examples/unres/CSA/CASP5/CSA/run1/output/1fsd_CASP5.out_GB005

   1 --------------------------------------------------------------------------------
   2                               FILE ASSIGNMENT
   3 --------------------------------------------------------------------------------
   4  Input file                      : 1fsd_CASP5.inp
   5  Output file                     : 1fsd_CASP5.out_GB005
   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=             5  iseed(4)=             0            0           -4
  47         -7045
  48  ran_num   0.4962334334850311
  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     1.3271 sec
 146 Waiting for     0.0007 sec
 147 Waiting for     0.0381 sec
 148 Waiting for     1.2139 sec
 149 #OVERLAP evdw > 1d10   1.00000E+20
 150  #OVERLAPing residues             2
 151   13  19
 152  #OVERLAPing all corrected after             2  random generation
 153 #OVERLAP evdw after   3.61640E+10
 154 Waiting for     0.0560 sec
 155 Waiting for     0.0384 sec
 156 Waiting for     0.0390 sec
 157 Waiting for     0.0382 sec
 158 Waiting for     0.0384 sec
 159 Waiting for     0.0392 sec
 160 Waiting for     0.0017 sec
 161 #OVERLAP evdw > 1d10   1.00000E+20
 162  #OVERLAPing residues             2
 163   11  21
 164  #OVERLAPing all corrected after             2  random generation
 165 #OVERLAP evdw after   2.89693E+07
 166 Waiting for     0.0394 sec
 167 #OVERLAP evdw > 1d10   1.00000E+20
 168  #OVERLAPing residues             2
 169    8  28
 170  #OVERLAPing NOT all corrected             2
 171    8  28
 172 #OVERLAP evdw after   1.00000E+20
 173 Waiting for     0.0385 sec
 174 #OVERLAP evdw > 1d10   4.83784E+27
 175  #OVERLAPing residues             0
 176
 177  #OVERLAPing all corrected after             1  random generation
 178 #OVERLAP evdw after   4.83784E+27
 179 Waiting for     0.0378 sec
 180 Waiting for     0.0381 sec
 181 #OVERLAP evdw > 1d10   1.00000E+20
 182  #OVERLAPing residues             2
 183    3  13
 184  #OVERLAPing all corrected after             1  random generation
 185 #OVERLAP evdw after   6.02332E+06
 186 Waiting for     0.0385 sec
 187 Waiting for     0.0467 sec
 188 Waiting for     0.0393 sec
 189 Waiting for     0.0380 sec
 190 Waiting for     0.0006 sec
 191 Waiting for     0.0387 sec
 192 Waiting for     0.0385 sec
 193 #OVERLAP evdw > 1d10   1.00000E+20
 194  #OVERLAPing residues             2
 195   16  26
 196  #OVERLAPing all corrected after             1  random generation
 197 #OVERLAP evdw after   9.37942E+12
 198 Waiting for     0.0386 sec
 199 Waiting for     0.0383 sec
 200 Waiting for     0.0387 sec
 201 Waiting for     0.0382 sec
 202 #OVERLAP evdw > 1d10   1.00000E+20
 203  #OVERLAPing residues             2
 204   11  14
 205  #OVERLAPing all corrected after             1  random generation
 206 #OVERLAP evdw after   1.91647E+12
 207 Waiting for     0.0391 sec
 208 Waiting for     0.0465 sec
 209 Waiting for     0.0007 sec
 210 #OVERLAP evdw > 1d10   1.00000E+20
 211  #OVERLAPing residues             4
 212    7  17  13  26
 213  #OVERLAPing all corrected after             3  random generation
 214 #OVERLAP evdw after   1.51073E+11
 215 Waiting for     0.0383 sec
 216 Waiting for     0.0537 sec
 217 Waiting for     0.0388 sec
 218 Waiting for     0.0397 sec
 219 #OVERLAP evdw > 1d10   1.64610E+20
 220  #OVERLAPing residues             0
 221
 222  #OVERLAPing all corrected after             1  random generation
 223 #OVERLAP evdw after   1.64610E+20
 224 Waiting for     0.0564 sec
 225 Waiting for     0.0380 sec
 226 Waiting for     0.0006 sec
 227 Waiting for     0.1794 sec
 228 Waiting for     0.0007 sec
 229 Waiting for     0.0398 sec
 230 #OVERLAP evdw > 1d10   1.00000E+20
 231  #OVERLAPing residues             2
 232   16  26
 233  #OVERLAPing all corrected after             1  random generation
 234 #OVERLAP evdw after   2.38359E+13
 235 Waiting for     0.0392 sec
 236 Waiting for     0.0388 sec
 237 Waiting for     0.0387 sec
 238 Waiting for     0.0386 sec
 239 #OVERLAP evdw > 1d10   1.00000E+20
 240  #OVERLAPing residues             2
 241   22  25
 242  #OVERLAPing all corrected after             1  random generation
 243 #OVERLAP evdw after   1.26517E+04
 244 Waiting for     0.0393 sec
 245 Waiting for     0.0396 sec
 246 #OVERLAP evdw > 1d10   1.00000E+20
 247  #OVERLAPing residues             3
 248    2  27  11
 249  #OVERLAPing all corrected after             2  random generation
 250 #OVERLAP evdw after   2.29152E+07
 251 Waiting for     0.0391 sec
 252 Waiting for     0.0377 sec
 253 Waiting for     0.4026 sec
 254 Waiting for     0.0007 sec
 255 Waiting for     0.0386 sec
 256 Waiting for     0.0394 sec
 257 Waiting for     0.0521 sec
 258 Waiting for     0.0381 sec
 259 Waiting for     0.0379 sec
 260 Waiting for     0.0380 sec
 261 Waiting for     0.0380 sec
 262 Waiting for     0.0396 sec
 263 Waiting for     0.0391 sec
 264 #OVERLAP evdw > 1d10   1.00000E+20
 265  #OVERLAPing residues             2
 266   18  25
 267  #OVERLAPing all corrected after             1  random generation
 268 #OVERLAP evdw after   1.99290E+09
 269 Waiting for     0.0391 sec
 270 Waiting for     0.0391 sec
 271 Waiting for     0.0007 sec
 272 Waiting for     0.0384 sec
 273 Waiting for     0.0401 sec
 274 Waiting for     0.0390 sec
 275 Waiting for     0.0395 sec
 276 #OVERLAP evdw > 1d10   1.00000E+20
 277  #OVERLAPing residues             6
 278    2  25   3  22   9  20
 279  #OVERLAPing all corrected after             1  random generation
 280 #OVERLAP evdw after   2.63293E+21
 281 Waiting for     0.0380 sec
 282 Waiting for     0.0380 sec
 283 Waiting for     1.4603 sec
 284 #OVERLAP evdw > 1d10   1.00000E+20
 285  #OVERLAPing residues             4
 286   15  27  17  25
 287  #OVERLAPing all corrected after             3  random generation
 288 #OVERLAP evdw after   1.35267E+16
 289 Waiting for     0.0006 sec
 290 #OVERLAP evdw > 1d10   1.00000E+20
 291  #OVERLAPing residues             3
 292    6  17   7
 293  #OVERLAPing all corrected after            17  random generation
 294 #OVERLAP evdw after   4.49407E+14
 295 Waiting for     0.0006 sec
 296 Waiting for     0.0387 sec
 297 Waiting for     0.0383 sec
 298 Waiting for     0.0387 sec
 299 Waiting for     0.0381 sec
 300 Waiting for     0.0388 sec
 301 Waiting for     0.0393 sec
 302 Waiting for     0.0386 sec
 303 Waiting for     0.0006 sec
 304 #OVERLAP evdw > 1d10   1.00000E+20
 305  #OVERLAPing residues             2
 306   12  22
 307  #OVERLAPing all corrected after             1  random generation
 308 #OVERLAP evdw after   1.93067E+04
 309 Waiting for     0.0383 sec
 310 Waiting for     0.0385 sec
 311 Waiting for     0.0381 sec
 312 Waiting for     0.0387 sec
 313 Waiting for     0.0387 sec
 314 #OVERLAP evdw > 1d10   1.00000E+20
 315  #OVERLAPing residues             2
 316   17  23
 317  #OVERLAPing all corrected after             1  random generation
 318 #OVERLAP evdw after   2.81708E+10
 319 Waiting for     0.0379 sec
 320 #OVERLAP evdw > 1d10   1.00000E+20
 321  #OVERLAPing residues             2
 322    5  14
 323  #OVERLAPing all corrected after             2  random generation
 324 #OVERLAP evdw after   3.44713E+12
 325 Waiting for     0.0392 sec
 326 Waiting for     0.0007 sec
 327 #OVERLAP evdw > 1d10   1.00000E+20
 328  #OVERLAPing residues             2
 329    4  26
 330  #OVERLAPing all corrected after             1  random generation
 331 #OVERLAP evdw after   1.27278E+04
 332 Waiting for     0.0860 sec
 333 Waiting for     1.2710 sec
 334 Waiting for     0.0392 sec
 335 #OVERLAP evdw > 1d10   1.00000E+20
 336  #OVERLAPing residues             2
 337    9  25
 338  #OVERLAPing all corrected after             2  random generation
 339 #OVERLAP evdw after   8.45669E+13
 340 Waiting for     0.0391 sec
 341 Waiting for     0.0380 sec
 342 #OVERLAP evdw > 1d10   1.00000E+20
 343  #OVERLAPing residues             2
 344    7  21
 345  #OVERLAPing all corrected after             2  random generation
 346 #OVERLAP evdw after   5.21137E+14
 347 Waiting for     0.0381 sec
 348 Waiting for     0.0378 sec
 349 Waiting for     0.0384 sec
 350 Waiting for     0.0388 sec
 351 Waiting for     0.0382 sec
 352 Waiting for     0.0397 sec
 353 Waiting for     0.0383 sec
 354 #OVERLAP evdw > 1d10   1.00000E+20
 355  #OVERLAPing residues             2
 356    7  26
 357  #OVERLAPing all corrected after             1  random generation
 358 #OVERLAP evdw after   9.48329E+19
 359 Waiting for     0.0382 sec
 360 Waiting for     0.3200 sec
 361 Waiting for     0.0005 sec
 362 Waiting for     0.0390 sec
 363 Waiting for     0.0007 sec
 364 Waiting for     0.0381 sec
 365 Waiting for     0.0395 sec
 366 Waiting for     0.0392 sec
 367 Waiting for     0.0390 sec
 368 Waiting for     0.0392 sec
 369 #OVERLAP evdw > 1d10   2.71397E+25
 370  #OVERLAPing residues             0
 371
 372  #OVERLAPing all corrected after             1  random generation
 373 #OVERLAP evdw after   2.71397E+25
 374 Waiting for     0.0383 sec
 375 Waiting for     0.0396 sec
 376 Waiting for     0.9948 sec
 377 Waiting for     0.0006 sec
 378 Waiting for     0.0388 sec
 379 #OVERLAP evdw > 1d10   1.00000E+20
 380  #OVERLAPing residues             2
 381    6  23
 382  #OVERLAPing all corrected after            11  random generation
 383 #OVERLAP evdw after   1.00363E+23
 384 Waiting for     0.0387 sec
 385 Waiting for     0.0380 sec
 386 Waiting for     0.0381 sec
 387 Waiting for     0.0397 sec
 388 Waiting for     0.0390 sec
 389 #OVERLAP evdw > 1d10   1.00000E+20
 390  #OVERLAPing residues             2
 391    2  25
 392  #OVERLAPing all corrected after             1  random generation
 393 #OVERLAP evdw after  -1.28270E+01
 394 Waiting for     0.0394 sec
 395 #OVERLAP evdw > 1d10   1.00000E+20
 396  #OVERLAPing residues             2
 397    9  29
 398  #OVERLAPing all corrected after             1  random generation
 399 #OVERLAP evdw after   1.80081E+09
 400 Waiting for     0.0182 sec
 401 Waiting for     1.8622 sec
 402 #OVERLAP evdw > 1d10   1.00000E+20
 403  #OVERLAPing residues             2
 404    9  25
 405  #OVERLAPing all corrected after             1  random generation
 406 #OVERLAP evdw after   5.00969E+17
 407 Waiting for     0.0010 sec
 408 Waiting for     0.0396 sec
 409 Waiting for     0.0393 sec
 410 #OVERLAP evdw > 1d10   1.00000E+20
 411  #OVERLAPing residues             2
 412   13  17
 413  #OVERLAPing all corrected after             1  random generation
 414 #OVERLAP evdw after   3.71329E+05
 415 Waiting for     0.0389 sec
 416 Waiting for     0.0390 sec
 417 Waiting for     0.0381 sec
 418 Waiting for     0.0764 sec
 419 Waiting for     0.0389 sec
 420 #OVERLAP evdw > 1d10   1.00000E+20
 421  #OVERLAPing residues             2
 422    6  29
 423  #OVERLAPing all corrected after             1  random generation
 424 #OVERLAP evdw after   4.61464E+23
 425 Waiting for     0.0571 sec
 426 Waiting for     0.0386 sec
 427 #OVERLAP evdw > 1d10   1.00000E+20
 428  #OVERLAPing residues             2
 429    8  20
 430  #OVERLAPing all corrected after             1  random generation
 431 #OVERLAP evdw after   2.04377E+08
 432 Waiting for     0.0384 sec
 433 Waiting for     0.0392 sec
 434 Waiting for     0.0392 sec
 435 #OVERLAP evdw > 1d10   1.00000E+20
 436  #OVERLAPing residues             2
 437   14  21
 438  #OVERLAPing all corrected after             1  random generation
 439 #OVERLAP evdw after   1.79086E+04
 440 Waiting for     0.0383 sec
 441 #OVERLAP evdw > 1d10   1.00000E+20
 442  #OVERLAPing residues             2
 443   14  22
 444  #OVERLAPing all corrected after             2  random generation
 445 #OVERLAP evdw after   5.79447E+10
 446 Waiting for     0.0007 sec
 447 #OVERLAP evdw > 1d10   1.00000E+20
 448  #OVERLAPing residues             2
 449   14  23
 450  #OVERLAPing all corrected after             1  random generation
 451 #OVERLAP evdw after   3.42397E+03
 452 Waiting for     0.0393 sec
 453 Waiting for     0.0386 sec
 454 Waiting for     0.0765 sec
 455 Waiting for     0.0392 sec
 456 Waiting for     0.0395 sec
 457 Waiting for     0.0392 sec
 458 Waiting for     0.0384 sec
 459 Waiting for     0.0390 sec
 460 Waiting for     0.0393 sec
 461 Waiting for     1.2982 sec
 462 Waiting for     0.0006 sec
 463 Waiting for     0.0391 sec
 464 Waiting for     0.0387 sec
 465 Waiting for     0.0383 sec
 466 Waiting for     0.0387 sec
 467 #OVERLAP evdw > 1d10   1.00000E+20
 468  #OVERLAPing residues             2
 469    7  21
 470  #OVERLAPing all corrected after            13  random generation
 471 #OVERLAP evdw after   5.94479E+12
 472 Waiting for     0.0395 sec
 473 #OVERLAP evdw > 1d10   1.00000E+20
 474  #OVERLAPing residues             3
 475    4  11  12
 476  #OVERLAPing all corrected after             1  random generation
 477 #OVERLAP evdw after   2.35769E+14
 478 Waiting for     0.0006 sec
 479 #OVERLAP evdw > 1d10   1.00000E+20
 480  #OVERLAPing residues             6
 481    5  22   6  23  11  25
 482  #OVERLAPing all corrected after             7  random generation
 483 #OVERLAP evdw after   4.23821E+16
 484 Waiting for     0.0385 sec
 485 Waiting for     0.0396 sec
 486 Waiting for     0.0394 sec
 487 #OVERLAP evdw > 1d10   1.00000E+20
 488  #OVERLAPing residues             4
 489    4  15   7  21
 490  #OVERLAPing all corrected after             1  random generation
 491 #OVERLAP evdw after   1.20975E+12
 492 Waiting for     0.0392 sec
 493 Waiting for     0.0751 sec
 494 Waiting for     0.0396 sec
 495 Waiting for     0.5227 sec
 496 Waiting for     0.0186 sec
 497 Waiting for     0.0389 sec
 498 Waiting for     0.0381 sec
 499 Waiting for     0.0389 sec
 500 Waiting for     0.0381 sec
 501 #OVERLAP evdw > 1d10   1.00000E+20
 502  #OVERLAPing residues             2
 503   10  20
 504  #OVERLAPing NOT all corrected             2
 505   10  20
 506 #OVERLAP evdw after   1.00000E+20
 507 Waiting for     0.0384 sec
 508 #OVERLAP evdw > 1d10   1.00000E+20
 509  #OVERLAPing residues             3
 510    7  23  24
 511  #OVERLAPing NOT all corrected             2
 512    7  23
 513 #OVERLAP evdw after   1.00000E+20
 514 Waiting for     0.0388 sec
 515 Waiting for     0.0379 sec
 516 #OVERLAP evdw > 1d10   1.00000E+20
 517  #OVERLAPing residues             2
 518    7  17
 519  #OVERLAPing all corrected after             1  random generation
 520 #OVERLAP evdw after   9.88802E+08
 521 Waiting for     0.0389 sec
 522 Waiting for     0.0007 sec
 523 #OVERLAP evdw > 1d10   1.00000E+20
 524  #OVERLAPing residues             2
 525   10  25
 526  #OVERLAPing all corrected after             4  random generation
 527 #OVERLAP evdw after   4.17446E+13
 528 Waiting for     0.0386 sec
 529 #OVERLAP evdw > 1d10   1.00000E+20
 530  #OVERLAPing residues             2
 531   16  17
 532  #OVERLAPing all corrected after             1  random generation
 533 #OVERLAP evdw after  -2.56568E-01
 534 Waiting for     0.0396 sec
 535 Waiting for     0.0391 sec
 536 Waiting for     0.0381 sec
 537 Waiting for     0.0393 sec
 538 Waiting for     0.0468 sec
 539 #OVERLAP evdw > 1d10   1.00000E+20
 540  #OVERLAPing residues             3
 541    4  14   5
 542  #OVERLAPing all corrected after           178  random generation
 543 #OVERLAP evdw after   1.08700E+28
 544 Waiting for     0.0397 sec
 545 Waiting for     0.0380 sec
 546 Waiting for     1.0574 sec
 547 Waiting for     0.0007 sec
 548 #OVERLAP evdw > 1d10   1.00000E+20
 549  #OVERLAPing residues             2
 550   12  23
 551  #OVERLAPing all corrected after             2  random generation
 552 #OVERLAP evdw after   6.91878E+10
 553 Waiting for     0.0381 sec
 554 #OVERLAP evdw > 1d10   1.00000E+20
 555  #OVERLAPing residues             2
 556    4  24
 557  #OVERLAPing all corrected after             1  random generation
 558 #OVERLAP evdw after   4.10844E+02
 559 Waiting for     0.0623 sec
 560 #OVERLAP evdw > 1d10   1.00000E+20
 561  #OVERLAPing residues             2
 562    3  27
 563  #OVERLAPing all corrected after             1  random generation
 564 #OVERLAP evdw after   2.81033E+07
 565 Waiting for     1.4602 sec
 566 #OVERLAP evdw > 1d10   1.00000E+20
 567  #OVERLAPing residues             2
 568    4  23
 569  #OVERLAPing all corrected after             7  random generation
 570 #OVERLAP evdw after   5.19066E+15
 571 Waiting for     0.0006 sec
 572 Waiting for     0.0387 sec
 573 Waiting for     0.0348 sec
 574 Waiting for     0.0564 sec
 575 Waiting for     0.0386 sec
 576 Waiting for     0.0385 sec
 577 Waiting for     0.0380 sec
 578 Waiting for     0.0509 sec
 579 #OVERLAP evdw > 1d10   1.00000E+20
 580  #OVERLAPing residues             2
 581   20  27
 582  #OVERLAPing all corrected after             1  random generation
 583 #OVERLAP evdw after   1.00773E+02
 584 Waiting for     0.0394 sec
 585 Waiting for     0.0382 sec
 586 Waiting for     0.0382 sec
 587 Waiting for     0.0389 sec
 588 Waiting for     0.0552 sec
 589 Waiting for     0.0390 sec
 590 #OVERLAP evdw > 1d10   1.00000E+20
 591  #OVERLAPing residues             4
 592    4  23   8  27
 593  #OVERLAPing all corrected after           131  random generation
 594 #OVERLAP evdw after   2.67525E+12
 595 Waiting for     0.0388 sec
 596 Waiting for     0.0397 sec
 597 Waiting for     0.0379 sec
 598 Waiting for     0.0389 sec
 599 #OVERLAP evdw > 1d10   1.00000E+20
 600  #OVERLAPing residues             2
 601    4  23
 602  #OVERLAPing all corrected after             1  random generation
 603 #OVERLAP evdw after   6.69388E+18
 604 Waiting for     0.0383 sec
 605 Waiting for     1.4413 sec
 606 #OVERLAP evdw > 1d10   1.00000E+20
 607  #OVERLAPing residues             2
 608    7  25
 609  #OVERLAPing all corrected after             2  random generation
 610 #OVERLAP evdw after   8.68172E+03
 611 Waiting for     0.0006 sec
 612 Waiting for     0.0381 sec
 613 #OVERLAP evdw > 1d10   1.00000E+20
 614  #OVERLAPing residues             4
 615    7  19  14  17
 616  #OVERLAPing all corrected after             1  random generation
 617 #OVERLAP evdw after   5.76852E+11
 618 Waiting for     0.0391 sec
 619 Waiting for     0.0392 sec
 620 Waiting for     0.0386 sec
 621 #OVERLAP evdw > 1d10   1.00000E+20
 622  #OVERLAPing residues             3
 623    7  25   8
 624  #OVERLAPing all corrected after             2  random generation
 625 #OVERLAP evdw after   4.16608E+18
 626 Waiting for     0.0550 sec
 627 Waiting for     1.0980 sec
 628 #OVERLAP evdw > 1d10   5.18713E+34
 629  #OVERLAPing residues             0
 630
 631  #OVERLAPing all corrected after             1  random generation
 632 #OVERLAP evdw after   5.18713E+34
 633 Waiting for     0.0260 sec
 634 Waiting for     0.0384 sec
 635 #OVERLAP evdw > 1d10   1.00000E+20
 636  #OVERLAPing residues             2
 637    4  18
 638  #OVERLAPing all corrected after             2  random generation
 639 #OVERLAP evdw after   1.12280E+04
 640 Waiting for     0.0379 sec
 641 Waiting for     0.0399 sec
 642 Waiting for     0.0391 sec
 643 #OVERLAP evdw > 1d10   1.00000E+20
 644  #OVERLAPing residues             2
 645   17  19
 646  #OVERLAPing all corrected after             1  random generation
 647 #OVERLAP evdw after  -2.87905E+01
 648 Waiting for     0.0390 sec
 649 #OVERLAP evdw > 1d10   1.00000E+20
 650  #OVERLAPing residues             2
 651   13  29
 652  #OVERLAPing all corrected after             1  random generation
 653 #OVERLAP evdw after   5.00583E+03
 654 Waiting for     0.0381 sec
 655 #OVERLAP evdw > 1d10   1.00000E+20
 656  #OVERLAPing residues             2
 657   11  25
 658  #OVERLAPing all corrected after             2  random generation
 659 #OVERLAP evdw after   1.21372E+16
 660 Waiting for     0.0388 sec
 661 Waiting for     0.0394 sec
 662 Waiting for     0.0379 sec
 663 Waiting for     0.0394 sec
 664 Waiting for     0.0394 sec
 665 Waiting for     0.0402 sec
 666 Waiting for     0.0847 sec
 667 Waiting for     0.0005 sec
 668 #OVERLAP evdw > 1d10   1.00000E+20
 669  #OVERLAPing residues             2
 670    9  28
 671  #OVERLAPing all corrected after             1  random generation
 672 #OVERLAP evdw after   4.34533E+10
 673 Waiting for     0.0399 sec
 674 Waiting for     0.0390 sec
 675 Waiting for     0.0395 sec
 676 Waiting for     0.6327 sec
 677 Waiting for     0.0006 sec
 678 Waiting for     0.0390 sec
 679 Waiting for     0.0386 sec
 680 Waiting for     0.1257 sec
 681 Waiting for     0.0007 sec
 682 #OVERLAP evdw > 1d10   1.00000E+20
 683  #OVERLAPing residues             4
 684    9  26  11  25
 685  #OVERLAPing all corrected after             1  random generation
 686 #OVERLAP evdw after   1.21134E+08
 687 Waiting for     0.0385 sec
 688 #OVERLAP evdw > 1d10   1.00000E+20
 689  #OVERLAPing residues             2
 690   13  27
 691  #OVERLAPing all corrected after             1  random generation
 692 #OVERLAP evdw after   4.56920E+08
 693 Waiting for     0.0006 sec
 694 Waiting for     0.0385 sec
 695 Waiting for     0.0700 sec
 696 Waiting for     0.0393 sec
 697 Waiting for     0.0385 sec
 698 #OVERLAP evdw > 1d10   1.00000E+20
 699  #OVERLAPing residues             2
 700    9  27
 701  #OVERLAPing all corrected after             1  random generation
 702 #OVERLAP evdw after   1.64845E+09
 703 Waiting for     0.0386 sec
 704 Waiting for     0.0397 sec
 705 Waiting for     1.3578 sec
 706 Waiting for     0.0004 sec
 707 #OVERLAP evdw > 1d10   1.00000E+20
 708  #OVERLAPing residues             2
 709   24  27
 710  #OVERLAPing all corrected after             1  random generation
 711 #OVERLAP evdw after  -3.50880E+01
 712 Waiting for     0.0105 sec
 713 Waiting for     0.0381 sec
 714 Waiting for     0.0391 sec
 715 #OVERLAP evdw > 1d10   1.00000E+20
 716  #OVERLAPing residues             2
 717   11  25
 718  #OVERLAPing all corrected after             2  random generation
 719 #OVERLAP evdw after   3.16638E+10
 720 Waiting for     0.0384 sec
 721 Waiting for     0.0396 sec
 722 Waiting for     0.0395 sec
 723 Waiting for     0.0396 sec
 724 Waiting for     0.0388 sec
 725 Waiting for     0.0006 sec
 726 Waiting for     0.2445 sec
 727 Waiting for     0.0215 sec
 728 #OVERLAP evdw > 1d10   1.00000E+20
 729  #OVERLAPing residues             2
 730   17  27
 731  #OVERLAPing all corrected after             1  random generation
 732 #OVERLAP evdw after   2.11230E+09
 733 Waiting for     0.0389 sec
 734 #OVERLAP evdw > 1d10   1.00000E+20
 735  #OVERLAPing residues             4
 736    7  23  14  27
 737  #OVERLAPing all corrected after             1  random generation
 738 #OVERLAP evdw after   6.84343E+05
 739 Waiting for     0.0384 sec
 740 #OVERLAP evdw > 1d10   1.00000E+20
 741  #OVERLAPing residues             4
 742    5  22   8  20
 743  #OVERLAPing all corrected after             8  random generation
 744 #OVERLAP evdw after   4.20313E+10
 745 Waiting for     0.0392 sec
 746 Waiting for     0.0382 sec
 747 Waiting for     0.1903 sec
 748 Waiting for     0.0006 sec
 749 Waiting for     0.0391 sec
 750 Waiting for     0.0386 sec
 751 Waiting for     0.0398 sec
 752 Waiting for     0.0397 sec
 753 Waiting for     0.0394 sec
 754 Waiting for     0.0383 sec
 755 #OVERLAP evdw > 1d10   1.00000E+20
 756  #OVERLAPing residues             8
 757    5  23   7  25   9  27  11  13
 758  #OVERLAPing all corrected after             7  random generation
 759 #OVERLAP evdw after   4.67952E+15
 760 Waiting for     0.0395 sec
 761 Waiting for     0.0392 sec
 762 Waiting for     0.0349 sec
 763 Waiting for     0.0385 sec
 764 Waiting for     0.0385 sec
 765 Waiting for     0.0392 sec
 766 Waiting for     0.0389 sec
 767 Waiting for     0.0542 sec
 768 Waiting for     0.0387 sec
 769 Waiting for     0.0381 sec
 770 #OVERLAP evdw > 1d10   1.00000E+20
 771  #OVERLAPing residues             2
 772    5  25
 773  #OVERLAPing all corrected after             1  random generation
 774 #OVERLAP evdw after   1.02371E+10
 775 Waiting for     0.0005 sec
 776 #OVERLAP evdw > 1d10   1.00000E+20
 777  #OVERLAPing residues             2
 778    9  23
 779  #OVERLAPing all corrected after            33  random generation
 780 #OVERLAP evdw after   1.69660E+14
 781 Waiting for     0.0393 sec
 782 Waiting for     0.0393 sec
 783 Waiting for     0.0379 sec
 784 Waiting for     0.0390 sec
 785 Waiting for     0.0390 sec
 786 Waiting for     1.5917 sec
 787 Waiting for     0.0004 sec
 788 Waiting for     0.0007 sec
 789 Waiting for     0.0384 sec
 790 Waiting for     0.0385 sec
 791 Waiting for     0.0396 sec
 792 Waiting for     0.0392 sec
 793 Waiting for     0.0389 sec
 794 Waiting for     0.0380 sec
 795 Waiting for     2.3479 sec
 796 #OVERLAP evdw > 1d10   1.00000E+20
 797  #OVERLAPing residues             2
 798   17  26
 799  #OVERLAPing all corrected after             2  random generation
 800 #OVERLAP evdw after   4.36661E+07
 801 Waiting for     0.0007 sec
 802 Waiting for     0.0137 sec
 803 Waiting for     0.0390 sec
 804 Waiting for     0.0384 sec
 805 Waiting for     0.6876 sec
 806 Waiting for     0.0006 sec
 807 Waiting for     0.0391 sec
 808 Waiting for     0.0393 sec
 809 Waiting for     0.0383 sec
 810 Waiting for     0.0317 sec
 811 Waiting for     0.0384 sec
 812 Waiting for     0.0385 sec
 813 #OVERLAP evdw > 1d10   1.00000E+20
 814  #OVERLAPing residues             2
 815    6  20
 816  #OVERLAPing all corrected after             1  random generation
 817 #OVERLAP evdw after   7.18712E+08
 818 Waiting for     0.0396 sec
 819 #OVERLAP evdw > 1d10   1.00000E+20
 820  #OVERLAPing residues             4
 821    6  23  17  19
 822  #OVERLAPing NOT all corrected             2
 823    6  23
 824 #OVERLAP evdw after   1.00000E+20
 825 Waiting for     0.0397 sec
 826 Waiting for     0.0391 sec
 827 Waiting for     0.0386 sec
 828 Waiting for     0.0385 sec
 829 #OVERLAP evdw > 1d10   1.00000E+20
 830  #OVERLAPing residues             4
 831    5  22  14  20
 832  #OVERLAPing all corrected after             1  random generation
 833 #OVERLAP evdw after   1.08088E+12
 834 Waiting for     0.0007 sec
 835 Waiting for     0.0382 sec
 836 #OVERLAP evdw > 1d10   1.00000E+20
 837  #OVERLAPing residues             4
 838    7  27   9  29
 839  #OVERLAPing all corrected after             1  random generation
 840 #OVERLAP evdw after   7.36440E+04
 841 Waiting for     0.0391 sec
 842 Waiting for     1.3907 sec
 843 #OVERLAP evdw > 1d10   1.00000E+20
 844  #OVERLAPing residues             2
 845    6  13
 846  #OVERLAPing all corrected after             1  random generation
 847 #OVERLAP evdw after   2.48019E+14
 848 Waiting for     0.0007 sec
 849 Waiting for     0.0382 sec
 850 Waiting for     0.0385 sec
 851 #OVERLAP evdw > 1d10   1.00000E+20
 852  #OVERLAPing residues             2
 853    7  22
 854  #OVERLAPing all corrected after             1  random generation
 855 #OVERLAP evdw after   1.09725E+09
 856 Waiting for     0.0388 sec
 857 Waiting for     0.0016 sec
 858 Waiting for     0.0383 sec
 859 Waiting for     0.0387 sec
 860 #OVERLAP evdw > 1d10   1.00000E+20
 861  #OVERLAPing residues             3
 862    5  20  11
 863  #OVERLAPing all corrected after            20  random generation
 864 #OVERLAP evdw after   8.31963E+12
 865 Waiting for     0.0387 sec
 866 Waiting for     0.0427 sec
 867 Waiting for     0.0384 sec
 868 Waiting for     0.0383 sec
 869 Waiting for     0.0390 sec
 870 #OVERLAP evdw > 1d10   1.00000E+20
 871  #OVERLAPing residues             2
 872    2  27
 873  #OVERLAPing all corrected after             1  random generation
 874 #OVERLAP evdw after   2.24851E+01
 875 Waiting for     0.0399 sec
 876 Waiting for     0.0007 sec
 877 #OVERLAP evdw > 1d10   1.00000E+20
 878  #OVERLAPing residues             2
 879    9  21
 880  #OVERLAPing all corrected after             1  random generation
 881 #OVERLAP evdw after   7.25824E+08
 882 Waiting for     0.0389 sec
 883 Waiting for     0.0382 sec
 884 #OVERLAP evdw > 1d10   1.00000E+20
 885  #OVERLAPing residues             2
 886    9  23
 887  #OVERLAPing all corrected after             1  random generation
 888 #OVERLAP evdw after   7.37673E+07
 889 Waiting for     0.0391 sec
 890 Waiting for     1.3737 sec
 891 #OVERLAP evdw > 1d10   1.00000E+20
 892  #OVERLAPing residues             2
 893    3  11
 894  #OVERLAPing all corrected after             1  random generation
 895 #OVERLAP evdw after   1.27389E+05
 896 Waiting for     0.0007 sec
 897 Waiting for     0.0512 sec
 898 Waiting for     0.0391 sec
 899 Waiting for     0.0006 sec
 900 Waiting for     0.0392 sec
 901 Waiting for     0.0380 sec
 902 Waiting for     0.0385 sec
 903 Waiting for     0.0397 sec
 904 Waiting for     0.0396 sec
 905 #OVERLAP evdw > 1d10   1.00000E+20
 906  #OVERLAPing residues             2
 907    2  25
 908  #OVERLAPing all corrected after             8  random generation
 909 #OVERLAP evdw after   2.38316E+07
 910 Waiting for     0.0385 sec
 911 Waiting for     0.0395 sec
 912 Waiting for     0.0380 sec
 913 Waiting for     0.0008 sec
 914 Waiting for     0.0393 sec
 915 Waiting for     0.0386 sec
 916 Waiting for     0.0379 sec
 917 Waiting for     0.0385 sec
 918  End of minim, proc            5 time     3405.147114000000
 919 Processor   5 is finishing work.
 920  Total time    3435.743033000000       sec