examples/unres/CSA/CASP5/CSA/run1/output/1fsd_CASP5.out_GB031

   1 --------------------------------------------------------------------------------
   2                               FILE ASSIGNMENT
   3 --------------------------------------------------------------------------------
   4  Input file                      : 1fsd_CASP5.inp
   5  Output file                     : 1fsd_CASP5.out_GB031
   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=            31  iseed(4)=             0            0          -21
  47        -59423
  48  ran_num   0.3131707608699799
  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     1.3270 sec
 146 Waiting for     0.0005 sec
 147 Waiting for     0.0684 sec
 148 Waiting for     1.2163 sec
 149 Waiting for     0.0384 sec
 150 Waiting for     0.0382 sec
 151 Waiting for     0.0383 sec
 152 Waiting for     1.2888 sec
 153 Waiting for     0.0006 sec
 154 Waiting for     0.0735 sec
 155 Waiting for     0.0382 sec
 156 Waiting for     0.0395 sec
 157 #OVERLAP evdw > 1d10   1.00000E+20
 158  #OVERLAPing residues             2
 159    8  25
 160  #OVERLAPing all corrected after             1  random generation
 161 #OVERLAP evdw after   9.55480E+07
 162 Waiting for     0.7030 sec
 163 Waiting for     0.0388 sec
 164 Waiting for     0.0384 sec
 165 Waiting for     0.0386 sec
 166 Waiting for     0.0396 sec
 167 Waiting for     0.8409 sec
 168 Waiting for     0.0007 sec
 169 Waiting for     0.0007 sec
 170 Waiting for     0.0381 sec
 171 Waiting for     0.0390 sec
 172 Waiting for     0.0380 sec
 173 Waiting for     0.0386 sec
 174 Waiting for     0.0380 sec
 175 Waiting for     0.0590 sec
 176 Waiting for     0.0382 sec
 177 #OVERLAP evdw > 1d10   1.00000E+20
 178  #OVERLAPing residues             2
 179    4  11
 180  #OVERLAPing all corrected after             1  random generation
 181 #OVERLAP evdw after   1.73520E+06
 182 Waiting for     0.0397 sec
 183 Waiting for     0.0390 sec
 184 Waiting for     0.0385 sec
 185 Waiting for     0.0393 sec
 186 #OVERLAP evdw > 1d10   1.00000E+20
 187  #OVERLAPing residues             2
 188   13  27
 189  #OVERLAPing all corrected after             1  random generation
 190 #OVERLAP evdw after   6.48710E+12
 191 Waiting for     0.0571 sec
 192 Waiting for     0.0381 sec
 193 #OVERLAP evdw > 1d10   1.00000E+20
 194  #OVERLAPing residues             2
 195   12  29
 196  #OVERLAPing all corrected after             1  random generation
 197 #OVERLAP evdw after   4.96894E+05
 198 Waiting for     0.0390 sec
 199 Waiting for     0.0380 sec
 200 Waiting for     0.0007 sec
 201 Waiting for     0.0395 sec
 202 #OVERLAP evdw > 1d10   1.00000E+20
 203  #OVERLAPing residues             4
 204    7  20   9  22
 205  #OVERLAPing all corrected after             2  random generation
 206 #OVERLAP evdw after   8.24096E+10
 207 Waiting for     0.0381 sec
 208 Waiting for     0.0396 sec
 209 #OVERLAP evdw > 1d10   1.00000E+20
 210  #OVERLAPing residues             2
 211    7  27
 212  #OVERLAPing all corrected after             2  random generation
 213 #OVERLAP evdw after   3.16916E+05
 214 Waiting for     0.0388 sec
 215 Waiting for     0.0586 sec
 216 Waiting for     0.0397 sec
 217 #OVERLAP evdw > 1d10   1.00000E+20
 218  #OVERLAPing residues             2
 219    3  11
 220  #OVERLAPing all corrected after             1  random generation
 221 #OVERLAP evdw after   3.31500E+01
 222 Waiting for     0.0395 sec
 223 Waiting for     0.0390 sec
 224 Waiting for     0.0794 sec
 225 Waiting for     0.0007 sec
 226 #OVERLAP evdw > 1d10   1.00000E+20
 227  #OVERLAPing residues             2
 228    4  19
 229  #OVERLAPing all corrected after             1  random generation
 230 #OVERLAP evdw after   4.88640E+02
 231 Waiting for     0.0704 sec
 232 Waiting for     0.0382 sec
 233 Waiting for     0.0392 sec
 234 Waiting for     0.0390 sec
 235 Waiting for     0.0660 sec
 236 Waiting for     0.0396 sec
 237 Waiting for     0.0215 sec
 238 Waiting for     0.0391 sec
 239 Waiting for     0.0389 sec
 240 Waiting for     0.0581 sec
 241 Waiting for     0.0754 sec
 242 #OVERLAP evdw > 1d10   1.00000E+20
 243  #OVERLAPing residues             2
 244    7  13
 245  #OVERLAPing all corrected after             1  random generation
 246 #OVERLAP evdw after   1.33134E+04
 247 Waiting for     0.0379 sec
 248 Waiting for     0.0388 sec
 249 Waiting for     0.0388 sec
 250 Waiting for     0.0007 sec
 251 #OVERLAP evdw > 1d10   1.00000E+20
 252  #OVERLAPing residues             2
 253   11  21
 254  #OVERLAPing all corrected after             1  random generation
 255 #OVERLAP evdw after   1.09797E+04
 256 Waiting for     0.0396 sec
 257 Waiting for     0.0680 sec
 258 Waiting for     0.0600 sec
 259 Waiting for     0.0504 sec
 260 Waiting for     0.0389 sec
 261 Waiting for     0.0384 sec
 262 #OVERLAP evdw > 1d10   1.00000E+20
 263  #OVERLAPing residues             2
 264    9  24
 265  #OVERLAPing all corrected after             1  random generation
 266 #OVERLAP evdw after   3.54480E+03
 267 Waiting for     0.0391 sec
 268 #OVERLAP evdw > 1d10   8.05337E+21
 269  #OVERLAPing residues             0
 270
 271  #OVERLAPing all corrected after             1  random generation
 272 #OVERLAP evdw after   8.05337E+21
 273 Waiting for     0.0008 sec
 274 Waiting for     0.0393 sec
 275 Waiting for     0.0393 sec
 276 #OVERLAP evdw > 1d10   1.00000E+20
 277  #OVERLAPing residues             2
 278   12  25
 279  #OVERLAPing all corrected after             2  random generation
 280 #OVERLAP evdw after   9.81101E+05
 281 Waiting for     0.0378 sec
 282 Waiting for     0.0393 sec
 283 #OVERLAP evdw > 1d10   1.00000E+20
 284  #OVERLAPing residues             2
 285   11  29
 286  #OVERLAPing all corrected after             2  random generation
 287 #OVERLAP evdw after   8.77933E+17
 288 Waiting for     0.0386 sec
 289 Waiting for     0.0393 sec
 290 Waiting for     0.0392 sec
 291 #OVERLAP evdw > 1d10   1.00000E+20
 292  #OVERLAPing residues             2
 293    7  22
 294  #OVERLAPing all corrected after             1  random generation
 295 #OVERLAP evdw after   2.72073E+01
 296 Waiting for     0.0381 sec
 297 Waiting for     0.0399 sec
 298 Waiting for     0.0006 sec
 299 #OVERLAP evdw > 1d10   1.00000E+20
 300  #OVERLAPing residues             2
 301    7  26
 302  #OVERLAPing all corrected after             3  random generation
 303 #OVERLAP evdw after   4.03418E+03
 304 Waiting for     0.0832 sec
 305 Waiting for     0.0006 sec
 306 #OVERLAP evdw > 1d10   1.00000E+20
 307  #OVERLAPing residues             3
 308    4  17  22
 309  #OVERLAPing all corrected after             2  random generation
 310 #OVERLAP evdw after   1.43688E+10
 311 Waiting for     0.0391 sec
 312 Waiting for     0.5084 sec
 313 Waiting for     0.0007 sec
 314 Waiting for     0.0387 sec
 315 Waiting for     0.0008 sec
 316 Waiting for     0.0387 sec
 317 Waiting for     0.0390 sec
 318 #OVERLAP evdw > 1d10   1.00000E+20
 319  #OVERLAPing residues             2
 320    7  25
 321  #OVERLAPing all corrected after             6  random generation
 322 #OVERLAP evdw after   1.25678E+15
 323 Waiting for     0.0394 sec
 324 Waiting for     0.0397 sec
 325 Waiting for     0.0389 sec
 326 Waiting for     0.0396 sec
 327 #OVERLAP evdw > 1d10   1.00000E+20
 328  #OVERLAPing residues             2
 329   14  25
 330  #OVERLAPing all corrected after             2  random generation
 331 #OVERLAP evdw after   3.32255E+08
 332 Waiting for     0.0399 sec
 333 Waiting for     0.0385 sec
 334 Waiting for     0.0386 sec
 335 Waiting for     0.0395 sec
 336 Waiting for     0.0639 sec
 337 Waiting for     0.0390 sec
 338 Waiting for     0.0397 sec
 339 Waiting for     0.0381 sec
 340 Waiting for     0.0389 sec
 341 Waiting for     0.0389 sec
 342 Waiting for     0.0006 sec
 343 Waiting for     0.0378 sec
 344 Waiting for     0.0397 sec
 345 Waiting for     0.0746 sec
 346 #OVERLAP evdw > 1d10   1.00000E+20
 347  #OVERLAPing residues             2
 348    7  14
 349  #OVERLAPing all corrected after             1  random generation
 350 #OVERLAP evdw after   1.93417E+12
 351 Waiting for     0.0386 sec
 352 Waiting for     0.0384 sec
 353 Waiting for     0.0395 sec
 354 Waiting for     0.0394 sec
 355 Waiting for     1.5278 sec
 356 Waiting for     0.0383 sec
 357 #OVERLAP evdw > 1d10   1.00000E+20
 358  #OVERLAPing residues             2
 359   12  24
 360  #OVERLAPing all corrected after             1  random generation
 361 #OVERLAP evdw after   2.99013E+08
 362 Waiting for     0.0684 sec
 363 Waiting for     0.0381 sec
 364 Waiting for     0.0396 sec
 365 Waiting for     0.0392 sec
 366 Waiting for     0.7688 sec
 367 Waiting for     0.0007 sec
 368 #OVERLAP evdw > 1d10   1.00000E+20
 369  #OVERLAPing residues             4
 370    4  11   7  20
 371  #OVERLAPing all corrected after             1  random generation
 372 #OVERLAP evdw after   9.92339E+09
 373 Waiting for     0.0393 sec
 374 #OVERLAP evdw > 1d10   1.00000E+20
 375  #OVERLAPing residues             2
 376    3  11
 377  #OVERLAPing all corrected after             2  random generation
 378 #OVERLAP evdw after   1.03542E+10
 379 Waiting for     0.0387 sec
 380 Waiting for     0.0392 sec
 381 Waiting for     1.9399 sec
 382 Waiting for     0.0004 sec
 383 Waiting for     0.0380 sec
 384 Waiting for     0.0393 sec
 385 Waiting for     0.0387 sec
 386 Waiting for     0.1480 sec
 387 Waiting for     0.0357 sec
 388 Waiting for     0.0382 sec
 389 Waiting for     0.0382 sec
 390 Waiting for     1.3022 sec
 391 #OVERLAP evdw > 1d10   1.00000E+20
 392  #OVERLAPing residues             2
 393    7  24
 394  #OVERLAPing all corrected after             2  random generation
 395 #OVERLAP evdw after   1.60597E+12
 396 Waiting for     0.0005 sec
 397 Waiting for     0.0389 sec
 398 #OVERLAP evdw > 1d10   1.00000E+20
 399  #OVERLAPing residues             4
 400    4  29   5  26
 401  #OVERLAPing all corrected after            27  random generation
 402 #OVERLAP evdw after   3.91048E+21
 403 Waiting for     0.0592 sec
 404 Waiting for     0.0379 sec
 405 Waiting for     0.0006 sec
 406 Waiting for     0.0396 sec
 407 Waiting for     0.0381 sec
 408 #OVERLAP evdw > 1d10   1.00000E+20
 409  #OVERLAPing residues             5
 410   14  26  16  25  17
 411  #OVERLAPing all corrected after             1  random generation
 412 #OVERLAP evdw after   1.62226E+17
 413 Waiting for     0.0382 sec
 414 Waiting for     0.0397 sec
 415 #OVERLAP evdw > 1d10   1.00000E+20
 416  #OVERLAPing residues             2
 417    6  23
 418  #OVERLAPing all corrected after             3  random generation
 419 #OVERLAP evdw after   5.14471E+20
 420 Waiting for     0.0482 sec
 421 #OVERLAP evdw > 1d10   1.00000E+20
 422  #OVERLAPing residues             4
 423    7  23   9  13
 424  #OVERLAPing all corrected after             1  random generation
 425 #OVERLAP evdw after   8.44285E+06
 426 Waiting for     0.0381 sec
 427 Waiting for     1.2375 sec
 428 Waiting for     0.0007 sec
 429 Waiting for     0.0446 sec
 430 Waiting for     0.0432 sec
 431 #OVERLAP evdw > 1d10   1.00000E+20
 432  #OVERLAPing residues             2
 433   11  20
 434  #OVERLAPing all corrected after             1  random generation
 435 #OVERLAP evdw after   2.18095E+13
 436 Waiting for     0.0397 sec
 437 Waiting for     0.0381 sec
 438 Waiting for     0.0399 sec
 439 Waiting for     0.0394 sec
 440 Waiting for     0.0397 sec
 441 Waiting for     0.2102 sec
 442 Waiting for     0.0004 sec
 443 Waiting for     0.0394 sec
 444 #OVERLAP evdw > 1d10   1.00000E+20
 445  #OVERLAPing residues             4
 446    5  20   7  21
 447  #OVERLAPing all corrected after             1  random generation
 448 #OVERLAP evdw after   3.86677E+09
 449 Waiting for     0.0383 sec
 450 Waiting for     0.0391 sec
 451 Waiting for     0.0395 sec
 452 Waiting for     1.3913 sec
 453 Waiting for     0.0006 sec
 454 Waiting for     0.0384 sec
 455 Waiting for     0.0006 sec
 456 Waiting for     0.0387 sec
 457 Waiting for     0.0397 sec
 458 Waiting for     0.2776 sec
 459 #OVERLAP evdw > 1d10   1.00000E+20
 460  #OVERLAPing residues             2
 461    4  20
 462  #OVERLAPing all corrected after             1  random generation
 463 #OVERLAP evdw after   7.12133E+09
 464 Waiting for     0.0005 sec
 465 Waiting for     0.0388 sec
 466 Waiting for     0.0380 sec
 467 #OVERLAP evdw > 1d10   9.40747E+20
 468  #OVERLAPing residues             0
 469
 470  #OVERLAPing all corrected after             1  random generation
 471 #OVERLAP evdw after   9.40747E+20
 472 Waiting for     0.0388 sec
 473 #OVERLAP evdw > 1d10   1.00000E+20
 474  #OVERLAPing residues             2
 475    5  11
 476  #OVERLAPing all corrected after             1  random generation
 477 #OVERLAP evdw after   1.17734E+15
 478 Waiting for     0.0501 sec
 479 #OVERLAP evdw > 1d10   1.00000E+20
 480  #OVERLAPing residues             2
 481    4  27
 482  #OVERLAPing all corrected after             1  random generation
 483 #OVERLAP evdw after   4.50428E+04
 484 Waiting for     0.0379 sec
 485 Waiting for     0.0445 sec
 486 Waiting for     0.0398 sec
 487 Waiting for     0.0385 sec
 488 #OVERLAP evdw > 1d10   1.00000E+20
 489  #OVERLAPing residues             2
 490    4   8
 491  #OVERLAPing all corrected after             1  random generation
 492 #OVERLAP evdw after   4.09026E+04
 493 Waiting for     0.0383 sec
 494 Waiting for     0.0630 sec
 495 Waiting for     0.0384 sec
 496 #OVERLAP evdw > 1d10   1.00000E+20
 497  #OVERLAPing residues             2
 498   11  27
 499  #OVERLAPing all corrected after             1  random generation
 500 #OVERLAP evdw after   1.36689E+10
 501 Waiting for     0.0400 sec
 502 #OVERLAP evdw > 1d10   1.00000E+20
 503  #OVERLAPing residues             2
 504   10  16
 505  #OVERLAPing all corrected after             1  random generation
 506 #OVERLAP evdw after   6.35540E+06
 507 Waiting for     0.0007 sec
 508 #OVERLAP evdw > 1d10   1.00000E+20
 509  #OVERLAPing residues             2
 510   14  29
 511  #OVERLAPing all corrected after             3  random generation
 512 #OVERLAP evdw after   2.37787E+07
 513 Waiting for     1.5444 sec
 514 Waiting for     0.0006 sec
 515 Waiting for     0.0384 sec
 516 #OVERLAP evdw > 1d10   1.00000E+20
 517  #OVERLAPing residues             4
 518    2  27   7  20
 519  #OVERLAPing all corrected after             1  random generation
 520 #OVERLAP evdw after   2.39531E+12
 521 Waiting for     0.0399 sec
 522 Waiting for     0.0378 sec
 523 Waiting for     0.0380 sec
 524 Waiting for     0.0754 sec
 525 Waiting for     0.0249 sec
 526 Waiting for     0.0393 sec
 527 Waiting for     0.0389 sec
 528 Waiting for     0.0390 sec
 529 #OVERLAP evdw > 1d10   1.00000E+20
 530  #OVERLAPing residues             2
 531    9  18
 532  #OVERLAPing all corrected after             1  random generation
 533 #OVERLAP evdw after   3.31757E+13
 534 Waiting for     0.0391 sec
 535 Waiting for     0.0401 sec
 536 Waiting for     0.0389 sec
 537 Waiting for     0.0394 sec
 538 #OVERLAP evdw > 1d10   1.00000E+20
 539  #OVERLAPing residues             2
 540   16  20
 541  #OVERLAPing all corrected after             1  random generation
 542 #OVERLAP evdw after   2.93238E+09
 543 Waiting for     0.0386 sec
 544 Waiting for     0.0006 sec
 545 Waiting for     0.0396 sec
 546 Waiting for     0.0385 sec
 547 Waiting for     0.0383 sec
 548 Waiting for     0.0607 sec
 549 Waiting for     0.0387 sec
 550 Waiting for     0.0391 sec
 551 Waiting for     0.1206 sec
 552 Waiting for     0.0118 sec
 553 Waiting for     0.0389 sec
 554 Waiting for     0.0382 sec
 555 Waiting for     0.0568 sec
 556 Waiting for     0.6513 sec
 557 Waiting for     0.0006 sec
 558 Waiting for     0.0697 sec
 559 #OVERLAP evdw > 1d10   1.00000E+20
 560  #OVERLAPing residues             2
 561    4  24
 562  #OVERLAPing all corrected after             1  random generation
 563 #OVERLAP evdw after   2.21112E+16
 564 Waiting for     0.0585 sec
 565 Waiting for     0.0442 sec
 566 Waiting for     0.0398 sec
 567 Waiting for     0.3357 sec
 568 Waiting for     0.0734 sec
 569 Waiting for     0.0381 sec
 570 Waiting for     0.0385 sec
 571 #OVERLAP evdw > 1d10   1.00000E+20
 572  #OVERLAPing residues             2
 573   14  25
 574  #OVERLAPing all corrected after             1  random generation
 575 #OVERLAP evdw after   7.63911E+05
 576 Waiting for     0.0381 sec
 577 Waiting for     0.0395 sec
 578 #OVERLAP evdw > 1d10   1.00000E+20
 579  #OVERLAPing residues             4
 580    7  25   9  27
 581  #OVERLAPing all corrected after             7  random generation
 582 #OVERLAP evdw after   1.22029E+18
 583 Waiting for     0.0381 sec
 584 #OVERLAP evdw > 1d10   1.00000E+20
 585  #OVERLAPing residues             2
 586   14  23
 587  #OVERLAPing all corrected after             1  random generation
 588 #OVERLAP evdw after   6.00524E+10
 589 Waiting for     0.0034 sec
 590 Waiting for     0.0382 sec
 591 Waiting for     0.0391 sec
 592 Waiting for     0.0380 sec
 593 Waiting for     0.0379 sec
 594 Waiting for     0.0385 sec
 595 Waiting for     0.0384 sec
 596 Waiting for     0.0387 sec
 597 Waiting for     0.0047 sec
 598 Waiting for     0.0389 sec
 599 Waiting for     0.0388 sec
 600 Waiting for     0.0605 sec
 601 #OVERLAP evdw > 1d10   1.00000E+20
 602  #OVERLAPing residues             5
 603    4  14  27  19  25
 604  #OVERLAPing all corrected after             8  random generation
 605 #OVERLAP evdw after   4.93660E+13
 606 Waiting for     0.0385 sec
 607 Waiting for     0.0384 sec
 608 Waiting for     0.0498 sec
 609 Waiting for     0.0383 sec
 610 Waiting for     0.0007 sec
 611 Waiting for     0.0386 sec
 612 #OVERLAP evdw > 1d10   1.00000E+20
 613  #OVERLAPing residues             2
 614    7  15
 615  #OVERLAPing all corrected after             2  random generation
 616 #OVERLAP evdw after   7.96482E+08
 617 Waiting for     0.0382 sec
 618 Waiting for     0.0391 sec
 619 Waiting for     0.0602 sec
 620 Waiting for     0.0379 sec
 621 Waiting for     0.0394 sec
 622 #OVERLAP evdw > 1d10   1.00000E+20
 623  #OVERLAPing residues             3
 624    7  25   8
 625  #OVERLAPing all corrected after             1  random generation
 626 #OVERLAP evdw after   4.57690E+05
 627 Waiting for     0.0389 sec
 628 Waiting for     0.0395 sec
 629 #OVERLAP evdw > 1d10   1.00000E+20
 630  #OVERLAPing residues             7
 631    5  20   7  26  27   9  25
 632  #OVERLAPing all corrected after             5  random generation
 633 #OVERLAP evdw after   4.43351E+10
 634 Waiting for     0.0008 sec
 635 Waiting for     0.0395 sec
 636 Waiting for     0.0382 sec
 637 Waiting for     0.0396 sec
 638 Waiting for     0.0393 sec
 639 Waiting for     0.0385 sec
 640 #OVERLAP evdw > 1d10   1.00000E+20
 641  #OVERLAPing residues             4
 642   19  26  20  23
 643  #OVERLAPing all corrected after             2  random generation
 644 #OVERLAP evdw after   1.60861E+14
 645 Waiting for     0.0387 sec
 646 Waiting for     1.5148 sec
 647 Waiting for     0.0007 sec
 648 #OVERLAP evdw > 1d10   1.00000E+20
 649  #OVERLAPing residues             4
 650   17  27  18  26
 651  #OVERLAPing all corrected after             4  random generation
 652 #OVERLAP evdw after   1.06706E+18
 653 Waiting for     0.0396 sec
 654 #OVERLAP evdw > 1d10   1.00000E+20
 655  #OVERLAPing residues             2
 656    5  11
 657  #OVERLAPing all corrected after             6  random generation
 658 #OVERLAP evdw after   2.73830E+12
 659 Waiting for     0.0383 sec
 660 Waiting for     0.0391 sec
 661 #OVERLAP evdw > 1d10   1.00000E+20
 662  #OVERLAPing residues             3
 663    7  23  26
 664  #OVERLAPing all corrected after             2  random generation
 665 #OVERLAP evdw after   2.78853E+19
 666 Waiting for     0.0389 sec
 667 Waiting for     1.3759 sec
 668 Waiting for     0.0059 sec
 669 Waiting for     0.0476 sec
 670 Waiting for     0.0041 sec
 671 Waiting for     0.6848 sec
 672 Waiting for     0.0005 sec
 673 Waiting for     0.0394 sec
 674 #OVERLAP evdw > 1d10   1.00000E+20
 675  #OVERLAPing residues             2
 676   11  25
 677  #OVERLAPing all corrected after             1  random generation
 678 #OVERLAP evdw after   2.23799E+09
 679 Waiting for     0.0383 sec
 680 Waiting for     0.0490 sec
 681 #OVERLAP evdw > 1d10   1.00000E+20
 682  #OVERLAPing residues             2
 683   17  21
 684  #OVERLAPing all corrected after             1  random generation
 685 #OVERLAP evdw after   6.64456E+02
 686 Waiting for     0.0553 sec
 687 #OVERLAP evdw > 1d10   1.00000E+20
 688  #OVERLAPing residues             2
 689    4  20
 690  #OVERLAPing all corrected after             1  random generation
 691 #OVERLAP evdw after   2.64437E+18
 692 Waiting for     0.0884 sec
 693 Waiting for     0.0007 sec
 694 Waiting for     0.0389 sec
 695 Waiting for     0.0460 sec
 696 Waiting for     0.0394 sec
 697 Waiting for     0.0385 sec
 698 #OVERLAP evdw > 1d10   1.00000E+20
 699  #OVERLAPing residues             2
 700   20  22
 701  #OVERLAPing all corrected after             1  random generation
 702 #OVERLAP evdw after   1.27312E+03
 703 Waiting for     0.0383 sec
 704 #OVERLAP evdw > 1d10   1.00000E+20
 705  #OVERLAPing residues             2
 706    4  23
 707  #OVERLAPing all corrected after             8  random generation
 708 #OVERLAP evdw after   4.26203E+16
 709 Waiting for     0.0380 sec
 710 Waiting for     0.0378 sec
 711 #OVERLAP evdw > 1d10   1.00000E+20
 712  #OVERLAPing residues             4
 713    3  25   4   8
 714  #OVERLAPing all corrected after             1  random generation
 715 #OVERLAP evdw after   2.61142E+06
 716 Waiting for     0.0397 sec
 717 Waiting for     0.0007 sec
 718 Waiting for     0.0387 sec
 719 Waiting for     0.0397 sec
 720 Waiting for     0.0391 sec
 721 #OVERLAP evdw > 1d10   1.00000E+20
 722  #OVERLAPing residues             2
 723   10  29
 724  #OVERLAPing all corrected after             1  random generation
 725 #OVERLAP evdw after   1.54850E+05
 726 Waiting for     0.0380 sec
 727 Waiting for     0.0400 sec
 728 Waiting for     0.0395 sec
 729 #OVERLAP evdw > 1d10   1.00000E+20
 730  #OVERLAPing residues             4
 731    4   9  12  20
 732  #OVERLAPing all corrected after             1  random generation
 733 #OVERLAP evdw after   1.25158E+14
 734 Waiting for     0.0671 sec
 735 Waiting for     0.0045 sec
 736 Waiting for     0.0456 sec
 737 Waiting for     0.0393 sec
 738 Waiting for     0.0393 sec
 739 Waiting for     0.0389 sec
 740 Waiting for     0.0720 sec
 741 Waiting for     1.9651 sec
 742 Waiting for     0.0004 sec
 743 Waiting for     0.0392 sec
 744 Waiting for     0.0383 sec
 745 Waiting for     0.0394 sec
 746 Waiting for     0.2385 sec
 747 #OVERLAP evdw > 1d10   1.00000E+20
 748  #OVERLAPing residues             2
 749    5  27
 750  #OVERLAPing all corrected after             1  random generation
 751 #OVERLAP evdw after   1.79487E+05
 752 Waiting for     0.0363 sec
 753 Waiting for     0.0393 sec
 754 Waiting for     0.0392 sec
 755 #OVERLAP evdw > 1d10   1.00000E+20
 756  #OVERLAPing residues             2
 757    5  25
 758  #OVERLAPing NOT all corrected             2
 759    5  25
 760 #OVERLAP evdw after   1.00000E+20
 761 Waiting for     0.0382 sec
 762 Waiting for     0.0637 sec
 763 Waiting for     0.0088 sec
 764 #OVERLAP evdw > 1d10   1.00000E+20
 765  #OVERLAPing residues             2
 766    4  26
 767  #OVERLAPing all corrected after             1  random generation
 768 #OVERLAP evdw after   2.46714E+04
 769 Waiting for     0.0379 sec
 770 Waiting for     0.0393 sec
 771 Waiting for     0.0392 sec
 772 Waiting for     0.0388 sec
 773 Waiting for     0.0378 sec
 774 Waiting for     0.0389 sec
 775 Waiting for     0.0395 sec
 776 Waiting for     0.0356 sec
 777 Waiting for     0.0395 sec
 778 Waiting for     0.0393 sec
 779 Waiting for     0.0382 sec
 780 #OVERLAP evdw > 1d10   1.00000E+20
 781  #OVERLAPing residues             2
 782    4  26
 783  #OVERLAPing all corrected after             2  random generation
 784 #OVERLAP evdw after   4.57114E+09
 785 Waiting for     0.0389 sec
 786 Waiting for     0.0384 sec
 787 #OVERLAP evdw > 1d10   1.00000E+20
 788  #OVERLAPing residues             4
 789    4  20   6  17
 790  #OVERLAPing all corrected after             2  random generation
 791 #OVERLAP evdw after   9.05433E+07
 792 Waiting for     0.0456 sec
 793 Waiting for     0.0388 sec
 794 #OVERLAP evdw > 1d10   1.00000E+20
 795  #OVERLAPing residues             4
 796    4  19   7  21
 797  #OVERLAPing all corrected after             9  random generation
 798 #OVERLAP evdw after   3.66710E+25
 799 Waiting for     0.0007 sec
 800 Waiting for     0.0380 sec
 801 #OVERLAP evdw > 1d10   1.00000E+20
 802  #OVERLAPing residues             2
 803    3  23
 804  #OVERLAPing all corrected after             1  random generation
 805 #OVERLAP evdw after   7.62650E+08
 806 Waiting for     0.0392 sec
 807 #OVERLAP evdw > 1d10   1.00000E+20
 808  #OVERLAPing residues             2
 809    7  21
 810  #OVERLAPing all corrected after            25  random generation
 811 #OVERLAP evdw after   1.17045E+12
 812 Waiting for     0.0764 sec
 813 Waiting for     0.0662 sec
 814 Waiting for     0.0380 sec
 815 Waiting for     0.0392 sec
 816 Waiting for     0.0384 sec
 817 Waiting for     0.0392 sec
 818 Waiting for     2.6806 sec
 819 Waiting for     0.0004 sec
 820 Waiting for     0.0390 sec
 821 Waiting for     0.0381 sec
 822 Waiting for     0.0381 sec
 823 Waiting for     0.0385 sec
 824 Waiting for     0.0555 sec
 825 Waiting for     0.0381 sec
 826 Waiting for     0.0056 sec
 827 #OVERLAP evdw > 1d10   1.00000E+20
 828  #OVERLAPing residues             2
 829    6  25
 830  #OVERLAPing all corrected after             1  random generation
 831 #OVERLAP evdw after   6.44635E+01
 832 Waiting for     2.7208 sec
 833 #OVERLAP evdw > 1d10   1.00000E+20
 834  #OVERLAPing residues             2
 835    7  12
 836  #OVERLAPing all corrected after            63  random generation
 837 #OVERLAP evdw after   1.21362E+11
 838 Waiting for     0.0007 sec
 839 Waiting for     0.0390 sec
 840 Waiting for     0.0394 sec
 841 Waiting for     0.0387 sec
 842 Waiting for     0.0387 sec
 843 Waiting for     0.0388 sec
 844 Waiting for     0.0456 sec
 845 Waiting for     0.0397 sec
 846 Waiting for     0.0395 sec
 847 Waiting for     0.0383 sec
 848  End of minim, proc           31 time     3397.924506999999
 849 Processor  31 is finishing work.
 850  Total time    3435.704852999999       sec