examples/unres/CSA/CASP5/CSA/run1/output/1fsd_CASP5.out_GB030

   1 --------------------------------------------------------------------------------
   2                               FILE ASSIGNMENT
   3 --------------------------------------------------------------------------------
   4  Input file                      : 1fsd_CASP5.inp
   5  Output file                     : 1fsd_CASP5.out_GB030
   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=            30  iseed(4)=             0            0          -21
  47        -14558
  48  ran_num   0.3971347212791443
  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     1.3269 sec
 146 Waiting for     0.0093 sec
 147 Waiting for     0.0393 sec
 148 Waiting for     1.2171 sec
 149 Waiting for     0.0390 sec
 150 #OVERLAP evdw > 1d10   1.00000E+20
 151  #OVERLAPing residues             2
 152    9  26
 153  #OVERLAPing all corrected after             1  random generation
 154 #OVERLAP evdw after   1.55505E+11
 155 Waiting for     0.0380 sec
 156 Waiting for     0.0392 sec
 157 #OVERLAP evdw > 1d10   1.00000E+20
 158  #OVERLAPing residues             2
 159   20  27
 160  #OVERLAPing all corrected after             2  random generation
 161 #OVERLAP evdw after   1.44136E+03
 162 Waiting for     0.0725 sec
 163 Waiting for     0.0385 sec
 164 Waiting for     0.0396 sec
 165 #OVERLAP evdw > 1d10   1.00000E+20
 166  #OVERLAPing residues             2
 167    9  24
 168  #OVERLAPing all corrected after             1  random generation
 169 #OVERLAP evdw after   4.29691E+13
 170 Waiting for     0.0103 sec
 171 Waiting for     0.0393 sec
 172 #OVERLAP evdw > 1d10   1.00000E+20
 173  #OVERLAPing residues             2
 174   12  23
 175  #OVERLAPing all corrected after             8  random generation
 176 #OVERLAP evdw after   2.25279E+17
 177 Waiting for     0.0487 sec
 178 Waiting for     0.0006 sec
 179 Waiting for     0.0391 sec
 180 Waiting for     0.0905 sec
 181 Waiting for     0.0006 sec
 182 Waiting for     0.0396 sec
 183 Waiting for     0.0392 sec
 184 Waiting for     0.0007 sec
 185 #OVERLAP evdw > 1d10   1.00000E+20
 186  #OVERLAPing residues             4
 187    9  23  17  25
 188  #OVERLAPing all corrected after             6  random generation
 189 #OVERLAP evdw after   1.07824E+16
 190 Waiting for     0.0381 sec
 191 Waiting for     0.0379 sec
 192 Waiting for     0.0380 sec
 193 Waiting for     1.3937 sec
 194 Waiting for     0.0146 sec
 195 Waiting for     0.0381 sec
 196 Waiting for     0.0385 sec
 197 #OVERLAP evdw > 1d10   1.00000E+20
 198  #OVERLAPing residues             2
 199   15  25
 200  #OVERLAPing all corrected after             1  random generation
 201 #OVERLAP evdw after   1.41059E+09
 202 Waiting for     0.0006 sec
 203 Waiting for     0.0390 sec
 204 Waiting for     0.0380 sec
 205 Waiting for     0.0392 sec
 206 #OVERLAP evdw > 1d10   1.00000E+20
 207  #OVERLAPing residues             2
 208    4  22
 209  #OVERLAPing all corrected after             1  random generation
 210 #OVERLAP evdw after   1.95765E+06
 211 Waiting for     0.0390 sec
 212 #OVERLAP evdw > 1d10   1.00000E+20
 213  #OVERLAPing residues             2
 214   10  26
 215  #OVERLAPing all corrected after             2  random generation
 216 #OVERLAP evdw after   1.30329E+21
 217 Waiting for     0.0380 sec
 218 Waiting for     0.0435 sec
 219 #OVERLAP evdw > 1d10   1.00000E+20
 220  #OVERLAPing residues             2
 221   23  26
 222  #OVERLAPing all corrected after            17  random generation
 223 #OVERLAP evdw after   6.34971E+27
 224 Waiting for     0.0390 sec
 225 Waiting for     0.0577 sec
 226 Waiting for     0.0390 sec
 227 Waiting for     0.0506 sec
 228 #OVERLAP evdw > 1d10   1.00000E+20
 229  #OVERLAPing residues             2
 230    4  27
 231  #OVERLAPing all corrected after             1  random generation
 232 #OVERLAP evdw after   1.01435E+09
 233 Waiting for     0.0391 sec
 234 #OVERLAP evdw > 1d10   1.00000E+20
 235  #OVERLAPing residues             2
 236   22  27
 237  #OVERLAPing all corrected after             1  random generation
 238 #OVERLAP evdw after   2.11311E+02
 239 Waiting for     0.0387 sec
 240 Waiting for     0.0387 sec
 241 Waiting for     0.0386 sec
 242 Waiting for     0.0385 sec
 243 #OVERLAP evdw > 1d10   1.00000E+20
 244  #OVERLAPing residues             2
 245    9  16
 246  #OVERLAPing all corrected after             1  random generation
 247 #OVERLAP evdw after   4.64777E+08
 248 Waiting for     0.0388 sec
 249 Waiting for     0.0387 sec
 250 Waiting for     0.0386 sec
 251 Waiting for     0.3037 sec
 252 Waiting for     0.0005 sec
 253 Waiting for     0.0595 sec
 254 Waiting for     0.0389 sec
 255 Waiting for     0.0379 sec
 256 Waiting for     0.0395 sec
 257 Waiting for     0.0004 sec
 258 Waiting for     0.0379 sec
 259 Waiting for     0.0392 sec
 260 Waiting for     0.0577 sec
 261 #OVERLAP evdw > 1d10   1.00000E+20
 262  #OVERLAPing residues             2
 263    9  22
 264  #OVERLAPing all corrected after            14  random generation
 265 #OVERLAP evdw after   8.72358E+17
 266 Waiting for     0.0384 sec
 267 #OVERLAP evdw > 1d10   1.00000E+20
 268  #OVERLAPing residues             2
 269   14  26
 270  #OVERLAPing all corrected after             1  random generation
 271 #OVERLAP evdw after   3.28450E+08
 272 Waiting for     0.0489 sec
 273 Waiting for     0.0388 sec
 274 #OVERLAP evdw > 1d10   1.00000E+20
 275  #OVERLAPing residues             2
 276    9  17
 277  #OVERLAPing all corrected after             1  random generation
 278 #OVERLAP evdw after   3.14516E+21
 279 Waiting for     0.0389 sec
 280 #OVERLAP evdw > 1d10   1.00000E+20
 281  #OVERLAPing residues             9
 282    6  20   7  16  25  17  23  18  22
 283  #OVERLAPing all corrected after           676  random generation
 284 #OVERLAP evdw after   1.99687E+35
 285 Waiting for     0.0007 sec
 286 #OVERLAP evdw > 1d10   1.00000E+20
 287  #OVERLAPing residues             2
 288    8  25
 289  #OVERLAPing all corrected after             1  random generation
 290 #OVERLAP evdw after   4.33248E+08
 291 Waiting for     0.0384 sec
 292 #OVERLAP evdw > 1d10   9.46120E+25
 293  #OVERLAPing residues             0
 294
 295  #OVERLAPing all corrected after             1  random generation
 296 #OVERLAP evdw after   9.46120E+25
 297 Waiting for     0.0377 sec
 298 Waiting for     0.0384 sec
 299 Waiting for     0.0383 sec
 300 Waiting for     0.0396 sec
 301 #OVERLAP evdw > 1d10   1.00000E+20
 302  #OVERLAPing residues             2
 303    3  29
 304  #OVERLAPing all corrected after             1  random generation
 305 #OVERLAP evdw after   7.64413E+07
 306 Waiting for     0.0666 sec
 307 #OVERLAP evdw > 1d10   1.00000E+20
 308  #OVERLAPing residues             4
 309    7  25  11  23
 310  #OVERLAPing all corrected after             3  random generation
 311 #OVERLAP evdw after   5.22653E+22
 312 Waiting for     0.0380 sec
 313 #OVERLAP evdw > 1d10   9.94725E+20
 314  #OVERLAPing residues             0
 315
 316  #OVERLAPing all corrected after             1  random generation
 317 #OVERLAP evdw after   9.94725E+20
 318 Waiting for     0.0111 sec
 319 #OVERLAP evdw > 1d10   1.00000E+20
 320  #OVERLAPing residues             2
 321    5  21
 322  #OVERLAPing all corrected after             1  random generation
 323 #OVERLAP evdw after   9.69501E+13
 324 Waiting for     0.0393 sec
 325 #OVERLAP evdw > 1d10   1.00000E+20
 326  #OVERLAPing residues             2
 327    9  26
 328  #OVERLAPing all corrected after             1  random generation
 329 #OVERLAP evdw after   1.14418E+26
 330 Waiting for     0.0410 sec
 331 Waiting for     0.0379 sec
 332 Waiting for     0.0405 sec
 333 Waiting for     0.0397 sec
 334 Waiting for     0.0511 sec
 335 Waiting for     0.0390 sec
 336 Waiting for     0.0575 sec
 337 #OVERLAP evdw > 1d10   1.00000E+20
 338  #OVERLAPing residues             2
 339    3  25
 340  #OVERLAPing all corrected after             1  random generation
 341 #OVERLAP evdw after   1.85859E+25
 342 Waiting for     0.0007 sec
 343 Waiting for     0.0388 sec
 344 Waiting for     0.0391 sec
 345 Waiting for     0.0388 sec
 346 #OVERLAP evdw > 1d10   1.00000E+20
 347  #OVERLAPing residues             4
 348   12  25  13  19
 349  #OVERLAPing all corrected after             1  random generation
 350 #OVERLAP evdw after   2.12108E+19
 351 Waiting for     0.0389 sec
 352 Waiting for     0.0384 sec
 353 #OVERLAP evdw > 1d10   1.00000E+20
 354  #OVERLAPing residues             2
 355    7  17
 356  #OVERLAPing all corrected after             1  random generation
 357 #OVERLAP evdw after   4.28859E+04
 358 Waiting for     0.0385 sec
 359 #OVERLAP evdw > 1d10   1.00000E+20
 360  #OVERLAPing residues             2
 361   11  15
 362  #OVERLAPing all corrected after             1  random generation
 363 #OVERLAP evdw after   8.91804E+23
 364 Waiting for     0.0600 sec
 365 Waiting for     1.6423 sec
 366 #OVERLAP evdw > 1d10   1.00000E+20
 367  #OVERLAPing residues             2
 368    3  15
 369  #OVERLAPing all corrected after             1  random generation
 370 #OVERLAP evdw after   2.47859E+07
 371 Waiting for     0.0393 sec
 372 #OVERLAP evdw > 1d10   1.00000E+20
 373  #OVERLAPing residues             2
 374    4  27
 375  #OVERLAPing all corrected after             1  random generation
 376 #OVERLAP evdw after   7.53262E+07
 377 Waiting for     0.0585 sec
 378 Waiting for     0.0392 sec
 379 #OVERLAP evdw > 1d10   1.00000E+20
 380  #OVERLAPing residues             2
 381    7  27
 382  #OVERLAPing all corrected after             2  random generation
 383 #OVERLAP evdw after   3.31454E+03
 384 Waiting for     0.0388 sec
 385 Waiting for     0.0389 sec
 386 #OVERLAP evdw > 1d10   1.00000E+20
 387  #OVERLAPing residues             2
 388    9  25
 389  #OVERLAPing all corrected after           236  random generation
 390 #OVERLAP evdw after   1.35546E+18
 391 Waiting for     0.0384 sec
 392 Waiting for     0.0388 sec
 393 Waiting for     0.0378 sec
 394 #OVERLAP evdw > 1d10   1.00000E+20
 395  #OVERLAPing residues             2
 396    9  17
 397  #OVERLAPing all corrected after             1  random generation
 398 #OVERLAP evdw after   7.94458E+07
 399 Waiting for     0.0007 sec
 400 Waiting for     0.0385 sec
 401 Waiting for     0.0391 sec
 402 Waiting for     0.0662 sec
 403 #OVERLAP evdw > 1d10   1.00000E+20
 404  #OVERLAPing residues             2
 405    3  11
 406  #OVERLAPing all corrected after             1  random generation
 407 #OVERLAP evdw after   7.13070E+15
 408 Waiting for     0.0393 sec
 409 Waiting for     0.0394 sec
 410 Waiting for     0.0383 sec
 411 #OVERLAP evdw > 1d10   1.00000E+20
 412  #OVERLAPing residues             2
 413    4  26
 414  #OVERLAPing all corrected after             2  random generation
 415 #OVERLAP evdw after   1.32695E+10
 416 Waiting for     0.0392 sec
 417 Waiting for     0.0006 sec
 418 #OVERLAP evdw > 1d10   1.00000E+20
 419  #OVERLAPing residues             2
 420    3  25
 421  #OVERLAPing all corrected after             1  random generation
 422 #OVERLAP evdw after   3.73551E+03
 423 Waiting for     0.0734 sec
 424 Waiting for     0.0703 sec
 425 Waiting for     0.0394 sec
 426 Waiting for     0.0381 sec
 427 Waiting for     0.0396 sec
 428 Waiting for     0.0699 sec
 429 Waiting for     0.0715 sec
 430 Waiting for     0.0007 sec
 431 Waiting for     0.0390 sec
 432 Waiting for     0.0391 sec
 433 Waiting for     0.0388 sec
 434 Waiting for     0.0555 sec
 435 #OVERLAP evdw > 1d10   1.00000E+20
 436  #OVERLAPing residues             2
 437    9  15
 438  #OVERLAPing all corrected after             1  random generation
 439 #OVERLAP evdw after   7.49933E+11
 440 Waiting for     0.0659 sec
 441 #OVERLAP evdw > 1d10   1.00000E+20
 442  #OVERLAPing residues             2
 443    7   9
 444  #OVERLAPing all corrected after             1  random generation
 445 #OVERLAP evdw after   1.06785E+04
 446 Waiting for     0.0400 sec
 447 Waiting for     0.0389 sec
 448 Waiting for     0.0393 sec
 449 #OVERLAP evdw > 1d10   1.00000E+20
 450  #OVERLAPing residues             2
 451   11  25
 452  #OVERLAPing all corrected after             1  random generation
 453 #OVERLAP evdw after   5.44867E+07
 454 Waiting for     0.0384 sec
 455 Waiting for     0.1016 sec
 456 Waiting for     0.0009 sec
 457 Waiting for     0.0389 sec
 458 Waiting for     0.0390 sec
 459 Waiting for     0.0381 sec
 460 #OVERLAP evdw > 1d10   1.00000E+20
 461  #OVERLAPing residues             2
 462    8  27
 463  #OVERLAPing all corrected after             1  random generation
 464 #OVERLAP evdw after   6.16839E+02
 465 Waiting for     0.0947 sec
 466 Waiting for     0.0394 sec
 467 Waiting for     0.0007 sec
 468 Waiting for     0.0392 sec
 469 #OVERLAP evdw > 1d10   1.00000E+20
 470  #OVERLAPing residues             6
 471    5  22   7  23   9  26
 472  #OVERLAPing all corrected after             1  random generation
 473 #OVERLAP evdw after   1.27562E+11
 474 Waiting for     0.0386 sec
 475 Waiting for     0.0381 sec
 476 Waiting for     0.0395 sec
 477 Waiting for     0.0395 sec
 478 Waiting for     0.0699 sec
 479 Waiting for     0.0388 sec
 480 Waiting for     0.0007 sec
 481 #OVERLAP evdw > 1d10   1.00000E+20
 482  #OVERLAPing residues             2
 483   14  19
 484  #OVERLAPing all corrected after             1  random generation
 485 #OVERLAP evdw after   4.12886E+11
 486 Waiting for     0.0384 sec
 487 Waiting for     0.0380 sec
 488 Waiting for     0.0385 sec
 489 #OVERLAP evdw > 1d10   1.00000E+20
 490  #OVERLAPing residues             2
 491   12  26
 492  #OVERLAPing all corrected after             1  random generation
 493 #OVERLAP evdw after   2.92002E+09
 494 Waiting for     0.0379 sec
 495 Waiting for     0.0383 sec
 496 Waiting for     0.0383 sec
 497 Waiting for     0.0395 sec
 498 Waiting for     0.0386 sec
 499 Waiting for     0.0395 sec
 500 Waiting for     0.0383 sec
 501 Waiting for     0.0804 sec
 502 Waiting for     0.4377 sec
 503 Waiting for     0.0670 sec
 504 Waiting for     0.0007 sec
 505 Waiting for     0.0381 sec
 506 #OVERLAP evdw > 1d10   1.00000E+20
 507  #OVERLAPing residues             3
 508    6  25   7
 509  #OVERLAPing all corrected after             2  random generation
 510 #OVERLAP evdw after   4.02130E+09
 511 Waiting for     0.0394 sec
 512 Waiting for     0.0379 sec
 513 Waiting for     0.0379 sec
 514 Waiting for     0.0390 sec
 515 Waiting for     0.0380 sec
 516 Waiting for     0.8389 sec
 517 Waiting for     0.0090 sec
 518 Waiting for     0.0390 sec
 519 Waiting for     0.0392 sec
 520 Waiting for     0.0006 sec
 521 #OVERLAP evdw > 1d10   1.00000E+20
 522  #OVERLAPing residues             2
 523   14  22
 524  #OVERLAPing all corrected after             1  random generation
 525 #OVERLAP evdw after   2.62083E+05
 526 Waiting for     1.2994 sec
 527 Waiting for     0.0007 sec
 528 Waiting for     0.0383 sec
 529 Waiting for     0.0395 sec
 530 #OVERLAP evdw > 1d10   7.92087E+22
 531  #OVERLAPing residues             0
 532
 533  #OVERLAPing all corrected after             1  random generation
 534 #OVERLAP evdw after   7.92087E+22
 535 Waiting for     0.0379 sec
 536 Waiting for     0.0383 sec
 537 Waiting for     0.5610 sec
 538 Waiting for     0.0195 sec
 539 Waiting for     0.0394 sec
 540 Waiting for     0.0392 sec
 541 Waiting for     0.0394 sec
 542 Waiting for     0.0380 sec
 543 Waiting for     0.0393 sec
 544 #OVERLAP evdw > 1d10   1.00000E+20
 545  #OVERLAPing residues             2
 546    7  26
 547  #OVERLAPing all corrected after             7  random generation
 548 #OVERLAP evdw after   9.64394E+12
 549 Waiting for     0.0395 sec
 550 #OVERLAP evdw > 1d10   1.00000E+20
 551  #OVERLAPing residues             2
 552    3  25
 553  #OVERLAPing all corrected after             2  random generation
 554 #OVERLAP evdw after   1.54260E+10
 555 Waiting for     0.0392 sec
 556 #OVERLAP evdw > 1d10   1.00000E+20
 557  #OVERLAPing residues             2
 558   11  20
 559  #OVERLAPing all corrected after             1  random generation
 560 #OVERLAP evdw after   2.91873E+06
 561 Waiting for     0.0399 sec
 562 #OVERLAP evdw > 1d10   1.00000E+20
 563  #OVERLAPing residues             2
 564   20  25
 565  #OVERLAPing all corrected after             2  random generation
 566 #OVERLAP evdw after   3.25674E+15
 567 Waiting for     0.0007 sec
 568 #OVERLAP evdw > 1d10   1.00000E+20
 569  #OVERLAPing residues             2
 570    3  17
 571  #OVERLAPing all corrected after             1  random generation
 572 #OVERLAP evdw after   1.36950E+02
 573 Waiting for     0.0381 sec
 574 Waiting for     0.0386 sec
 575 Waiting for     0.0391 sec
 576 Waiting for     0.0388 sec
 577 Waiting for     0.0385 sec
 578 Waiting for     0.0379 sec
 579 Waiting for     0.0386 sec
 580 Waiting for     0.0007 sec
 581 #OVERLAP evdw > 1d10   1.00000E+20
 582  #OVERLAPing residues             4
 583    9  15  17  23
 584  #OVERLAPing all corrected after             1  random generation
 585 #OVERLAP evdw after   5.43310E+17
 586 Waiting for     0.0675 sec
 587 Waiting for     0.0388 sec
 588 #OVERLAP evdw > 1d10   1.00000E+20
 589  #OVERLAPing residues             6
 590    4  11   7  25   9  27
 591  #OVERLAPing all corrected after             1  random generation
 592 #OVERLAP evdw after   3.78196E+11
 593 Waiting for     0.0386 sec
 594 Waiting for     0.0400 sec
 595 Waiting for     0.0377 sec
 596 Waiting for     0.0387 sec
 597 Waiting for     0.0390 sec
 598 Waiting for     0.0386 sec
 599 #OVERLAP evdw > 1d10   1.00000E+20
 600  #OVERLAPing residues             2
 601    4  25
 602  #OVERLAPing all corrected after             1  random generation
 603 #OVERLAP evdw after   5.61015E+11
 604 Waiting for     0.0551 sec
 605 Waiting for     0.6529 sec
 606 Waiting for     0.0007 sec
 607 Waiting for     0.0382 sec
 608 #OVERLAP evdw > 1d10   1.73012E+21
 609  #OVERLAPing residues             0
 610
 611  #OVERLAPing all corrected after             1  random generation
 612 #OVERLAP evdw after   1.73012E+21
 613 Waiting for     0.0385 sec
 614 Waiting for     0.0383 sec
 615 #OVERLAP evdw > 1d10   1.00000E+20
 616  #OVERLAPing residues             4
 617    4  26   9  28
 618  #OVERLAPing all corrected after             1  random generation
 619 #OVERLAP evdw after   2.52307E+09
 620 Waiting for     0.0395 sec
 621 Waiting for     0.0381 sec
 622 Waiting for     0.0007 sec
 623 #OVERLAP evdw > 1d10   1.00000E+20
 624  #OVERLAPing residues             2
 625    3  29
 626  #OVERLAPing all corrected after             1  random generation
 627 #OVERLAP evdw after   4.01927E+02
 628 Waiting for     0.0552 sec
 629 #OVERLAP evdw > 1d10   1.00000E+20
 630  #OVERLAPing residues             4
 631    6  27   7  28
 632  #OVERLAPing NOT all corrected             2
 633    7  28
 634 #OVERLAP evdw after   1.00000E+20
 635 Waiting for     0.0391 sec
 636 Waiting for     0.0381 sec
 637 Waiting for     0.0395 sec
 638 Waiting for     0.0378 sec
 639 Waiting for     0.0584 sec
 640 Waiting for     0.0396 sec
 641 Waiting for     0.0007 sec
 642 Waiting for     0.0390 sec
 643 Waiting for     0.0390 sec
 644 Waiting for     0.0382 sec
 645 #OVERLAP evdw > 1d10   1.00000E+20
 646  #OVERLAPing residues             2
 647    4  24
 648  #OVERLAPing all corrected after             1  random generation
 649 #OVERLAP evdw after   8.98080E+09
 650 Waiting for     0.0396 sec
 651 #OVERLAP evdw > 1d10   1.00000E+20
 652  #OVERLAPing residues             4
 653    4  25   6  27
 654  #OVERLAPing NOT all corrected             3
 655    6  27   7
 656 #OVERLAP evdw after   1.00000E+20
 657 Waiting for     0.0385 sec
 658 #OVERLAP evdw > 1d10   1.00000E+20
 659  #OVERLAPing residues             4
 660    5  23  11  27
 661  #OVERLAPing all corrected after           121  random generation
 662 #OVERLAP evdw after   6.89891E+25
 663 Waiting for     0.0382 sec
 664 Waiting for     0.0386 sec
 665 Waiting for     0.0394 sec
 666 Waiting for     0.0181 sec
 667 #OVERLAP evdw > 1d10   1.00000E+20
 668  #OVERLAPing residues             2
 669    7  16
 670  #OVERLAPing all corrected after             1  random generation
 671 #OVERLAP evdw after   9.10689E+13
 672 Waiting for     0.0381 sec
 673 Waiting for     0.0392 sec
 674 Waiting for     0.0394 sec
 675 Waiting for     0.0392 sec
 676 Waiting for     0.0393 sec
 677 Waiting for     0.0493 sec
 678 Waiting for     0.0394 sec
 679 Waiting for     1.3330 sec
 680 Waiting for     0.0007 sec
 681 Waiting for     0.0393 sec
 682 Waiting for     0.0446 sec
 683 Waiting for     0.0388 sec
 684 Waiting for     1.0640 sec
 685 Waiting for     0.0521 sec
 686 Waiting for     0.0007 sec
 687 Waiting for     0.0007 sec
 688 #OVERLAP evdw > 1d10   1.00000E+20
 689  #OVERLAPing residues             4
 690    5  27   9  12
 691  #OVERLAPing all corrected after             3  random generation
 692 #OVERLAP evdw after   6.02651E+11
 693 Waiting for     0.0385 sec
 694 Waiting for     0.0385 sec
 695 #OVERLAP evdw > 1d10   1.00000E+20
 696  #OVERLAPing residues             2
 697    3  20
 698  #OVERLAPing all corrected after             2  random generation
 699 #OVERLAP evdw after   2.51921E+11
 700 Waiting for     0.0518 sec
 701 #OVERLAP evdw > 1d10   1.00000E+20
 702  #OVERLAPing residues             2
 703    8  23
 704  #OVERLAPing all corrected after             1  random generation
 705 #OVERLAP evdw after   1.71535E+04
 706 Waiting for     0.0384 sec
 707 #OVERLAP evdw > 1d10   1.00000E+20
 708  #OVERLAPing residues             2
 709   11  25
 710  #OVERLAPing all corrected after             2  random generation
 711 #OVERLAP evdw after   1.31594E+04
 712 Waiting for     0.0611 sec
 713 Waiting for     0.0379 sec
 714 Waiting for     0.0396 sec
 715 Waiting for     0.0397 sec
 716 Waiting for     0.0006 sec
 717 Waiting for     0.0651 sec
 718 Waiting for     0.0379 sec
 719 Waiting for     0.3525 sec
 720 Waiting for     0.0006 sec
 721 #OVERLAP evdw > 1d10   1.00000E+20
 722  #OVERLAPing residues             2
 723   17  20
 724  #OVERLAPing all corrected after             1  random generation
 725 #OVERLAP evdw after   1.22585E+03
 726 Waiting for     0.0395 sec
 727 Waiting for     0.0395 sec
 728 Waiting for     0.0389 sec
 729 Waiting for     0.0321 sec
 730 Waiting for     1.2809 sec
 731 #OVERLAP evdw > 1d10   1.00000E+20
 732  #OVERLAPing residues             4
 733    7  27   9  24
 734  #OVERLAPing all corrected after             1  random generation
 735 #OVERLAP evdw after   4.27605E+13
 736 Waiting for     0.0004 sec
 737 Waiting for     0.0383 sec
 738 Waiting for     0.0423 sec
 739 Waiting for     0.0391 sec
 740 #OVERLAP evdw > 1d10   1.00000E+20
 741  #OVERLAPing residues             2
 742   11  17
 743  #OVERLAPing all corrected after             4  random generation
 744 #OVERLAP evdw after   2.12495E+05
 745 Waiting for     0.0421 sec
 746 Waiting for     0.0395 sec
 747 Waiting for     0.0007 sec
 748 Waiting for     0.0385 sec
 749 #OVERLAP evdw > 1d10   1.00000E+20
 750  #OVERLAPing residues             2
 751    5  25
 752  #OVERLAPing all corrected after             7  random generation
 753 #OVERLAP evdw after   6.46241E+07
 754 Waiting for     0.0752 sec
 755 Waiting for     1.5600 sec
 756 #OVERLAP evdw > 1d10   1.00000E+20
 757  #OVERLAPing residues             2
 758    5  11
 759  #OVERLAPing all corrected after             1  random generation
 760 #OVERLAP evdw after   8.18851E+14
 761 Waiting for     0.0320 sec
 762 Waiting for     0.0378 sec
 763 #OVERLAP evdw > 1d10   1.00000E+20
 764  #OVERLAPing residues             2
 765    4  16
 766  #OVERLAPing all corrected after             1  random generation
 767 #OVERLAP evdw after  -1.85941E+01
 768 Waiting for     0.0395 sec
 769 Waiting for     0.0471 sec
 770 Waiting for     0.0384 sec
 771 Waiting for     0.0007 sec
 772 #OVERLAP evdw > 1d10   1.00000E+20
 773  #OVERLAPing residues             4
 774   16  27  17  25
 775  #OVERLAPing all corrected after             1  random generation
 776 #OVERLAP evdw after   1.85968E+05
 777 Waiting for     0.0391 sec
 778 #OVERLAP evdw > 1d10   1.00000E+20
 779  #OVERLAPing residues             2
 780    3  19
 781  #OVERLAPing all corrected after             1  random generation
 782 #OVERLAP evdw after   1.32323E+02
 783 Waiting for     0.0387 sec
 784 Waiting for     0.0382 sec
 785 #OVERLAP evdw > 1d10   1.00000E+20
 786  #OVERLAPing residues             4
 787   11  27  12  25
 788  #OVERLAPing all corrected after             7  random generation
 789 #OVERLAP evdw after   1.20411E+12
 790 Waiting for     0.0396 sec
 791 #OVERLAP evdw > 1d10   1.00000E+20
 792  #OVERLAPing residues             2
 793    7  25
 794  #OVERLAPing all corrected after             1  random generation
 795 #OVERLAP evdw after   3.39446E+04
 796 Waiting for     0.0381 sec
 797 Waiting for     0.0378 sec
 798 Waiting for     0.0009 sec
 799 Waiting for     0.0006 sec
 800 Waiting for     0.0383 sec
 801 Waiting for     0.0381 sec
 802 Waiting for     0.0397 sec
 803 #OVERLAP evdw > 1d10   1.00000E+20
 804  #OVERLAPing residues             2
 805    4  29
 806  #OVERLAPing all corrected after             1  random generation
 807 #OVERLAP evdw after   2.53139E+03
 808 Waiting for     0.0585 sec
 809 Waiting for     0.0382 sec
 810 #OVERLAP evdw > 1d10   1.00000E+20
 811  #OVERLAPing residues             7
 812    3  25   7  14  27   9  15
 813  #OVERLAPing all corrected after             3  random generation
 814 #OVERLAP evdw after   2.24005E+17
 815 Waiting for     0.8279 sec
 816 #OVERLAP evdw > 1d10   1.00000E+20
 817  #OVERLAPing residues             2
 818    4   9
 819  #OVERLAPing all corrected after             2  random generation
 820 #OVERLAP evdw after   2.92679E+02
 821 Waiting for     0.0111 sec
 822 Waiting for     0.0007 sec
 823 #OVERLAP evdw > 1d10   1.00000E+20
 824  #OVERLAPing residues             3
 825    6  27   8
 826  #OVERLAPing NOT all corrected             3
 827    6  27   7
 828 #OVERLAP evdw after   1.00000E+20
 829 Waiting for     0.0825 sec
 830 Waiting for     0.0007 sec
 831 Waiting for     0.5597 sec
 832 Waiting for     0.0007 sec
 833 Waiting for     0.0385 sec
 834 #OVERLAP evdw > 1d10   1.00000E+20
 835  #OVERLAPing residues             2
 836   11  23
 837  #OVERLAPing all corrected after             3  random generation
 838 #OVERLAP evdw after   4.37025E+06
 839 Waiting for     0.0540 sec
 840 Waiting for     0.0127 sec
 841 #OVERLAP evdw > 1d10   1.00000E+20
 842  #OVERLAPing residues             2
 843   14  26
 844  #OVERLAPing all corrected after             1  random generation
 845 #OVERLAP evdw after   5.30484E+08
 846 Waiting for     0.0391 sec
 847 Waiting for     0.0387 sec
 848 Waiting for     0.0384 sec
 849 Waiting for     0.0380 sec
 850 Waiting for     0.0720 sec
 851 Waiting for     0.0589 sec
 852 Waiting for     0.0379 sec
 853 #OVERLAP evdw > 1d10   1.00000E+20
 854  #OVERLAPing residues             2
 855   14  17
 856  #OVERLAPing all corrected after             2  random generation
 857 #OVERLAP evdw after   6.19307E+03
 858 Waiting for     0.0752 sec
 859 Waiting for     0.0430 sec
 860 Waiting for     0.0476 sec
 861 #OVERLAP evdw > 1d10   1.00000E+20
 862  #OVERLAPing residues             2
 863    2  20
 864  #OVERLAPing all corrected after             1  random generation
 865 #OVERLAP evdw after   1.85741E+04
 866 Waiting for     0.0289 sec
 867 Waiting for     0.0395 sec
 868 Waiting for     0.0634 sec
 869 Waiting for     0.8521 sec
 870 Waiting for     0.0007 sec
 871 Waiting for     0.0389 sec
 872 Waiting for     0.0616 sec
 873 #OVERLAP evdw > 1d10   1.00000E+20
 874  #OVERLAPing residues             2
 875   14  23
 876  #OVERLAPing all corrected after             3  random generation
 877 #OVERLAP evdw after   3.78335E+10
 878 Waiting for     0.0007 sec
 879 Waiting for     2.6000 sec
 880 Waiting for     0.0004 sec
 881 Waiting for     0.0388 sec
 882 #OVERLAP evdw > 1d10   1.00000E+20
 883  #OVERLAPing residues             4
 884    4  25   6  27
 885  #OVERLAPing NOT all corrected             3
 886    6  27  12
 887 #OVERLAP evdw after   1.00000E+20
 888 Waiting for     0.0382 sec
 889 Waiting for     0.0380 sec
 890 Waiting for     0.0389 sec
 891 Waiting for     0.0387 sec
 892 Waiting for     0.0397 sec
 893 Waiting for     0.0006 sec
 894 Waiting for     0.0383 sec
 895 Waiting for     0.0386 sec
 896 Waiting for     0.0384 sec
 897 Waiting for     0.0642 sec
 898 Waiting for     0.0665 sec
 899 Waiting for     0.0390 sec
 900 #OVERLAP evdw > 1d10   1.00000E+20
 901  #OVERLAPing residues             4
 902    5  17   7  16
 903  #OVERLAPing NOT all corrected             2
 904    5  17
 905 #OVERLAP evdw after   1.00000E+20
 906 Waiting for     0.0383 sec
 907 Waiting for     1.6140 sec
 908 Waiting for     0.0006 sec
 909 #OVERLAP evdw > 1d10   1.00000E+20
 910  #OVERLAPing residues             4
 911   16  25  20  27
 912  #OVERLAPing all corrected after             1  random generation
 913 #OVERLAP evdw after   1.98942E+15
 914 Waiting for     0.0379 sec
 915 Waiting for     0.0914 sec
 916 Waiting for     0.5205 sec
 917 Waiting for     0.0007 sec
 918 Waiting for     0.0397 sec
 919 #OVERLAP evdw > 1d10   1.00000E+20
 920  #OVERLAPing residues             2
 921    8  21
 922  #OVERLAPing all corrected after             1  random generation
 923 #OVERLAP evdw after   2.00255E+06
 924 Waiting for     0.0399 sec
 925 Waiting for     0.0007 sec
 926 Waiting for     0.0396 sec
 927 #OVERLAP evdw > 1d10   1.00000E+20
 928  #OVERLAPing residues             4
 929   18  27  19  25
 930  #OVERLAPing all corrected after             2  random generation
 931 #OVERLAP evdw after   3.02868E+08
 932 Waiting for     0.1874 sec
 933 Waiting for     0.0395 sec
 934 Waiting for     0.0385 sec
 935 Waiting for     0.0382 sec
 936 Waiting for     0.0756 sec
 937 Waiting for     0.0772 sec
 938 Waiting for     0.9657 sec
 939 Waiting for     0.0386 sec
 940 Waiting for     0.0658 sec
 941 Waiting for     0.0393 sec
 942 Waiting for     0.0395 sec
 943 Waiting for     0.0386 sec
 944 Waiting for     0.0405 sec
 945 Waiting for     0.0387 sec
 946 #OVERLAP evdw > 1d10   1.00000E+20
 947  #OVERLAPing residues             4
 948    9  19  10  20
 949  #OVERLAPing all corrected after             1  random generation
 950 #OVERLAP evdw after   4.94285E+10
 951 Waiting for     0.0398 sec
 952 Waiting for     0.0207 sec
 953 Waiting for     0.0387 sec
 954 #OVERLAP evdw > 1d10   1.00000E+20
 955  #OVERLAPing residues             2
 956   13  25
 957  #OVERLAPing all corrected after             1  random generation
 958 #OVERLAP evdw after   1.24826E+05
 959 Waiting for     0.0379 sec
 960 Waiting for     1.6453 sec
 961  End of minim, proc           30 time     3397.838321000000
 962 Processor  30 is finishing work.
 963  Total time    3435.701748999999       sec