examples/unres/CSA/CASP5/CSA/run1/output/1fsd_CASP5.out_GB029

   1 --------------------------------------------------------------------------------
   2                               FILE ASSIGNMENT
   3 --------------------------------------------------------------------------------
   4  Input file                      : 1fsd_CASP5.inp
   5  Output file                     : 1fsd_CASP5.out_GB029
   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=            29  iseed(4)=             0            0          -20
  47        -35229
  48  ran_num   0.4810986518859863
  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     0.0006 sec
 147 Waiting for     0.0378 sec
 148 Waiting for     1.2173 sec
 149 Waiting for     0.0626 sec
 150 Waiting for     0.0383 sec
 151 #OVERLAP evdw > 1d10   1.00000E+20
 152  #OVERLAPing residues             2
 153   13  26
 154  #OVERLAPing all corrected after             1  random generation
 155 #OVERLAP evdw after   9.43947E+06
 156 Waiting for     0.0891 sec
 157 Waiting for     0.0004 sec
 158 Waiting for     0.0397 sec
 159 Waiting for     0.0391 sec
 160 #OVERLAP evdw > 1d10   1.00000E+20
 161  #OVERLAPing residues             2
 162    2  18
 163  #OVERLAPing all corrected after             1  random generation
 164 #OVERLAP evdw after   9.51207E+03
 165 Waiting for     0.0007 sec
 166 Waiting for     0.0475 sec
 167 Waiting for     0.0385 sec
 168 #OVERLAP evdw > 1d10   1.00000E+20
 169  #OVERLAPing residues             2
 170    3  26
 171  #OVERLAPing all corrected after             1  random generation
 172 #OVERLAP evdw after   4.70353E+07
 173 Waiting for     0.0480 sec
 174 Waiting for     0.0648 sec
 175 Waiting for     0.0446 sec
 176 #OVERLAP evdw > 1d10   1.00000E+20
 177  #OVERLAPing residues             5
 178    7  14  22   9  21
 179  #OVERLAPing all corrected after             3  random generation
 180 #OVERLAP evdw after   3.00099E+10
 181 Waiting for     0.0383 sec
 182 Waiting for     0.7291 sec
 183 Waiting for     0.0138 sec
 184 Waiting for     0.0397 sec
 185 Waiting for     0.0389 sec
 186 Waiting for     0.0392 sec
 187 Waiting for     0.0386 sec
 188 Waiting for     0.0999 sec
 189 #OVERLAP evdw > 1d10   1.00000E+20
 190  #OVERLAPing residues             4
 191    9  27  11  26
 192  #OVERLAPing all corrected after             1  random generation
 193 #OVERLAP evdw after   8.35321E+08
 194 Waiting for     0.0008 sec
 195 Waiting for     0.0398 sec
 196 #OVERLAP evdw > 1d10   1.00000E+20
 197  #OVERLAPing residues             2
 198    8  23
 199  #OVERLAPing all corrected after             1  random generation
 200 #OVERLAP evdw after   3.07852E+05
 201 Waiting for     0.0388 sec
 202 Waiting for     0.0007 sec
 203 Waiting for     0.0388 sec
 204 Waiting for     0.0397 sec
 205 Waiting for     0.0390 sec
 206 Waiting for     0.0384 sec
 207 Waiting for     0.0397 sec
 208 #OVERLAP evdw > 1d10   1.00000E+20
 209  #OVERLAPing residues             2
 210    4  25
 211  #OVERLAPing all corrected after             1  random generation
 212 #OVERLAP evdw after   3.02408E+05
 213 Waiting for     0.0391 sec
 214 Waiting for     0.0389 sec
 215 Waiting for     0.0354 sec
 216 Waiting for     0.0392 sec
 217 Waiting for     0.0391 sec
 218 Waiting for     0.0394 sec
 219 #OVERLAP evdw > 1d10   1.00000E+20
 220  #OVERLAPing residues             2
 221    7  15
 222  #OVERLAPing all corrected after           198  random generation
 223 #OVERLAP evdw after   1.01914E+26
 224 Waiting for     0.0388 sec
 225 Waiting for     0.0388 sec
 226 Waiting for     0.0388 sec
 227 Waiting for     0.0389 sec
 228 Waiting for     0.0393 sec
 229 #OVERLAP evdw > 1d10   1.00000E+20
 230  #OVERLAPing residues             2
 231    8  22
 232  #OVERLAPing all corrected after             1  random generation
 233 #OVERLAP evdw after   5.14893E+14
 234 Waiting for     0.0177 sec
 235 Waiting for     0.0379 sec
 236 Waiting for     0.0389 sec
 237 #OVERLAP evdw > 1d10   1.00000E+20
 238  #OVERLAPing residues             2
 239   10  27
 240  #OVERLAPing NOT all corrected             2
 241   10  27
 242 #OVERLAP evdw after   1.00000E+20
 243 Waiting for     0.0382 sec
 244 Waiting for     0.0389 sec
 245 Waiting for     0.0397 sec
 246 Waiting for     0.0919 sec
 247 Waiting for     1.8303 sec
 248 Waiting for     0.0007 sec
 249 Waiting for     0.0611 sec
 250 Waiting for     0.0379 sec
 251 Waiting for     0.0400 sec
 252 Waiting for     0.0392 sec
 253 Waiting for     0.0396 sec
 254 Waiting for     0.0390 sec
 255 #OVERLAP evdw > 1d10   1.00000E+20
 256  #OVERLAPing residues             2
 257    4  22
 258  #OVERLAPing all corrected after             5  random generation
 259 #OVERLAP evdw after   4.19221E+11
 260 Waiting for     0.0393 sec
 261 Waiting for     0.0007 sec
 262 Waiting for     0.0386 sec
 263 Waiting for     0.0380 sec
 264 Waiting for     0.0389 sec
 265 Waiting for     0.0389 sec
 266 Waiting for     0.0384 sec
 267 Waiting for     0.0387 sec
 268 Waiting for     0.0786 sec
 269 Waiting for     0.0053 sec
 270 Waiting for     0.0380 sec
 271 Waiting for     0.0388 sec
 272 Waiting for     0.9285 sec
 273 Waiting for     0.0007 sec
 274 Waiting for     0.0392 sec
 275 Waiting for     0.0378 sec
 276 Waiting for     0.0380 sec
 277 #OVERLAP evdw > 1d10   1.00000E+20
 278  #OVERLAPing residues             4
 279    8  25  17  22
 280  #OVERLAPing all corrected after             1  random generation
 281 #OVERLAP evdw after   8.86729E+10
 282 Waiting for     0.0382 sec
 283 #OVERLAP evdw > 1d10   1.00000E+20
 284  #OVERLAPing residues             4
 285    8  26   9  27
 286  #OVERLAPing all corrected after             1  random generation
 287 #OVERLAP evdw after   5.92859E+05
 288 Waiting for     0.0007 sec
 289 Waiting for     0.0393 sec
 290 Waiting for     0.0486 sec
 291 #OVERLAP evdw > 1d10   1.00000E+20
 292  #OVERLAPing residues             2
 293   16  25
 294  #OVERLAPing all corrected after             1  random generation
 295 #OVERLAP evdw after   3.48550E+05
 296 Waiting for     0.0695 sec
 297 Waiting for     0.0745 sec
 298 Waiting for     0.0381 sec
 299 Waiting for     0.0664 sec
 300 Waiting for     0.0991 sec
 301 Waiting for     0.0007 sec
 302 Waiting for     0.0389 sec
 303 Waiting for     0.0388 sec
 304 Waiting for     0.0940 sec
 305 #OVERLAP evdw > 1d10   1.00000E+20
 306  #OVERLAPing residues             2
 307   15  26
 308  #OVERLAPing all corrected after             1  random generation
 309 #OVERLAP evdw after   2.41050E+09
 310 Waiting for     0.0007 sec
 311 #OVERLAP evdw > 1d10   1.00000E+20
 312  #OVERLAPing residues             2
 313    4  26
 314  #OVERLAPing all corrected after             1  random generation
 315 #OVERLAP evdw after   1.98601E+04
 316 Waiting for     0.0390 sec
 317 Waiting for     0.0387 sec
 318 #OVERLAP evdw > 1d10   1.00000E+20
 319  #OVERLAPing residues             2
 320    9  23
 321  #OVERLAPing all corrected after             1  random generation
 322 #OVERLAP evdw after   1.82477E+07
 323 Waiting for     0.0385 sec
 324 Waiting for     0.0384 sec
 325 Waiting for     0.0393 sec
 326 #OVERLAP evdw > 1d10   1.00000E+20
 327  #OVERLAPing residues             5
 328    9  25  27  17  19
 329  #OVERLAPing all corrected after             1  random generation
 330 #OVERLAP evdw after   1.85821E+17
 331 Waiting for     0.0384 sec
 332 Waiting for     0.4663 sec
 333 #OVERLAP evdw > 1d10   1.00000E+20
 334  #OVERLAPing residues             2
 335    7  26
 336  #OVERLAPing all corrected after             1  random generation
 337 #OVERLAP evdw after   9.47221E+06
 338 Waiting for     0.0006 sec
 339 Waiting for     0.0394 sec
 340 #OVERLAP evdw > 1d10   1.00000E+20
 341  #OVERLAPing residues             2
 342    8  19
 343  #OVERLAPing all corrected after             2  random generation
 344 #OVERLAP evdw after   4.70861E+20
 345 Waiting for     0.0378 sec
 346 Waiting for     0.0395 sec
 347 #OVERLAP evdw > 1d10   1.00000E+20
 348  #OVERLAPing residues             2
 349    7  27
 350  #OVERLAPing all corrected after             1  random generation
 351 #OVERLAP evdw after   3.48148E+12
 352 Waiting for     0.0396 sec
 353 Waiting for     0.0004 sec
 354 Waiting for     0.0383 sec
 355 Waiting for     0.0397 sec
 356 Waiting for     0.0693 sec
 357 Waiting for     0.0388 sec
 358 Waiting for     0.0383 sec
 359 Waiting for     1.4471 sec
 360 Waiting for     0.0007 sec
 361 Waiting for     0.0006 sec
 362 Waiting for     0.0396 sec
 363 Waiting for     0.0392 sec
 364 Waiting for     0.0387 sec
 365 Waiting for     0.0396 sec
 366 Waiting for     0.0378 sec
 367 Waiting for     0.0383 sec
 368 Waiting for     0.0382 sec
 369 Waiting for     0.0397 sec
 370 Waiting for     0.0008 sec
 371 Waiting for     0.0379 sec
 372 Waiting for     0.0389 sec
 373 Waiting for     0.0393 sec
 374 Waiting for     0.0389 sec
 375 Waiting for     0.0395 sec
 376 Waiting for     0.0396 sec
 377 Waiting for     0.0463 sec
 378 Waiting for     0.0008 sec
 379 #OVERLAP evdw > 1d10   1.00000E+20
 380  #OVERLAPing residues             2
 381    5  25
 382  #OVERLAPing all corrected after             6  random generation
 383 #OVERLAP evdw after   3.96275E+17
 384 Waiting for     0.0510 sec
 385 Waiting for     0.0381 sec
 386 Waiting for     1.2261 sec
 387 Waiting for     0.0006 sec
 388 Waiting for     0.0398 sec
 389 Waiting for     0.0397 sec
 390 Waiting for     0.0382 sec
 391 Waiting for     0.0022 sec
 392 Waiting for     1.4205 sec
 393 Waiting for     0.0005 sec
 394 Waiting for     0.1022 sec
 395 #OVERLAP evdw > 1d10   1.00000E+20
 396  #OVERLAPing residues             2
 397    7  16
 398  #OVERLAPing all corrected after             1  random generation
 399 #OVERLAP evdw after   1.70676E+13
 400 Waiting for     0.0004 sec
 401 Waiting for     0.0616 sec
 402 Waiting for     0.0389 sec
 403 Waiting for     0.0380 sec
 404 Waiting for     0.0382 sec
 405 Waiting for     0.0110 sec
 406 Waiting for     0.0380 sec
 407 Waiting for     0.0382 sec
 408 Waiting for     0.0398 sec
 409 Waiting for     0.0473 sec
 410 #OVERLAP evdw > 1d10   1.00000E+20
 411  #OVERLAPing residues             2
 412    9  22
 413  #OVERLAPing all corrected after             1  random generation
 414 #OVERLAP evdw after   1.20151E+10
 415 Waiting for     0.0390 sec
 416 Waiting for     0.8931 sec
 417 Waiting for     0.0488 sec
 418 Waiting for     0.0007 sec
 419 Waiting for     0.0385 sec
 420 #OVERLAP evdw > 1d10   1.00000E+20
 421  #OVERLAPing residues             2
 422    4  29
 423  #OVERLAPing all corrected after             1  random generation
 424 #OVERLAP evdw after   1.29907E+11
 425 Waiting for     0.0380 sec
 426 #OVERLAP evdw > 1d10   1.00000E+20
 427  #OVERLAPing residues             2
 428    4  20
 429  #OVERLAPing all corrected after             2  random generation
 430 #OVERLAP evdw after   1.42698E+25
 431 Waiting for     0.0384 sec
 432 Waiting for     1.8131 sec
 433 Waiting for     0.0007 sec
 434 Waiting for     0.0392 sec
 435 #OVERLAP evdw > 1d10   1.00000E+20
 436  #OVERLAPing residues             2
 437    5  26
 438  #OVERLAPing all corrected after             1  random generation
 439 #OVERLAP evdw after   1.07967E+08
 440 Waiting for     0.0381 sec
 441 Waiting for     0.0007 sec
 442 #OVERLAP evdw > 1d10   1.00000E+20
 443  #OVERLAPing residues             2
 444    5  17
 445  #OVERLAPing all corrected after             1  random generation
 446 #OVERLAP evdw after   1.58617E+33
 447 Waiting for     0.0388 sec
 448 Waiting for     0.0394 sec
 449 Waiting for     0.0727 sec
 450 Waiting for     0.0731 sec
 451 #OVERLAP evdw > 1d10   1.00000E+20
 452  #OVERLAPing residues             5
 453    7  25   8   9  24
 454  #OVERLAPing all corrected after           710  random generation
 455 #OVERLAP evdw after   7.41321E+13
 456 Waiting for     0.0380 sec
 457 Waiting for     0.0382 sec
 458 Waiting for     1.1846 sec
 459 #OVERLAP evdw > 1d10   1.00000E+20
 460  #OVERLAPing residues             7
 461    5  25  11  27  12  22  13
 462  #OVERLAPing all corrected after            10  random generation
 463 #OVERLAP evdw after   5.15452E+16
 464 Waiting for     0.0004 sec
 465 #OVERLAP evdw > 1d10   1.00000E+20
 466  #OVERLAPing residues             2
 467   11  19
 468  #OVERLAPing all corrected after             2  random generation
 469 #OVERLAP evdw after   2.68396E+08
 470 Waiting for     0.0387 sec
 471 #OVERLAP evdw > 1d10   1.00000E+20
 472  #OVERLAPing residues             2
 473    8  14
 474  #OVERLAPing all corrected after             1  random generation
 475 #OVERLAP evdw after   1.26432E+29
 476 Waiting for     0.0385 sec
 477 Waiting for     0.0396 sec
 478 Waiting for     0.0395 sec
 479 Waiting for     0.0392 sec
 480 Waiting for     0.0385 sec
 481 #OVERLAP evdw > 1d10   1.00000E+20
 482  #OVERLAPing residues             2
 483    4  17
 484  #OVERLAPing all corrected after             1  random generation
 485 #OVERLAP evdw after   6.04604E+05
 486 Waiting for     0.0403 sec
 487 #OVERLAP evdw > 1d10   1.00000E+20
 488  #OVERLAPing residues             2
 489    9  20
 490  #OVERLAPing all corrected after             1  random generation
 491 #OVERLAP evdw after   3.94086E+07
 492 Waiting for     0.0386 sec
 493 Waiting for     0.0007 sec
 494 #OVERLAP evdw > 1d10   1.00000E+20
 495  #OVERLAPing residues             5
 496   10  27  14  20  22
 497  #OVERLAPing all corrected after             3  random generation
 498 #OVERLAP evdw after   3.78518E+08
 499 Waiting for     0.0384 sec
 500 Waiting for     0.0384 sec
 501 #OVERLAP evdw > 1d10   1.00000E+20
 502  #OVERLAPing residues             6
 503   10  20  11  21  13  22
 504  #OVERLAPing all corrected after             3  random generation
 505 #OVERLAP evdw after   2.70691E+11
 506 Waiting for     0.0387 sec
 507 #OVERLAP evdw > 1d10   1.00000E+20
 508  #OVERLAPing residues             2
 509    9  21
 510  #OVERLAPing all corrected after             1  random generation
 511 #OVERLAP evdw after   2.16148E+08
 512 Waiting for     0.0603 sec
 513 Waiting for     0.0392 sec
 514 Waiting for     0.0379 sec
 515 Waiting for     0.0391 sec
 516 Waiting for     0.0171 sec
 517 Waiting for     0.0383 sec
 518 Waiting for     0.0737 sec
 519 Waiting for     0.0383 sec
 520 Waiting for     0.0379 sec
 521 Waiting for     0.0388 sec
 522 Waiting for     0.0737 sec
 523 Waiting for     0.0393 sec
 524 Waiting for     0.0382 sec
 525 Waiting for     0.0380 sec
 526 Waiting for     0.0669 sec
 527 Waiting for     0.0394 sec
 528 Waiting for     0.0382 sec
 529 Waiting for     0.0401 sec
 530 #OVERLAP evdw > 1d10   1.00000E+20
 531  #OVERLAPing residues             2
 532   17  26
 533  #OVERLAPing all corrected after             1  random generation
 534 #OVERLAP evdw after   1.10849E+06
 535 Waiting for     0.0396 sec
 536 Waiting for     0.0386 sec
 537 #OVERLAP evdw > 1d10   1.00000E+20
 538  #OVERLAPing residues             3
 539    6  27   7
 540  #OVERLAPing NOT all corrected             2
 541    6  27
 542 #OVERLAP evdw after   1.00000E+20
 543 Waiting for     0.0391 sec
 544 Waiting for     0.0007 sec
 545 Waiting for     0.0388 sec
 546 Waiting for     0.0381 sec
 547 #OVERLAP evdw > 1d10   1.00000E+20
 548  #OVERLAPing residues             2
 549   18  23
 550  #OVERLAPing all corrected after             1  random generation
 551 #OVERLAP evdw after   1.27499E+03
 552 Waiting for     0.9751 sec
 553 Waiting for     0.0004 sec
 554 Waiting for     0.0382 sec
 555 Waiting for     0.0384 sec
 556 Waiting for     0.0396 sec
 557 Waiting for     0.0007 sec
 558 Waiting for     0.0395 sec
 559 Waiting for     0.0382 sec
 560 #OVERLAP evdw > 1d10   1.00000E+20
 561  #OVERLAPing residues             2
 562    4  14
 563  #OVERLAPing all corrected after             1  random generation
 564 #OVERLAP evdw after   9.95964E+09
 565 Waiting for     0.0397 sec
 566 Waiting for     0.0393 sec
 567 Waiting for     0.0485 sec
 568 #OVERLAP evdw > 1d10   1.00000E+20
 569  #OVERLAPing residues             2
 570    9  27
 571  #OVERLAPing all corrected after             1  random generation
 572 #OVERLAP evdw after   3.62906E+06
 573 Waiting for     0.0387 sec
 574 #OVERLAP evdw > 1d10   1.00000E+20
 575  #OVERLAPing residues             4
 576    6  17   7  16
 577  #OVERLAPing NOT all corrected             2
 578    6  17
 579 #OVERLAP evdw after   1.00000E+20
 580 Waiting for     0.0394 sec
 581 Waiting for     0.0381 sec
 582 Waiting for     0.0394 sec
 583 Waiting for     0.0396 sec
 584 Waiting for     0.0392 sec
 585 Waiting for     0.0393 sec
 586 Waiting for     0.0545 sec
 587 Waiting for     0.0479 sec
 588 Waiting for     0.0386 sec
 589 #OVERLAP evdw > 1d10   1.00000E+20
 590  #OVERLAPing residues             6
 591    2  23   6  27   7  28
 592  #OVERLAPing NOT all corrected             4
 593    6  27   7  28
 594 #OVERLAP evdw after   1.00000E+20
 595 Waiting for     0.0386 sec
 596 Waiting for     0.0279 sec
 597 #OVERLAP evdw > 1d10   1.00000E+20
 598  #OVERLAPing residues             2
 599    2  22
 600  #OVERLAPing all corrected after             4  random generation
 601 #OVERLAP evdw after   3.47508E+08
 602 Waiting for     0.0381 sec
 603 Waiting for     0.0389 sec
 604 Waiting for     0.0390 sec
 605 Waiting for     0.0387 sec
 606 Waiting for     0.0397 sec
 607 #OVERLAP evdw > 1d10   1.00000E+20
 608  #OVERLAPing residues             4
 609    8  23   9  26
 610  #OVERLAPing all corrected after             2  random generation
 611 #OVERLAP evdw after   1.16890E+10
 612 Waiting for     0.0390 sec
 613 Waiting for     0.0493 sec
 614 Waiting for     0.0007 sec
 615 Waiting for     0.0383 sec
 616 Waiting for     0.0389 sec
 617 #OVERLAP evdw > 1d10   1.14030E+29
 618  #OVERLAPing residues             0
 619
 620  #OVERLAPing all corrected after             1  random generation
 621 #OVERLAP evdw after   1.14030E+29
 622 Waiting for     0.0714 sec
 623 Waiting for     0.0390 sec
 624 #OVERLAP evdw > 1d10   1.00000E+20
 625  #OVERLAPing residues             2
 626    4  16
 627  #OVERLAPing all corrected after             1  random generation
 628 #OVERLAP evdw after   9.28518E+11
 629 Waiting for     0.0387 sec
 630 Waiting for     0.0397 sec
 631 Waiting for     0.0393 sec
 632 #OVERLAP evdw > 1d10   1.00000E+20
 633  #OVERLAPing residues             2
 634    4  23
 635  #OVERLAPing all corrected after             1  random generation
 636 #OVERLAP evdw after   1.52269E+08
 637 Waiting for     0.0384 sec
 638 Waiting for     0.0386 sec
 639 Waiting for     0.0394 sec
 640 Waiting for     0.0381 sec
 641 #OVERLAP evdw > 1d10   9.70642E+23
 642  #OVERLAPing residues             0
 643
 644  #OVERLAPing all corrected after             1  random generation
 645 #OVERLAP evdw after   9.70642E+23
 646 Waiting for     0.0395 sec
 647 #OVERLAP evdw > 1d10   1.00000E+20
 648  #OVERLAPing residues             2
 649    8  27
 650  #OVERLAPing all corrected after             1  random generation
 651 #OVERLAP evdw after   1.39531E+07
 652 Waiting for     0.0392 sec
 653 #OVERLAP evdw > 1d10   4.07292E+30
 654  #OVERLAPing residues             0
 655
 656  #OVERLAPing all corrected after             1  random generation
 657 #OVERLAP evdw after   4.07292E+30
 658 Waiting for     0.0394 sec
 659 Waiting for     0.0389 sec
 660 #OVERLAP evdw > 1d10   1.00000E+20
 661  #OVERLAPing residues             2
 662    2  18
 663  #OVERLAPing all corrected after             1  random generation
 664 #OVERLAP evdw after   6.31589E+05
 665 Waiting for     1.2893 sec
 666 Waiting for     0.0006 sec
 667 #OVERLAP evdw > 1d10   1.00000E+20
 668  #OVERLAPing residues             4
 669   11  27  13  29
 670  #OVERLAPing all corrected after             5  random generation
 671 #OVERLAP evdw after   1.02981E+17
 672 Waiting for     0.0386 sec
 673 #OVERLAP evdw > 1d10   1.00000E+20
 674  #OVERLAPing residues             4
 675    5  25   9  26
 676  #OVERLAPing all corrected after             2  random generation
 677 #OVERLAP evdw after   4.79927E+12
 678 Waiting for     0.0397 sec
 679 Waiting for     0.0394 sec
 680 Waiting for     0.0391 sec
 681 #OVERLAP evdw > 1d10   1.00000E+20
 682  #OVERLAPing residues             2
 683    4  17
 684  #OVERLAPing all corrected after             1  random generation
 685 #OVERLAP evdw after   9.87241E+13
 686 Waiting for     0.0381 sec
 687 Waiting for     0.0396 sec
 688 #OVERLAP evdw > 1d10   1.00000E+20
 689  #OVERLAPing residues             2
 690    9  25
 691  #OVERLAPing all corrected after             3  random generation
 692 #OVERLAP evdw after   1.16518E+10
 693 Waiting for     0.0595 sec
 694 Waiting for     0.7160 sec
 695 Waiting for     0.0007 sec
 696 Waiting for     0.0603 sec
 697 #OVERLAP evdw > 1d10   1.00000E+20
 698  #OVERLAPing residues             2
 699    2   9
 700  #OVERLAPing all corrected after             1  random generation
 701 #OVERLAP evdw after  -1.32343E+01
 702 Waiting for     0.0387 sec
 703 Waiting for     1.5063 sec
 704 #OVERLAP evdw > 1d10   1.00000E+20
 705  #OVERLAPing residues             2
 706    8  29
 707  #OVERLAPing all corrected after             1  random generation
 708 #OVERLAP evdw after   1.25225E+08
 709 Waiting for     0.0004 sec
 710 Waiting for     0.0390 sec
 711 Waiting for     0.0384 sec
 712 Waiting for     0.0392 sec
 713 Waiting for     0.0113 sec
 714 Waiting for     1.5696 sec
 715 Waiting for     0.0006 sec
 716 Waiting for     0.0394 sec
 717 Waiting for     0.0391 sec
 718 Waiting for     0.0395 sec
 719 Waiting for     0.0392 sec
 720 Waiting for     0.0396 sec
 721 Waiting for     0.0128 sec
 722 Waiting for     0.0391 sec
 723 Waiting for     0.0386 sec
 724 Waiting for     0.0395 sec
 725 Waiting for     0.0390 sec
 726 Waiting for     0.0395 sec
 727 Waiting for     0.0390 sec
 728 #OVERLAP evdw > 1d10   1.00000E+20
 729  #OVERLAPing residues             2
 730    3  21
 731  #OVERLAPing all corrected after             1  random generation
 732 #OVERLAP evdw after   1.31789E+08
 733 Waiting for     0.0403 sec
 734 #OVERLAP evdw > 1d10   1.00000E+20
 735  #OVERLAPing residues             2
 736    2  17
 737  #OVERLAPing all corrected after             1  random generation
 738 #OVERLAP evdw after   1.33571E+08
 739 Waiting for     1.2305 sec
 740 #OVERLAP evdw > 1d10   1.00000E+20
 741  #OVERLAPing residues             4
 742    4  26   8  24
 743  #OVERLAPing all corrected after             1  random generation
 744 #OVERLAP evdw after   1.43067E+08
 745 Waiting for     0.0386 sec
 746 Waiting for     0.0388 sec
 747 #OVERLAP evdw > 1d10   1.00000E+20
 748  #OVERLAPing residues             4
 749    6  27   7  28
 750  #OVERLAPing NOT all corrected             4
 751    6  27   7  28
 752 #OVERLAP evdw after   1.00000E+20
 753 Waiting for     0.0393 sec
 754 Waiting for     0.0380 sec
 755 Waiting for     0.0380 sec
 756 Waiting for     0.0395 sec
 757 Waiting for     0.0386 sec
 758 Waiting for     0.0386 sec
 759 Waiting for     0.0452 sec
 760 Waiting for     0.0685 sec
 761 Waiting for     0.0503 sec
 762 Waiting for     0.0384 sec
 763 #OVERLAP evdw > 1d10   1.00000E+20
 764  #OVERLAPing residues             2
 765   17  23
 766  #OVERLAPing all corrected after            54  random generation
 767 #OVERLAP evdw after   1.45877E+06
 768 Waiting for     0.0388 sec
 769 #OVERLAP evdw > 1d10   1.00000E+20
 770  #OVERLAPing residues             2
 771   19  23
 772  #OVERLAPing all corrected after             1  random generation
 773 #OVERLAP evdw after   1.09820E+18
 774 Waiting for     0.0389 sec
 775 #OVERLAP evdw > 1d10   1.00000E+20
 776  #OVERLAPing residues             2
 777    7  16
 778  #OVERLAPing all corrected after             1  random generation
 779 #OVERLAP evdw after   2.59992E+09
 780 Waiting for     0.0397 sec
 781 #OVERLAP evdw > 1d10   1.00000E+20
 782  #OVERLAPing residues             4
 783   14  25  16  23
 784  #OVERLAPing all corrected after             1  random generation
 785 #OVERLAP evdw after   1.19277E+05
 786 Waiting for     0.0390 sec
 787 Waiting for     0.3562 sec
 788 Waiting for     0.0007 sec
 789 Waiting for     0.0392 sec
 790 Waiting for     0.0389 sec
 791 Waiting for     0.0386 sec
 792 #OVERLAP evdw > 1d10   1.00000E+20
 793  #OVERLAPing residues             2
 794   11  14
 795  #OVERLAPing all corrected after             1  random generation
 796 #OVERLAP evdw after   2.24163E+17
 797 Waiting for     0.0380 sec
 798 Waiting for     0.0397 sec
 799 Waiting for     0.0398 sec
 800 #OVERLAP evdw > 1d10   1.00000E+20
 801  #OVERLAPing residues             4
 802    7  12  22  25
 803  #OVERLAPing all corrected after             2  random generation
 804 #OVERLAP evdw after   3.58540E+10
 805 Waiting for     0.0094 sec
 806 Waiting for     0.0386 sec
 807 #OVERLAP evdw > 1d10   1.00000E+20
 808  #OVERLAPing residues             2
 809    6  27
 810  #OVERLAPing all corrected after             1  random generation
 811 #OVERLAP evdw after   6.76664E+17
 812 Waiting for     0.0399 sec
 813 Waiting for     0.0386 sec
 814 Waiting for     0.0379 sec
 815 Waiting for     0.0388 sec
 816 Waiting for     0.0390 sec
 817 Waiting for     0.7390 sec
 818 Waiting for     0.0877 sec
 819 Waiting for     0.0389 sec
 820 #OVERLAP evdw > 1d10   1.00000E+20
 821  #OVERLAPing residues             2
 822   18  20
 823  #OVERLAPing all corrected after             1  random generation
 824 #OVERLAP evdw after   6.40283E+14
 825 Waiting for     0.0391 sec
 826 Waiting for     0.0380 sec
 827 Waiting for     0.0384 sec
 828 Waiting for     0.0391 sec
 829 Waiting for     0.0468 sec
 830 #OVERLAP evdw > 1d10   1.00000E+20
 831  #OVERLAPing residues             4
 832    4  24   5  17
 833  #OVERLAPing all corrected after             1  random generation
 834 #OVERLAP evdw after   4.76005E+06
 835 Waiting for     0.0383 sec
 836 #OVERLAP evdw > 1d10   1.00000E+20
 837  #OVERLAPing residues             2
 838   10  29
 839  #OVERLAPing NOT all corrected             2
 840   10  29
 841 #OVERLAP evdw after   1.00000E+20
 842 Waiting for     0.0394 sec
 843 Waiting for     0.0372 sec
 844 Waiting for     0.0385 sec
 845 #OVERLAP evdw > 1d10   1.00000E+20
 846  #OVERLAPing residues             4
 847    4  26  12  23
 848  #OVERLAPing all corrected after             2  random generation
 849 #OVERLAP evdw after   3.09603E+09
 850 Waiting for     0.0396 sec
 851 #OVERLAP evdw > 1d10   1.00000E+20
 852  #OVERLAPing residues             4
 853    7  22  13  24
 854  #OVERLAPing all corrected after             2  random generation
 855 #OVERLAP evdw after   1.77946E+11
 856 Waiting for     0.0382 sec
 857 #OVERLAP evdw > 1d10   1.00000E+20
 858  #OVERLAPing residues             3
 859    2  25  17
 860  #OVERLAPing all corrected after            18  random generation
 861 #OVERLAP evdw after   2.45819E+25
 862 Waiting for     0.0624 sec
 863 Waiting for     0.0391 sec
 864 Waiting for     0.0379 sec
 865 #OVERLAP evdw > 1d10   1.00000E+20
 866  #OVERLAPing residues             2
 867    8  22
 868  #OVERLAPing all corrected after             1  random generation
 869 #OVERLAP evdw after   2.34301E+03
 870 Waiting for     0.0387 sec
 871 Waiting for     0.0007 sec
 872 Waiting for     0.0396 sec
 873 #OVERLAP evdw > 1d10   1.00000E+20
 874  #OVERLAPing residues             2
 875   13  19
 876  #OVERLAPing all corrected after             1  random generation
 877 #OVERLAP evdw after   5.20112E+03
 878 Waiting for     0.0396 sec
 879 #OVERLAP evdw > 1d10   1.00000E+20
 880  #OVERLAPing residues             2
 881   24  27
 882  #OVERLAPing all corrected after             1  random generation
 883 #OVERLAP evdw after   9.07875E+13
 884 Waiting for     0.0386 sec
 885 Waiting for     0.0377 sec
 886 Waiting for     0.0694 sec
 887 Waiting for     0.0523 sec
 888 #OVERLAP evdw > 1d10   1.00000E+20
 889  #OVERLAPing residues             2
 890    4  26
 891  #OVERLAPing all corrected after             3  random generation
 892 #OVERLAP evdw after   1.48811E+09
 893 Waiting for     0.0393 sec
 894 #OVERLAP evdw > 1d10   1.00000E+20
 895  #OVERLAPing residues             2
 896    4  21
 897  #OVERLAPing all corrected after             1  random generation
 898 #OVERLAP evdw after   3.03896E+05
 899 Waiting for     0.0390 sec
 900 Waiting for     0.0379 sec
 901 Waiting for     0.0396 sec
 902 Waiting for     0.0386 sec
 903 Waiting for     0.0392 sec
 904 Waiting for     0.0386 sec
 905 #OVERLAP evdw > 1d10   1.00000E+20
 906  #OVERLAPing residues             2
 907    3  14
 908  #OVERLAPing all corrected after             1  random generation
 909 #OVERLAP evdw after   5.88986E+04
 910 Waiting for     0.0387 sec
 911 Waiting for     0.0754 sec
 912 #OVERLAP evdw > 1d10   1.00000E+20
 913  #OVERLAPing residues             2
 914    7  22
 915  #OVERLAPing all corrected after             1  random generation
 916 #OVERLAP evdw after   6.43051E+17
 917 Waiting for     0.0384 sec
 918 #OVERLAP evdw > 1d10   1.00000E+20
 919  #OVERLAPing residues             5
 920    4  25   9  27  29
 921  #OVERLAPing all corrected after             2  random generation
 922 #OVERLAP evdw after   2.84174E+19
 923 Waiting for     0.0386 sec
 924 #OVERLAP evdw > 1d10   5.10412E+29
 925  #OVERLAPing residues             0
 926
 927  #OVERLAPing all corrected after             1  random generation
 928 #OVERLAP evdw after   5.10412E+29
 929 Waiting for     0.0649 sec
 930 Waiting for     0.0615 sec
 931 Waiting for     0.0528 sec
 932 Waiting for     0.0396 sec
 933 #OVERLAP evdw > 1d10   1.00000E+20
 934  #OVERLAPing residues             2
 935    9  23
 936  #OVERLAPing all corrected after             1  random generation
 937 #OVERLAP evdw after   4.82002E+10
 938 Waiting for     0.0396 sec
 939 Waiting for     0.0868 sec
 940 Waiting for     0.0008 sec
 941 Waiting for     0.0006 sec
 942 Waiting for     1.9911 sec
 943  End of minim, proc           29 time     3397.834604000000
 944 Processor  29 is finishing work.
 945  Total time    3435.701978000000       sec