
 255 Waiting for     0.0004 sec
 256 #OVERLAP evdw > 1d10   1.00000E+20
 257  #OVERLAPing residues             2
 258    5  19
 259  #OVERLAPing all corrected after             1  random generation
 260 #OVERLAP evdw after   1.33632E+16
 261 Waiting for     0.0390 sec
 262 Waiting for     0.0388 sec
 263 Waiting for     0.0388 sec
 264 Waiting for     1.6892 sec
 265 #OVERLAP evdw > 1d10   5.97421E+25
 266  #OVERLAPing residues             0
 267
 268  #OVERLAPing all corrected after             1  random generation
 269 #OVERLAP evdw after   5.97421E+25
 270 Waiting for     0.0443 sec
 271 Waiting for     0.0395 sec
 272 #OVERLAP evdw > 1d10   1.00000E+20
 273  #OVERLAPing residues             3
 274    9  22  25
 275  #OVERLAPing all corrected after             2  random generation
 276 #OVERLAP evdw after   3.09241E+11
 277 Waiting for     0.0384 sec
 278 Waiting for     0.0870 sec
 279 Waiting for     0.8750 sec
 280 Waiting for     0.0317 sec
 281 Waiting for     0.0383 sec
 282 Waiting for     0.0392 sec
 283 Waiting for     0.0383 sec
 284 Waiting for     0.0006 sec
 285 Waiting for     0.0610 sec
 286 Waiting for     0.0389 sec
 287 Waiting for     0.0385 sec
 288 Waiting for     0.0382 sec
 289 Waiting for     0.0384 sec
 290 Waiting for     0.0390 sec
 291 Waiting for     0.0383 sec
 292 Waiting for     0.0398 sec
 293 Waiting for     0.0378 sec
 294 Waiting for     0.0393 sec
 295 Waiting for     0.0419 sec
 296 Waiting for     0.1861 sec
 297 Waiting for     0.0595 sec
 298 Waiting for     0.0270 sec
 299 #OVERLAP evdw > 1d10   1.00000E+20
 300  #OVERLAPing residues             2
 301    7  22
 302  #OVERLAPing all corrected after             1  random generation
 303 #OVERLAP evdw after   1.41629E+08
 304 Waiting for     0.0378 sec
 305 Waiting for     0.0007 sec
 306 Waiting for     0.0391 sec
 307 Waiting for     0.0723 sec
 308 Waiting for     0.0532 sec
 309 #OVERLAP evdw > 1d10   1.00000E+20
 310  #OVERLAPing residues             2
 311    5  14
 312  #OVERLAPing all corrected after             1  random generation
 313 #OVERLAP evdw after   1.07335E+11
 314 Waiting for     0.0548 sec
 315 #OVERLAP evdw > 1d10   1.00000E+20
 316  #OVERLAPing residues             6
 317    4  17   5  13   7  25
 318  #OVERLAPing all corrected after             1  random generation
 319 #OVERLAP evdw after   2.67500E+08
 320 Waiting for     0.0383 sec
 321 Waiting for     0.0494 sec
 322 #OVERLAP evdw > 1d10   1.00000E+20
 323  #OVERLAPing residues             2
 324   17  26
 325  #OVERLAPing all corrected after             2  random generation
 326 #OVERLAP evdw after   5.61113E+04
 327 Waiting for     0.0383 sec
 328 Waiting for     0.0668 sec
 329 Waiting for     0.0389 sec
 330 Waiting for     0.0391 sec
 331 Waiting for     0.0379 sec
 332 Waiting for     0.0396 sec
 333 Waiting for     0.0396 sec
 334 Waiting for     0.0396 sec
 335 Waiting for     0.1425 sec
 336 Waiting for     0.0386 sec
 337 Waiting for     0.0384 sec
 338 Waiting for     0.0394 sec
 339 Waiting for     0.0656 sec
 340 Waiting for     0.0396 sec
 341 Waiting for     0.0379 sec
 342 Waiting for     0.0476 sec
 343 Waiting for     0.0407 sec
 344 Waiting for     0.0508 sec
 345 Waiting for     0.3936 sec
 346 Waiting for     0.0007 sec
 347 Waiting for     0.0461 sec
 348 Waiting for     0.0446 sec
 349 Waiting for     0.0715 sec
 350 Waiting for     0.0393 sec
 351 #OVERLAP evdw > 1d10   1.00000E+20
 352  #OVERLAPing residues             2
 353    7  27
 354  #OVERLAPing all corrected after             2  random generation
 355 #OVERLAP evdw after   9.44628E+05
 356 Waiting for     0.0385 sec
 357 Waiting for     0.0387 sec
 358 Waiting for     0.0542 sec
 359 #OVERLAP evdw > 1d10   1.00000E+20
 360  #OVERLAPing residues             2
 361   12  25
 362  #OVERLAPing all corrected after             1  random generation
 363 #OVERLAP evdw after   2.99784E+10
 364 Waiting for     0.0387 sec
 365 Waiting for     0.0394 sec
 366 Waiting for     0.0390 sec
 367 Waiting for     0.0392 sec
 368 Waiting for     0.0394 sec
 369 Waiting for     0.7365 sec
 370 Waiting for     0.0008 sec
 371 Waiting for     0.0393 sec
 372 Waiting for     0.0005 sec
 373 Waiting for     0.0377 sec
 374 Waiting for     0.0391 sec
 375 Waiting for     0.0388 sec
 376 Waiting for     0.0389 sec
 377 Waiting for     0.0388 sec
 378 #OVERLAP evdw > 1d10   1.00000E+20
 379  #OVERLAPing residues             2
 380   11  24
 381  #OVERLAPing all corrected after             1  random generation
 382 #OVERLAP evdw after   1.73549E+04
 383 Waiting for     0.6901 sec
 384 Waiting for     0.0006 sec
 385 Waiting for     0.0007 sec
 386 Waiting for     0.0393 sec
 387 #OVERLAP evdw > 1d10   1.00000E+20
 388  #OVERLAPing residues             2
 389   14  20
 390  #OVERLAPing all corrected after             1  random generation
 391 #OVERLAP evdw after   1.92098E+11
 392 Waiting for     0.0393 sec
 393 Waiting for     0.0397 sec
 394 Waiting for     0.0397 sec
 395 #OVERLAP evdw > 1d10   1.00000E+20
 396  #OVERLAPing residues             4
 397    2  27   4  10
 398  #OVERLAPing all corrected after             1  random generation
 399 #OVERLAP evdw after   4.52532E+02
 400 Waiting for     0.0382 sec
 401 Waiting for     0.0386 sec
 402 Waiting for     0.0389 sec
 403 #OVERLAP evdw > 1d10   1.00000E+20
 404  #OVERLAPing residues             5
 405    7  19   8  17  10
 406  #OVERLAPing all corrected after             1  random generation
 407 #OVERLAP evdw after   8.72438E+07
 408 Waiting for     0.0394 sec
 409 Waiting for     0.0395 sec
 410 Waiting for     0.0386 sec
 411 Waiting for     0.0383 sec
 412 Waiting for     0.0605 sec
 413 Waiting for     0.0388 sec
 414 Waiting for     0.0381 sec
 415 Waiting for     0.0396 sec
 416 #OVERLAP evdw > 1d10   1.00000E+20
 417  #OVERLAPing residues             2
 418    7  15
 419  #OVERLAPing all corrected after             1  random generation
 420 #OVERLAP evdw after   1.62247E+07
 421 Waiting for     0.0395 sec
 422 Waiting for     0.0006 sec
 423 Waiting for     0.0386 sec
 424 Waiting for     0.0379 sec
 425 Waiting for     0.0765 sec
 426 Waiting for     0.0384 sec
 427 Waiting for     0.0395 sec
 428 Waiting for     0.0395 sec
 429 Waiting for     0.0400 sec
 430 Waiting for     0.7575 sec
 431 Waiting for     0.0384 sec
 432 Waiting for     0.0395 sec
 433 Waiting for     0.0628 sec
 434 Waiting for     0.0391 sec
 435 Waiting for     0.0384 sec
 436 #OVERLAP evdw > 1d10   1.00000E+20
 437  #OVERLAPing residues             2
 438    8  29
 439  #OVERLAPing all corrected after             1  random generation
 440 #OVERLAP evdw after   5.99349E+09
 441 Waiting for     0.0383 sec
 442 Waiting for     0.0593 sec
 443 Waiting for     0.0382 sec
 444 Waiting for     0.1846 sec
 445 Waiting for     0.0005 sec
 446 #OVERLAP evdw > 1d10   1.00000E+20
 447  #OVERLAPing residues             2
 448    3  17
 449  #OVERLAPing all corrected after             2  random generation
 450 #OVERLAP evdw after   2.64085E+06
 451 Waiting for     0.0378 sec
 452 #OVERLAP evdw > 1d10   1.00000E+20
 453  #OVERLAPing residues             2
 454    4  27
 455  #OVERLAPing all corrected after             1  random generation
 456 #OVERLAP evdw after   3.53142E+06
 457 Waiting for     0.0380 sec
 458 Waiting for     0.0385 sec
 459 Waiting for     0.0489 sec
 460 Waiting for     0.0438 sec
 461 Waiting for     0.0394 sec
 462 #OVERLAP evdw > 1d10   1.00000E+20
 463  #OVERLAPing residues             4
 464    5  27   7  29
 465  #OVERLAPing all corrected after             2  random generation
 466 #OVERLAP evdw after   2.27381E+08
 467 Waiting for     0.0007 sec
 468 Waiting for     0.8861 sec
 469 Waiting for     0.0366 sec
 470 Waiting for     0.0394 sec
 471 Waiting for     0.0384 sec
 472 #OVERLAP evdw > 1d10   1.00000E+20
 473  #OVERLAPing residues             2
 474   11  23
 475  #OVERLAPing all corrected after             2  random generation
 476 #OVERLAP evdw after   6.59959E+08
 477 Waiting for     0.0388 sec
 478 Waiting for     0.0384 sec
 479 Waiting for     0.0620 sec
 480 Waiting for     0.0368 sec
 481 Waiting for     0.0399 sec
 482 Waiting for     0.0380 sec
 483 Waiting for     0.0379 sec
 484 Waiting for     0.0379 sec
 485 Waiting for     0.0390 sec
 486 Waiting for     0.0395 sec
 487 Waiting for     0.0395 sec
 488 Waiting for     0.0394 sec
 489 Waiting for     0.0007 sec
 490 Waiting for     0.1144 sec
 491 #OVERLAP evdw > 1d10   1.00000E+20
 492  #OVERLAPing residues             2
 493   23  26
 494  #OVERLAPing all corrected after             1  random generation
 495 #OVERLAP evdw after   1.67580E+06
 496 Waiting for     0.0007 sec
 497 Waiting for     0.0394 sec
 498 Waiting for     0.0389 sec
 499 Waiting for     0.0383 sec
 500 Waiting for     0.0748 sec
 501 #OVERLAP evdw > 1d10   1.00000E+20
 502  #OVERLAPing residues             2
 503    9  25
 504  #OVERLAPing all corrected after             2  random generation
 505 #OVERLAP evdw after   8.95896E+24
 506 Waiting for     0.0383 sec
 507 Waiting for     0.0006 sec
 508 Waiting for     0.0394 sec
 509 Waiting for     0.0750 sec
 510 #OVERLAP evdw > 1d10   1.19821E+22
 511  #OVERLAPing residues             0
 512
 513  #OVERLAPing all corrected after             1  random generation
 514 #OVERLAP evdw after   1.19821E+22
 515 Waiting for     0.0386 sec
 516 Waiting for     0.0398 sec
 517 Waiting for     0.0380 sec
 518 Waiting for     0.0385 sec
 519 Waiting for     0.0382 sec
 520 Waiting for     0.0007 sec
 521 Waiting for     0.0382 sec
 522 Waiting for     0.0382 sec
 523 Waiting for     0.0385 sec
 524 Waiting for     0.0384 sec
 525 Waiting for     0.0389 sec
 526 Waiting for     0.0618 sec
 527 Waiting for     0.0382 sec
 528 #OVERLAP evdw > 1d10   1.00000E+20
 529  #OVERLAPing residues             4
 530    9  25  11  27
 531  #OVERLAPing all corrected after             2  random generation
 532 #OVERLAP evdw after   1.95114E+12
 533 Waiting for     0.0382 sec
 534 Waiting for     0.0007 sec
 535 Waiting for     0.0394 sec
 536 #OVERLAP evdw > 1d10   1.00000E+20
 537  #OVERLAPing residues             2
 538    4  27
 539  #OVERLAPing all corrected after             1  random generation
 540 #OVERLAP evdw after   1.62733E+04
 541 Waiting for     0.0380 sec
 542 Waiting for     0.0446 sec
 543 Waiting for     0.0389 sec
 544 Waiting for     0.0395 sec
 545 Waiting for     0.0585 sec
 546 Waiting for     0.0393 sec
 547 Waiting for     0.0382 sec
 548 Waiting for     0.0384 sec
 549 Waiting for     0.1606 sec
 550 Waiting for     0.0007 sec
 551 #OVERLAP evdw > 1d10   1.00000E+20
 552  #OVERLAPing residues             2
 553    3  26
 554  #OVERLAPing all corrected after             2  random generation
 555 #OVERLAP evdw after   1.32255E+20
 556 Waiting for     0.0740 sec
 557 #OVERLAP evdw > 1d10   1.00000E+20
 558  #OVERLAPing residues             2
 559    9  23
 560  #OVERLAPing all corrected after             8  random generation
 561 #OVERLAP evdw after   3.14121E+28
 562 Waiting for     0.0385 sec
 563 #OVERLAP evdw > 1d10   1.00000E+20
 564  #OVERLAPing residues             2
 565   24  27
 566  #OVERLAPing all corrected after             1  random generation
 567 #OVERLAP evdw after  -3.05462E+01
 568 Waiting for     0.0398 sec
 569 Waiting for     0.0390 sec
 570 #OVERLAP evdw > 1d10   1.00000E+20
 571  #OVERLAPing residues             4
 572    5  27  11  25
 573  #OVERLAPing all corrected after             1  random generation
 574 #OVERLAP evdw after   4.16021E+14
 575 Waiting for     0.5265 sec
 576 Waiting for     0.0395 sec
 577 Waiting for     0.0394 sec
 578 Waiting for     0.0006 sec
 579 Waiting for     0.0431 sec
 580 Waiting for     0.0387 sec
 581 Waiting for     0.0391 sec
 582 Waiting for     0.0388 sec
 583 #OVERLAP evdw > 1d10   1.00000E+20
 584  #OVERLAPing residues             2
 585   14  16
 586  #OVERLAPing all corrected after             1  random generation
 587 #OVERLAP evdw after  -1.56870E+01
 588 Waiting for     0.0397 sec
 589 Waiting for     0.0007 sec
 590 Waiting for     0.0395 sec
 591 Waiting for     0.0394 sec
 592 Waiting for     0.0383 sec
 593 Waiting for     0.0394 sec
 594 #OVERLAP evdw > 1d10   1.00000E+20
 595  #OVERLAPing residues             2
 596    2  29
 597  #OVERLAPing all corrected after             1  random generation
 598 #OVERLAP evdw after   2.78954E+03
 599 Waiting for     0.0381 sec
 600 #OVERLAP evdw > 1d10   1.00000E+20
 601  #OVERLAPing residues             2
 602    6  22
 603  #OVERLAPing all corrected after             1  random generation
 604 #OVERLAP evdw after   1.50794E+08
 605 Waiting for     0.0501 sec
 606 Waiting for     0.0822 sec
 607 Waiting for     0.0007 sec
 608 Waiting for     0.0395 sec
 609 Waiting for     0.0378 sec
 610 Waiting for     0.0396 sec
 611 #OVERLAP evdw > 1d10   1.00000E+20
 612  #OVERLAPing residues             2
 613   12  25
 614  #OVERLAPing all corrected after             1  random generation
 615 #OVERLAP evdw after   1.36300E+02
 616 Waiting for     0.0397 sec
 617 Waiting for     0.0873 sec
 618 Waiting for     0.0007 sec
 619 Waiting for     0.0384 sec
 620 Waiting for     0.0078 sec
 621 #OVERLAP evdw > 1d10   1.00000E+20
 622  #OVERLAPing residues             2
 623   13  25
 624  #OVERLAPing all corrected after             1  random generation
 625 #OVERLAP evdw after   6.85665E+10
 626 Waiting for     0.0555 sec
 627 Waiting for     0.6018 sec
 628 Waiting for     0.0383 sec
 629 Waiting for     0.0378 sec
 630 Waiting for     0.0379 sec
 631 #OVERLAP evdw > 1d10   1.00000E+20
 632  #OVERLAPing residues             4
 633    4  25   8  13
 634  #OVERLAPing all corrected after             2  random generation
 635 #OVERLAP evdw after   1.67632E+07
 636 Waiting for     0.0383 sec
 637 Waiting for     0.0394 sec
 638 Waiting for     0.0384 sec
 639 Waiting for     0.0390 sec
 640 Waiting for     0.0383 sec
 641 Waiting for     0.0390 sec
 642 Waiting for     0.0388 sec
 643 Waiting for     0.0596 sec
 644 Waiting for     0.0391 sec
 645 #OVERLAP evdw > 1d10   1.00000E+20
 646  #OVERLAPing residues             2
 647   17  25
 648  #OVERLAPing all corrected after             2  random generation
 649 #OVERLAP evdw after   3.33331E+14
 650 Waiting for     0.0395 sec
 651 Waiting for     0.0395 sec
 652 Waiting for     0.0007 sec
 653 Waiting for     0.0393 sec
 654 Waiting for     0.0383 sec
 655 #OVERLAP evdw > 1d10   1.00000E+20
 656  #OVERLAPing residues             2
 657    4  17
 658  #OVERLAPing all corrected after             1  random generation
 659 #OVERLAP evdw after   3.72163E+06
 660 Waiting for     0.0380 sec
 661 Waiting for     0.0381 sec
 662 #OVERLAP evdw > 1d10   1.00000E+20
 663  #OVERLAPing residues             2
 664    4  23
 665  #OVERLAPing all corrected after             1  random generation
 666 #OVERLAP evdw after   1.40982E+10
 667 Waiting for     0.0383 sec
 668 Waiting for     0.0384 sec
 669 #OVERLAP evdw > 1d10   1.00000E+20
 670  #OVERLAPing residues             2
 671   11  27
 672  #OVERLAPing all corrected after             3  random generation
 673 #OVERLAP evdw after   5.74713E+08
 674 Waiting for     0.0394 sec
 675 #OVERLAP evdw > 1d10   1.00000E+20
 676  #OVERLAPing residues             3
 677    2  27   9
 678  #OVERLAPing all corrected after             1  random generation
 679 #OVERLAP evdw after   6.45587E+16
 680 Waiting for     0.0006 sec
 681 #OVERLAP evdw > 1d10   1.00000E+20
 682  #OVERLAPing residues             5
 683   12  26  13  25  14
 684  #OVERLAPing all corrected after             3  random generation
 685 #OVERLAP evdw after   1.11578E+09
 686 Waiting for     0.0399 sec
 687 Waiting for     0.0382 sec
 688 Waiting for     0.0386 sec
 689 #OVERLAP evdw > 1d10   1.00000E+20
 690  #OVERLAPing residues             2
 691    9  27
 692  #OVERLAPing all corrected after             1  random generation
 693 #OVERLAP evdw after   7.27196E+06
 694 Waiting for     0.0389 sec
 695 Waiting for     0.0386 sec
 696 Waiting for     0.0515 sec
 697 #OVERLAP evdw > 1d10   1.00000E+20
 698  #OVERLAPing residues             2
 699    9  17
 700  #OVERLAPing all corrected after             5  random generation
 701 #OVERLAP evdw after   1.56763E+20
 702 Waiting for     0.0512 sec
 703 Waiting for     0.0624 sec
 704 Waiting for     0.0388 sec
 705 #OVERLAP evdw > 1d10   1.00000E+20
 706  #OVERLAPing residues             2
 707   14  21
 708  #OVERLAPing all corrected after             1  random generation
 709 #OVERLAP evdw after   1.32589E+25
 710 Waiting for     0.0390 sec
 711 Waiting for     0.0383 sec
 712 #OVERLAP evdw > 1d10   1.00000E+20
 713  #OVERLAPing residues             5
 714    6  13   7  14  15
 715  #OVERLAPing all corrected after            16  random generation
 716 #OVERLAP evdw after   1.72281E+23
 717 Waiting for     0.0384 sec
 718 Waiting for     0.0765 sec
 719 Waiting for     0.0490 sec
 720 #OVERLAP evdw > 1d10   1.00000E+20
 721  #OVERLAPing residues             6
 722    3  20   6  27   7  28
 723  #OVERLAPing NOT all corrected             2
 724    6  27
 725 #OVERLAP evdw after   1.00000E+20
 726 Waiting for     0.0396 sec
 727 Waiting for     0.0393 sec
 728 Waiting for     1.7098 sec
 729 Waiting for     0.0167 sec
 730 Waiting for     0.0392 sec
 731 Waiting for     0.0397 sec
 732 Waiting for     0.0769 sec
 733 Waiting for     0.7601 sec
 734 Waiting for     0.0376 sec
 735 Waiting for     0.0391 sec
 736 Waiting for     0.0170 sec
 737 Waiting for     0.0394 sec
 738 Waiting for     1.2918 sec
 739 #OVERLAP evdw > 1d10   1.00000E+20
 740  #OVERLAPing residues             2
 741   11  26
 742  #OVERLAPing all corrected after             2  random generation
 743 #OVERLAP evdw after   4.88960E+04
 744 Waiting for     0.0381 sec
 745 Waiting for     0.0385 sec
 746 Waiting for     0.0381 sec
 747 Waiting for     0.0380 sec
 748 Waiting for     0.0379 sec
 749 Waiting for     0.0382 sec
 750 #OVERLAP evdw > 1d10   1.00000E+20
 751  #OVERLAPing residues             2
 752    3  17
 753  #OVERLAPing all corrected after             2  random generation
 754 #OVERLAP evdw after   2.63405E+18
 755 Waiting for     0.0384 sec
 756 Waiting for     0.0392 sec
 757 Waiting for     0.0381 sec
 758 Waiting for     0.0582 sec
 759 #OVERLAP evdw > 1d10   1.00000E+20
 760  #OVERLAPing residues             2
 761    8  24
 762  #OVERLAPing all corrected after             1  random generation
 763 #OVERLAP evdw after   1.38984E+12
 764 Waiting for     0.0384 sec
 765 Waiting for     1.4612 sec
 766 #OVERLAP evdw > 1d10   1.00000E+20
 767  #OVERLAPing residues             5
 768    6  17   7  23   8
 769  #OVERLAPing NOT all corrected             2
 770    6  17
 771 #OVERLAP evdw after   1.00000E+20
 772 Waiting for     0.0008 sec
 773 Waiting for     0.0391 sec
 774 Waiting for     0.0004 sec
 775 Waiting for     0.0596 sec
 776 Waiting for     0.0385 sec
 777 Waiting for     0.0382 sec
 778 Waiting for     0.0389 sec
 779 Waiting for     0.0543 sec
 780 Waiting for     0.0392 sec
 781 #OVERLAP evdw > 1d10   1.00000E+20
 782  #OVERLAPing residues             2
 783   10  29
 784  #OVERLAPing all corrected after             1  random generation
 785 #OVERLAP evdw after   1.76581E+05
 786 Waiting for     0.0642 sec
 787 Waiting for     0.0486 sec
 788 Waiting for     0.0008 sec
 789 Waiting for     0.0389 sec
 790 Waiting for     0.0527 sec
 791 Waiting for     0.0381 sec
 792 Waiting for     0.5603 sec
 793 Waiting for     0.0006 sec
 794 Waiting for     0.0397 sec
 795 Waiting for     0.0398 sec
 796 Waiting for     0.0007 sec
 797 Waiting for     0.5243 sec
 798 Waiting for     0.0006 sec
 799 Waiting for     0.0452 sec
 800 #OVERLAP evdw > 1d10   1.00000E+20
 801  #OVERLAPing residues             2
 802    4  23
 803  #OVERLAPing all corrected after             1  random generation
 804 #OVERLAP evdw after   5.98669E+10
 805 Waiting for     0.0553 sec
 806 Waiting for     0.0394 sec
 807 Waiting for     0.0380 sec
 808  End of minim, proc           27 time     3403.873495000000
 809 Processor  27 is finishing work.
 810  Total time    3435.702536000000       sec