examples/unres/CSA/CASP5/CSA/run1/output/1fsd_CASP5.out_GB002

   1 --------------------------------------------------------------------------------
   2                               FILE ASSIGNMENT
   3 --------------------------------------------------------------------------------
   4  Input file                      : 1fsd_CASP5.inp
   5  Output file                     : 1fsd_CASP5.out_GB002
   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=             2  iseed(4)=             0            0           -2
  47         -3522
  48  ran_num   0.7481252551078796
  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     1.3279 sec
 146 Waiting for     0.0383 sec
 147 Waiting for     0.0385 sec
 148 Waiting for     1.2137 sec
 149 Waiting for     0.0007 sec
 150 Waiting for     0.0381 sec
 151 Waiting for     0.0391 sec
 152 Waiting for     0.0398 sec
 153 Waiting for     0.0387 sec
 154 Waiting for     0.0384 sec
 155 Waiting for     0.0392 sec
 156 #OVERLAP evdw > 1d10   1.00000E+20
 157  #OVERLAPing residues             2
 158   19  27
 159  #OVERLAPing all corrected after             1  random generation
 160 #OVERLAP evdw after   2.39304E+06
 161 Waiting for     0.0005 sec
 162 #OVERLAP evdw > 1d10   1.00000E+20
 163  #OVERLAPing residues             2
 164    7  23
 165  #OVERLAPing all corrected after             2  random generation
 166 #OVERLAP evdw after   8.10934E+10
 167 Waiting for     0.0391 sec
 168 #OVERLAP evdw > 1d10   1.00000E+20
 169  #OVERLAPing residues             2
 170    5  25
 171  #OVERLAPing all corrected after             1  random generation
 172 #OVERLAP evdw after   3.67343E+11
 173 Waiting for     0.0380 sec
 174 Waiting for     0.0389 sec
 175 Waiting for     0.0381 sec
 176 Waiting for     0.0384 sec
 177 Waiting for     0.0382 sec
 178 #OVERLAP evdw > 1d10   1.00000E+20
 179  #OVERLAPing residues             2
 180    4  21
 181  #OVERLAPing all corrected after             1  random generation
 182 #OVERLAP evdw after   2.01687E+27
 183 Waiting for     0.0006 sec
 184 #OVERLAP evdw > 1d10   1.00000E+20
 185  #OVERLAPing residues             2
 186   22  25
 187  #OVERLAPing all corrected after             1  random generation
 188 #OVERLAP evdw after   6.55767E+04
 189 Waiting for     0.0380 sec
 190 Waiting for     0.0383 sec
 191 #OVERLAP evdw > 1d10   5.76221E+21
 192  #OVERLAPing residues             0
 193
 194  #OVERLAPing all corrected after             1  random generation
 195 #OVERLAP evdw after   5.76221E+21
 196 Waiting for     0.0386 sec
 197 Waiting for     0.0398 sec
 198 Waiting for     0.0396 sec
 199 Waiting for     0.0380 sec
 200 Waiting for     0.0388 sec
 201 #OVERLAP evdw > 1d10   1.00000E+20
 202  #OVERLAPing residues             2
 203    3  27
 204  #OVERLAPing all corrected after             1  random generation
 205 #OVERLAP evdw after   9.08440E+13
 206 Waiting for     0.0383 sec
 207 Waiting for     0.0007 sec
 208 Waiting for     0.6931 sec
 209 Waiting for     0.0074 sec
 210 Waiting for     0.0388 sec
 211 Waiting for     0.0392 sec
 212 Waiting for     0.0385 sec
 213 Waiting for     0.0396 sec
 214 Waiting for     0.0395 sec
 215 #OVERLAP evdw > 1d10   1.00000E+20
 216  #OVERLAPing residues             2
 217   11  20
 218  #OVERLAPing all corrected after             2  random generation
 219 #OVERLAP evdw after   4.87578E+21
 220 Waiting for     0.0006 sec
 221 Waiting for     0.0388 sec
 222 Waiting for     0.0386 sec
 223 #OVERLAP evdw > 1d10   1.00000E+20
 224  #OVERLAPing residues             5
 225    7  24   9  19  13
 226  #OVERLAPing all corrected after            15  random generation
 227 #OVERLAP evdw after   1.47737E+23
 228 Waiting for     0.0387 sec
 229 Waiting for     0.0384 sec
 230 Waiting for     0.0390 sec
 231 Waiting for     0.0388 sec
 232 Waiting for     0.0386 sec
 233 Waiting for     0.0006 sec
 234 Waiting for     0.0385 sec
 235 Waiting for     0.0384 sec
 236 Waiting for     0.0400 sec
 237 Waiting for     0.0397 sec
 238 #OVERLAP evdw > 1d10   1.00000E+20
 239  #OVERLAPing residues             4
 240    4  27   9  25
 241  #OVERLAPing all corrected after             1  random generation
 242 #OVERLAP evdw after   1.20031E+04
 243 Waiting for     0.0384 sec
 244 Waiting for     0.0382 sec
 245 Waiting for     0.0396 sec
 246 Waiting for     0.0394 sec
 247 #OVERLAP evdw > 1d10   1.00000E+20
 248  #OVERLAPing residues             2
 249    2  15
 250  #OVERLAPing all corrected after             1  random generation
 251 #OVERLAP evdw after   6.68386E+12
 252 Waiting for     0.0007 sec
 253 Waiting for     0.0741 sec
 254 #OVERLAP evdw > 1d10   1.00000E+20
 255  #OVERLAPing residues             4
 256   13  20  15  22
 257  #OVERLAPing all corrected after             1  random generation
 258 #OVERLAP evdw after   1.30490E+05
 259 Waiting for     0.0395 sec
 260 Waiting for     0.0384 sec
 261 Waiting for     0.0006 sec
 262 Waiting for     0.2350 sec
 263 Waiting for     0.0007 sec
 264 Waiting for     0.0384 sec
 265 Waiting for     0.0004 sec
 266 Waiting for     0.0396 sec
 267 Waiting for     0.0397 sec
 268 Waiting for     0.0389 sec
 269 Waiting for     0.0393 sec
 270 #OVERLAP evdw > 1d10   1.00000E+20
 271  #OVERLAPing residues             2
 272   20  27
 273  #OVERLAPing all corrected after             1  random generation
 274 #OVERLAP evdw after   3.42745E+03
 275 Waiting for     0.0751 sec
 276 Waiting for     0.0397 sec
 277 Waiting for     0.0563 sec
 278 Waiting for     0.0299 sec
 279 Waiting for     0.0381 sec
 280 Waiting for     0.0385 sec
 281 Waiting for     0.0536 sec
 282 #OVERLAP evdw > 1d10   1.00000E+20
 283  #OVERLAPing residues             2
 284    9  23
 285  #OVERLAPing all corrected after             1  random generation
 286 #OVERLAP evdw after   1.30257E+06
 287 Waiting for     0.0393 sec
 288 Waiting for     0.0385 sec
 289 Waiting for     0.0393 sec
 290 Waiting for     0.0385 sec
 291 #OVERLAP evdw > 1d10   1.00000E+20
 292  #OVERLAPing residues             2
 293    5  17
 294  #OVERLAPing all corrected after             2  random generation
 295 #OVERLAP evdw after   3.66005E+04
 296 Waiting for     0.0380 sec
 297 Waiting for     0.0379 sec
 298 Waiting for     0.0383 sec
 299 Waiting for     0.1275 sec
 300 Waiting for     0.0006 sec
 301 Waiting for     0.0398 sec
 302 Waiting for     0.0395 sec
 303 #OVERLAP evdw > 1d10   1.00000E+20
 304  #OVERLAPing residues             7
 305    4  11   7  20  21   8  23
 306  #OVERLAPing all corrected after             2  random generation
 307 #OVERLAP evdw after   9.51264E+27
 308 Waiting for     0.0600 sec
 309 Waiting for     0.0387 sec
 310 Waiting for     0.0007 sec
 311 #OVERLAP evdw > 1d10   1.00000E+20
 312  #OVERLAPing residues             2
 313   20  25
 314  #OVERLAPing all corrected after             3  random generation
 315 #OVERLAP evdw after   2.27361E+13
 316 Waiting for     0.0385 sec
 317 Waiting for     0.0396 sec
 318 Waiting for     0.0388 sec
 319 Waiting for     0.0384 sec
 320 Waiting for     0.0379 sec
 321 Waiting for     0.4736 sec
 322 Waiting for     0.0007 sec
 323 Waiting for     0.0006 sec
 324 #OVERLAP evdw > 1d10   1.00000E+20
 325  #OVERLAPing residues             6
 326    5  20   7  22   9  21
 327  #OVERLAPing all corrected after             4  random generation
 328 #OVERLAP evdw after   1.14759E+06
 329 Waiting for     0.0391 sec
 330 Waiting for     0.0394 sec
 331 Waiting for     0.0391 sec
 332 Waiting for     0.0392 sec
 333 Waiting for     0.0384 sec
 334 #OVERLAP evdw > 1d10   1.00000E+20
 335  #OVERLAPing residues             2
 336   13  27
 337  #OVERLAPing all corrected after             1  random generation
 338 #OVERLAP evdw after   2.64026E+06
 339 Waiting for     0.0396 sec
 340 #OVERLAP evdw > 1d10   1.00000E+20
 341  #OVERLAPing residues             2
 342    9  17
 343  #OVERLAPing all corrected after             2  random generation
 344 #OVERLAP evdw after   5.19920E+01
 345 Waiting for     0.0386 sec
 346 #OVERLAP evdw > 1d10   1.00000E+20
 347  #OVERLAPing residues             2
 348    8  17
 349  #OVERLAPing all corrected after             1  random generation
 350 #OVERLAP evdw after   2.56016E+03
 351 Waiting for     0.0385 sec
 352 Waiting for     0.0008 sec
 353 #OVERLAP evdw > 1d10   1.00000E+20
 354  #OVERLAPing residues             2
 355    5  27
 356  #OVERLAPing all corrected after             1  random generation
 357 #OVERLAP evdw after   1.29872E+07
 358 Waiting for     0.0386 sec
 359 Waiting for     0.0382 sec
 360 Waiting for     0.0391 sec
 361 Waiting for     0.0389 sec
 362 Waiting for     0.0384 sec
 363 Waiting for     0.0396 sec
 364 Waiting for     0.7570 sec
 365 #OVERLAP evdw > 1d10   1.00000E+20
 366  #OVERLAPing residues             2
 367    7  20
 368  #OVERLAPing all corrected after             3  random generation
 369 #OVERLAP evdw after   3.85809E+03
 370 Waiting for     0.0149 sec
 371 #OVERLAP evdw > 1d10   1.00000E+20
 372  #OVERLAPing residues             2
 373    9  15
 374  #OVERLAPing all corrected after             1  random generation
 375 #OVERLAP evdw after   1.58833E+11
 376 Waiting for     0.0382 sec
 377 #OVERLAP evdw > 1d10   1.00000E+20
 378  #OVERLAPing residues             2
 379    4  17
 380  #OVERLAPing all corrected after             1  random generation
 381 #OVERLAP evdw after   4.11987E+16
 382 Waiting for     0.0392 sec
 383 Waiting for     0.0379 sec
 384 Waiting for     0.0383 sec
 385 Waiting for     0.0387 sec
 386 #OVERLAP evdw > 1d10   1.00000E+20
 387  #OVERLAPing residues             3
 388   14  25  15
 389  #OVERLAPing all corrected after             2  random generation
 390 #OVERLAP evdw after   1.38286E+06
 391 Waiting for     0.0382 sec
 392 Waiting for     0.0382 sec
 393 Waiting for     0.0307 sec
 394 #OVERLAP evdw > 1d10   1.00000E+20
 395  #OVERLAPing residues             2
 396    7   9
 397  #OVERLAPing all corrected after             1  random generation
 398 #OVERLAP evdw after   3.39297E+09
 399 Waiting for     0.0397 sec
 400 Waiting for     0.0383 sec
 401 Waiting for     0.0381 sec
 402 Waiting for     0.0379 sec
 403 Waiting for     0.0400 sec
 404 Waiting for     0.0383 sec
 405 Waiting for     0.0396 sec
 406 Waiting for     0.0383 sec
 407 Waiting for     0.0166 sec
 408 #OVERLAP evdw > 1d10   1.00000E+20
 409  #OVERLAPing residues             2
 410    4  23
 411  #OVERLAPing all corrected after             3  random generation
 412 #OVERLAP evdw after   2.39302E+27
 413 Waiting for     0.0395 sec
 414 Waiting for     0.0498 sec
 415 Waiting for     0.0393 sec
 416 Waiting for     0.0379 sec
 417 Waiting for     0.0380 sec
 418 #OVERLAP evdw > 1d10   1.00000E+20
 419  #OVERLAPing residues             2
 420   17  23
 421  #OVERLAPing all corrected after            45  random generation
 422 #OVERLAP evdw after   4.43144E+19
 423 Waiting for     0.0726 sec
 424 #OVERLAP evdw > 1d10   1.00000E+20
 425  #OVERLAPing residues             6
 426    2  27   5  24  12  20
 427  #OVERLAPing all corrected after             1  random generation
 428 #OVERLAP evdw after   3.62127E+11
 429 Waiting for     0.0383 sec
 430 Waiting for     0.0308 sec
 431 Waiting for     0.0396 sec
 432 #OVERLAP evdw > 1d10   1.00000E+20
 433  #OVERLAPing residues             8
 434    6  23   7  24   8  25  11  27
 435  #OVERLAPing NOT all corrected             2
 436    6  23
 437 #OVERLAP evdw after   1.00000E+20
 438 Waiting for     0.0386 sec
 439 #OVERLAP evdw > 1d10   1.00000E+20
 440  #OVERLAPing residues             6
 441    6  23   7  24   8  25
 442  #OVERLAPing NOT all corrected             2
 443    6  23
 444 #OVERLAP evdw after   1.00000E+20
 445 Waiting for     0.0400 sec
 446 Waiting for     0.0397 sec
 447 Waiting for     0.0393 sec
 448 #OVERLAP evdw > 1d10   1.00000E+20
 449  #OVERLAPing residues             2
 450   11  29
 451  #OVERLAPing all corrected after             2  random generation
 452 #OVERLAP evdw after   6.87491E+12
 453 Waiting for     0.0385 sec
 454 Waiting for     0.0390 sec
 455 Waiting for     0.0006 sec
 456 Waiting for     0.0394 sec
 457 Waiting for     0.0393 sec
 458 Waiting for     0.0386 sec
 459 #OVERLAP evdw > 1d10   1.00000E+20
 460  #OVERLAPing residues             3
 461    7  25  26
 462  #OVERLAPing all corrected after             1  random generation
 463 #OVERLAP evdw after   6.97885E+17
 464 Waiting for     0.0384 sec
 465 #OVERLAP evdw > 1d10   1.00000E+20
 466  #OVERLAPing residues             2
 467   12  27
 468  #OVERLAPing all corrected after             1  random generation
 469 #OVERLAP evdw after   3.32881E+08
 470 Waiting for     0.0386 sec
 471 Waiting for     0.0394 sec
 472 Waiting for     2.0169 sec
 473 Waiting for     0.0004 sec
 474 Waiting for     0.0389 sec
 475 Waiting for     0.0382 sec
 476 Waiting for     1.6360 sec
 477 Waiting for     0.0387 sec
 478 #OVERLAP evdw > 1d10   1.00000E+20
 479  #OVERLAPing residues             2
 480    3  27
 481  #OVERLAPing all corrected after             1  random generation
 482 #OVERLAP evdw after  -1.95389E+01
 483 Waiting for     0.0393 sec
 484 #OVERLAP evdw > 1d10   1.00000E+20
 485  #OVERLAPing residues             2
 486    3  17
 487  #OVERLAPing all corrected after             1  random generation
 488 #OVERLAP evdw after   2.32746E+08
 489 Waiting for     0.0379 sec
 490 #OVERLAP evdw > 1d10   1.00000E+20
 491  #OVERLAPing residues             2
 492    9  27
 493  #OVERLAPing all corrected after             1  random generation
 494 #OVERLAP evdw after   8.07997E+10
 495 Waiting for     0.6015 sec
 496 Waiting for     0.0008 sec
 497 Waiting for     0.0004 sec
 498 Waiting for     0.0398 sec
 499 #OVERLAP evdw > 1d10   1.00000E+20
 500  #OVERLAPing residues             3
 501    2  11  23
 502  #OVERLAPing all corrected after             1  random generation
 503 #OVERLAP evdw after   3.22524E+14
 504 Waiting for     0.0392 sec
 505 Waiting for     0.0391 sec
 506 Waiting for     0.0396 sec
 507 Waiting for     0.0390 sec
 508 Waiting for     0.0386 sec
 509 Waiting for     0.0379 sec
 510 #OVERLAP evdw > 1d10   1.00000E+20
 511  #OVERLAPing residues             2
 512    7  23
 513  #OVERLAPing NOT all corrected             2
 514    7  23
 515 #OVERLAP evdw after   1.00000E+20
 516 Waiting for     0.0621 sec
 517 Waiting for     0.0702 sec
 518 Waiting for     0.0380 sec
 519 Waiting for     0.0397 sec
 520 Waiting for     0.0387 sec
 521 Waiting for     0.0667 sec
 522 Waiting for     0.0396 sec
 523 Waiting for     0.0384 sec
 524 #OVERLAP evdw > 1d10   1.00000E+20
 525  #OVERLAPing residues             2
 526   10  29
 527  #OVERLAPing all corrected after             1  random generation
 528 #OVERLAP evdw after   6.98866E+06
 529 Waiting for     0.0392 sec
 530 Waiting for     0.0008 sec
 531 Waiting for     0.0396 sec
 532 #OVERLAP evdw > 1d10   1.00000E+20
 533  #OVERLAPing residues             2
 534    7  14
 535  #OVERLAPing all corrected after             2  random generation
 536 #OVERLAP evdw after  -4.17120E+01
 537 Waiting for     0.0386 sec
 538 Waiting for     0.0395 sec
 539 Waiting for     0.0388 sec
 540 Waiting for     0.0396 sec
 541 Waiting for     0.0392 sec
 542 Waiting for     0.0398 sec
 543 Waiting for     0.0091 sec
 544 Waiting for     0.0396 sec
 545 Waiting for     0.0006 sec
 546 #OVERLAP evdw > 1d10   1.00000E+20
 547  #OVERLAPing residues             2
 548    5  25
 549  #OVERLAPing all corrected after             1  random generation
 550 #OVERLAP evdw after   8.24196E+17
 551 Waiting for     0.0384 sec
 552 #OVERLAP evdw > 1d10   1.00000E+20
 553  #OVERLAPing residues             2
 554    9  14
 555  #OVERLAPing all corrected after             1  random generation
 556 #OVERLAP evdw after   2.71605E+01
 557 Waiting for     0.0387 sec
 558 Waiting for     0.0389 sec
 559 Waiting for     0.0381 sec
 560 Waiting for     0.0382 sec
 561 Waiting for     0.0007 sec
 562 Waiting for     0.0387 sec
 563 #OVERLAP evdw > 1d10   1.00000E+20
 564  #OVERLAPing residues             4
 565    3  11   7  21
 566  #OVERLAPing all corrected after             3  random generation
 567 #OVERLAP evdw after   1.57943E+09
 568 Waiting for     0.0398 sec
 569 #OVERLAP evdw > 1d10   1.00000E+20
 570  #OVERLAPing residues             4
 571    5  14   9  25
 572  #OVERLAPing all corrected after             1  random generation
 573 #OVERLAP evdw after   8.72266E+32
 574 Waiting for     0.0397 sec
 575 #OVERLAP evdw > 1d10   1.00000E+20
 576  #OVERLAPing residues             2
 577    9  20
 578  #OVERLAPing all corrected after             1  random generation
 579 #OVERLAP evdw after   1.27751E+14
 580 Waiting for     0.0394 sec
 581 Waiting for     0.0383 sec
 582 Waiting for     0.0384 sec
 583 Waiting for     0.0397 sec
 584 #OVERLAP evdw > 1d10   1.00000E+20
 585  #OVERLAPing residues             3
 586    5  17   6
 587  #OVERLAPing all corrected after             1  random generation
 588 #OVERLAP evdw after   1.59993E+11
 589 Waiting for     0.0436 sec
 590 #OVERLAP evdw > 1d10   1.00000E+20
 591  #OVERLAPing residues             2
 592    4  25
 593  #OVERLAPing all corrected after             1  random generation
 594 #OVERLAP evdw after   5.97446E+09
 595 Waiting for     0.0392 sec
 596 Waiting for     0.0387 sec
 597 Waiting for     0.0389 sec
 598 Waiting for     0.0387 sec
 599 Waiting for     0.0398 sec
 600 Waiting for     0.0393 sec
 601 Waiting for     0.0380 sec
 602 #OVERLAP evdw > 1d10   1.00000E+20
 603  #OVERLAPing residues             4
 604    4  14   6  27
 605  #OVERLAPing all corrected after             3  random generation
 606 #OVERLAP evdw after   3.08020E+21
 607 Waiting for     0.0394 sec
 608 Waiting for     0.0389 sec
 609 Waiting for     0.0007 sec
 610 #OVERLAP evdw > 1d10   1.00000E+20
 611  #OVERLAPing residues             2
 612    9  27
 613  #OVERLAPing all corrected after             1  random generation
 614 #OVERLAP evdw after   7.21578E+04
 615 Waiting for     0.0391 sec
 616 Waiting for     0.0465 sec
 617 Waiting for     0.0391 sec
 618 Waiting for     0.0386 sec
 619 Waiting for     0.0394 sec
 620 #OVERLAP evdw > 1d10   1.00000E+20
 621  #OVERLAPing residues             3
 622    7  28  29
 623  #OVERLAPing all corrected after             2  random generation
 624 #OVERLAP evdw after   8.63802E+07
 625 Waiting for     0.0382 sec
 626 #OVERLAP evdw > 1d10   1.00000E+20
 627  #OVERLAPing residues             4
 628    8  17   9  18
 629  #OVERLAPing all corrected after             2  random generation
 630 #OVERLAP evdw after   2.29348E+10
 631 Waiting for     0.0007 sec
 632 #OVERLAP evdw > 1d10   1.00000E+20
 633  #OVERLAPing residues             2
 634    8  25
 635  #OVERLAPing all corrected after             1  random generation
 636 #OVERLAP evdw after   2.19098E+09
 637 Waiting for     0.0395 sec
 638 Waiting for     0.0384 sec
 639 #OVERLAP evdw > 1d10   1.00000E+20
 640  #OVERLAPing residues             2
 641    9  25
 642  #OVERLAPing all corrected after             2  random generation
 643 #OVERLAP evdw after  -9.61291E+00
 644 Waiting for     0.0395 sec
 645 Waiting for     0.0396 sec
 646 Waiting for     0.0383 sec
 647 Waiting for     0.0390 sec
 648 Waiting for     0.0687 sec
 649 Waiting for     1.9111 sec
 650 #OVERLAP evdw > 1d10   1.00000E+20
 651  #OVERLAPing residues             2
 652    5  26
 653  #OVERLAPing all corrected after             1  random generation
 654 #OVERLAP evdw after   6.10163E+07
 655 Waiting for     0.0175 sec
 656 Waiting for     0.0387 sec
 657 Waiting for     0.0393 sec
 658 #OVERLAP evdw > 1d10   1.00000E+20
 659  #OVERLAPing residues             8
 660    4  17  26   7  20  11  13  25
 661  #OVERLAPing all corrected after             2  random generation
 662 #OVERLAP evdw after   3.00823E+17
 663 Waiting for     0.0392 sec
 664 Waiting for     0.0384 sec
 665 Waiting for     0.0617 sec
 666 Waiting for     0.0388 sec
 667 Waiting for     0.0394 sec
 668 Waiting for     0.0062 sec
 669 Waiting for     0.0378 sec
 670 #OVERLAP evdw > 1d10   1.00000E+20
 671  #OVERLAPing residues             2
 672   16  20
 673  #OVERLAPing all corrected after             2  random generation
 674 #OVERLAP evdw after   3.94741E+12
 675 Waiting for     0.0389 sec
 676 Waiting for     0.0393 sec
 677 Waiting for     0.0394 sec
 678 Waiting for     0.0387 sec
 679 Waiting for     0.0383 sec
 680 Waiting for     0.0387 sec
 681 Waiting for     0.0006 sec
 682 Waiting for     0.0381 sec
 683 Waiting for     0.0392 sec
 684 Waiting for     0.0387 sec
 685 Waiting for     0.0382 sec
 686 #OVERLAP evdw > 1d10   1.00000E+20
 687  #OVERLAPing residues             4
 688    6  24   7  25
 689  #OVERLAPing all corrected after             1  random generation
 690 #OVERLAP evdw after   2.86794E+11
 691 Waiting for     0.0381 sec
 692 Waiting for     0.0391 sec
 693 Waiting for     0.9281 sec
 694 Waiting for     0.0007 sec
 695 #OVERLAP evdw > 1d10   1.00000E+20
 696  #OVERLAPing residues             4
 697    7  15   9  25
 698  #OVERLAPing all corrected after             2  random generation
 699 #OVERLAP evdw after   8.67209E+09
 700 Waiting for     0.0007 sec
 701 #OVERLAP evdw > 1d10   1.00000E+20
 702  #OVERLAPing residues             2
 703    3  25
 704  #OVERLAPing all corrected after             1  random generation
 705 #OVERLAP evdw after   7.02663E+06
 706 Waiting for     0.0383 sec
 707 #OVERLAP evdw > 1d10   1.00000E+20
 708  #OVERLAPing residues             2
 709    5  25
 710  #OVERLAPing all corrected after             1  random generation
 711 #OVERLAP evdw after   2.52759E+20
 712 Waiting for     0.0387 sec
 713 #OVERLAP evdw > 1d10   1.00000E+20
 714  #OVERLAPing residues             2
 715    3  18
 716  #OVERLAPing all corrected after             1  random generation
 717 #OVERLAP evdw after   2.91574E+14
 718 Waiting for     0.0389 sec
 719 Waiting for     0.5074 sec
 720 Waiting for     0.0007 sec
 721 Waiting for     0.0387 sec
 722 Waiting for     0.0390 sec
 723 Waiting for     0.0004 sec
 724 #OVERLAP evdw > 1d10   1.00000E+20
 725  #OVERLAPing residues             4
 726    4  14   7  27
 727  #OVERLAPing all corrected after             2  random generation
 728 #OVERLAP evdw after   1.10352E+10
 729 Waiting for     0.0384 sec
 730 Waiting for     0.0397 sec
 731 Waiting for     0.0394 sec
 732 Waiting for     1.4427 sec
 733 #OVERLAP evdw > 1d10   1.00000E+20
 734  #OVERLAPing residues             2
 735   13  29
 736  #OVERLAPing all corrected after             4  random generation
 737 #OVERLAP evdw after   3.13929E+07
 738 Waiting for     0.0005 sec
 739 #OVERLAP evdw > 1d10   1.00000E+20
 740  #OVERLAPing residues             2
 741   11  27
 742  #OVERLAPing all corrected after             1  random generation
 743 #OVERLAP evdw after   3.54856E+20
 744 Waiting for     0.0383 sec
 745 Waiting for     0.0392 sec
 746 Waiting for     0.0007 sec
 747 Waiting for     0.0379 sec
 748 Waiting for     0.0394 sec
 749 Waiting for     0.0377 sec
 750 Waiting for     0.0393 sec
 751 #OVERLAP evdw > 1d10   1.00000E+20
 752  #OVERLAPing residues             4
 753    2  25   3  23
 754  #OVERLAPing all corrected after             1  random generation
 755 #OVERLAP evdw after   9.65741E+08
 756 Waiting for     0.0394 sec
 757 Waiting for     0.0383 sec
 758 Waiting for     0.0396 sec
 759 Waiting for     0.0384 sec
 760 Waiting for     0.0007 sec
 761 Waiting for     0.0398 sec
 762 Waiting for     0.0390 sec
 763 #OVERLAP evdw > 1d10   1.00000E+20
 764  #OVERLAPing residues             2
 765    9  27
 766  #OVERLAPing all corrected after             8  random generation
 767 #OVERLAP evdw after   6.72779E+13
 768 Waiting for     0.0387 sec
 769 Waiting for     0.0391 sec
 770 Waiting for     0.0394 sec
 771 #OVERLAP evdw > 1d10   1.00000E+20
 772  #OVERLAPing residues             2
 773   17  25
 774  #OVERLAPing all corrected after             1  random generation
 775 #OVERLAP evdw after   1.74637E+05
 776 Waiting for     0.0387 sec
 777 Waiting for     0.0385 sec
 778 Waiting for     0.0396 sec
 779 Waiting for     0.0383 sec
 780 Waiting for     0.0380 sec
 781 Waiting for     0.0388 sec
 782 Waiting for     0.0394 sec
 783 Waiting for     0.0465 sec
 784 Waiting for     0.0393 sec
 785 #OVERLAP evdw > 1d10   1.00000E+20
 786  #OVERLAPing residues             2
 787    6  27
 788  #OVERLAPing all corrected after             1  random generation
 789 #OVERLAP evdw after   1.00787E+10
 790 Waiting for     0.0392 sec
 791 Waiting for     0.0007 sec
 792 #OVERLAP evdw > 1d10   1.00000E+20
 793  #OVERLAPing residues             2
 794   12  27
 795  #OVERLAPing all corrected after             1  random generation
 796 #OVERLAP evdw after   1.68607E+17
 797 Waiting for     0.0385 sec
 798 #OVERLAP evdw > 1d10   1.00000E+20
 799  #OVERLAPing residues             2
 800    9  25
 801  #OVERLAPing all corrected after             3  random generation
 802 #OVERLAP evdw after   9.44376E+09
 803 Waiting for     0.0384 sec
 804 Waiting for     0.0379 sec
 805 Waiting for     0.0400 sec
 806 Waiting for     2.0006 sec
 807 Waiting for     0.0007 sec
 808 #OVERLAP evdw > 1d10   1.00000E+20
 809  #OVERLAPing residues             2
 810    3  13
 811  #OVERLAPing all corrected after             1  random generation
 812 #OVERLAP evdw after   3.78333E+09
 813 Waiting for     0.0397 sec
 814 Waiting for     0.0381 sec
 815 Waiting for     1.0379 sec
 816 Waiting for     0.0007 sec
 817 #OVERLAP evdw > 1d10   1.00000E+20
 818  #OVERLAPing residues             2
 819   15  19
 820  #OVERLAPing all corrected after             1  random generation
 821 #OVERLAP evdw after   2.04105E+04
 822 Waiting for     0.0390 sec
 823 #OVERLAP evdw > 1d10   1.00000E+20
 824  #OVERLAPing residues             2
 825    4  18
 826  #OVERLAPing all corrected after             2  random generation
 827 #OVERLAP evdw after   7.43132E+09
 828 Waiting for     0.0388 sec
 829 Waiting for     0.0380 sec
 830 Waiting for     0.0382 sec
 831 Waiting for     0.0387 sec
 832 Waiting for     0.0397 sec
 833 Waiting for     0.0008 sec
 834 #OVERLAP evdw > 1d10   1.00000E+20
 835  #OVERLAPing residues             2
 836    5  14
 837  #OVERLAPing all corrected after             1  random generation
 838 #OVERLAP evdw after   1.90928E+12
 839 Waiting for     0.0390 sec
 840 Waiting for     0.0396 sec
 841 Waiting for     0.0381 sec
 842 Waiting for     0.0393 sec
 843 Waiting for     0.0385 sec
 844 Waiting for     0.0390 sec
 845 #OVERLAP evdw > 1d10   1.00000E+20
 846  #OVERLAPing residues             2
 847    4  28
 848  #OVERLAPing all corrected after             1  random generation
 849 #OVERLAP evdw after   2.13165E+01
 850 Waiting for     0.0385 sec
 851 Waiting for     0.0006 sec
 852 #OVERLAP evdw > 1d10   1.00000E+20
 853  #OVERLAPing residues             6
 854    5  18  12  25  14  22
 855  #OVERLAPing all corrected after             1  random generation
 856 #OVERLAP evdw after   1.66666E+15
 857 Waiting for     0.0388 sec
 858 Waiting for     0.0392 sec
 859 Waiting for     0.0397 sec
 860 Waiting for     0.0385 sec
 861 Waiting for     0.0395 sec
 862 #OVERLAP evdw > 1d10   1.00000E+20
 863  #OVERLAPing residues             8
 864    7  17   8  19   9  20  11  25
 865  #OVERLAPing all corrected after             2  random generation
 866 #OVERLAP evdw after   8.50148E+09
 867 Waiting for     0.0387 sec
 868 Waiting for     0.0398 sec
 869 Waiting for     2.5739 sec
 870 Waiting for     0.0385 sec
 871 Waiting for     0.0392 sec
 872 Waiting for     0.0379 sec
 873 Waiting for     0.0394 sec
 874 Waiting for     0.0385 sec
 875 Waiting for     0.0385 sec
 876 Waiting for     0.0390 sec
 877 Waiting for     0.0397 sec
 878 Waiting for     0.0007 sec
 879 Waiting for     0.0381 sec
 880 #OVERLAP evdw > 1d10   1.00000E+20
 881  #OVERLAPing residues             4
 882    7  20   9  22
 883  #OVERLAPing all corrected after             2  random generation
 884 #OVERLAP evdw after   4.30676E+10
 885 Waiting for     0.0378 sec
 886 Waiting for     0.0384 sec
 887 Waiting for     0.0395 sec
 888 Waiting for     0.0388 sec
 889 #OVERLAP evdw > 1d10   1.00000E+20
 890  #OVERLAPing residues             6
 891    3  17   4  18   9  22
 892  #OVERLAPing all corrected after             9  random generation
 893 #OVERLAP evdw after   1.76094E+18
 894 Waiting for     0.0390 sec
 895 Waiting for     0.0385 sec
 896 #OVERLAP evdw > 1d10   1.00000E+20
 897  #OVERLAPing residues             2
 898   17  19
 899  #OVERLAPing all corrected after             1  random generation
 900 #OVERLAP evdw after  -3.98953E+01
 901 Waiting for     0.0007 sec
 902 #OVERLAP evdw > 1d10   1.00000E+20
 903  #OVERLAPing residues             2
 904    7  25
 905  #OVERLAPing all corrected after             1  random generation
 906 #OVERLAP evdw after   1.68967E+05
 907 Waiting for     0.0394 sec
 908 Waiting for     0.0385 sec
 909 Waiting for     0.0389 sec
 910 Waiting for     0.0394 sec
 911 Waiting for     0.0397 sec
 912 Waiting for     0.0389 sec
 913 #OVERLAP evdw > 1d10   1.00000E+20
 914  #OVERLAPing residues             4
 915    5  23   7  26
 916  #OVERLAPing all corrected after             2  random generation
 917 #OVERLAP evdw after   1.95234E+19
 918 Waiting for     0.0394 sec
 919 Waiting for     0.0388 sec
 920 Waiting for     0.0008 sec
 921 Waiting for     0.0396 sec
 922 Waiting for     0.0395 sec
 923 Waiting for     0.0382 sec
 924 Waiting for     0.0390 sec
 925 Waiting for     0.0389 sec
 926 Waiting for     0.0388 sec
 927 Waiting for     0.0381 sec
 928  End of minim, proc            2 time     3398.865750000000
 929 Processor   2 is finishing work.
 930  Total time    3435.747383000000       sec