examples/unres/CSA/CASP5/CSA/run1/output/1fsd_CASP5.out_GB004

   1 --------------------------------------------------------------------------------
   2                               FILE ASSIGNMENT
   3 --------------------------------------------------------------------------------
   4  Input file                      : 1fsd_CASP5.inp
   5  Output file                     : 1fsd_CASP5.out_GB004
   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=             4  iseed(4)=             0            0           -3
  47        -27716
  48  ran_num   0.5801973938941956
  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     1.3264 sec
 146 Waiting for     0.0006 sec
 147 Waiting for     1.2148 sec
 148 #OVERLAP evdw > 1d10   1.00000E+20
 149  #OVERLAPing residues             2
 150   11  23
 151  #OVERLAPing all corrected after             1  random generation
 152 #OVERLAP evdw after   3.02461E+18
 153 Waiting for     0.0380 sec
 154 Waiting for     0.0386 sec
 155 #OVERLAP evdw > 1d10   1.00000E+20
 156  #OVERLAPing residues             2
 157    4  17
 158  #OVERLAPing all corrected after             1  random generation
 159 #OVERLAP evdw after   4.50522E+19
 160 Waiting for     0.0393 sec
 161 #OVERLAP evdw > 1d10   1.00000E+20
 162  #OVERLAPing residues             2
 163    5  17
 164  #OVERLAPing all corrected after             1  random generation
 165 #OVERLAP evdw after   2.58414E+13
 166 Waiting for     0.0397 sec
 167 #OVERLAP evdw > 1d10   1.00000E+20
 168  #OVERLAPing residues             2
 169    4  22
 170  #OVERLAPing all corrected after             2  random generation
 171 #OVERLAP evdw after   3.13144E+08
 172 Waiting for     0.0382 sec
 173 Waiting for     0.0386 sec
 174 Waiting for     0.0588 sec
 175 Waiting for     0.0379 sec
 176 #OVERLAP evdw > 1d10   1.00000E+20
 177  #OVERLAPing residues             2
 178    7  26
 179  #OVERLAPing all corrected after             1  random generation
 180 #OVERLAP evdw after   1.43773E+05
 181 Waiting for     0.9836 sec
 182 #OVERLAP evdw > 1d10   1.00000E+20
 183  #OVERLAPing residues             2
 184   15  17
 185  #OVERLAPing all corrected after             2  random generation
 186 #OVERLAP evdw after   1.04144E+03
 187 Waiting for     0.0384 sec
 188 Waiting for     0.0390 sec
 189 Waiting for     0.0386 sec
 190 Waiting for     0.0386 sec
 191 Waiting for     0.0384 sec
 192 Waiting for     0.0394 sec
 193 Waiting for     0.0143 sec
 194 Waiting for     0.0394 sec
 195 Waiting for     0.0385 sec
 196 Waiting for     0.0382 sec
 197 Waiting for     0.8310 sec
 198 Waiting for     0.0004 sec
 199 Waiting for     0.0385 sec
 200 Waiting for     0.0395 sec
 201 Waiting for     0.0392 sec
 202 Waiting for     0.0007 sec
 203 Waiting for     0.0384 sec
 204 Waiting for     0.0615 sec
 205 #OVERLAP evdw > 1d10   1.00000E+20
 206  #OVERLAPing residues             3
 207   11  27  12
 208  #OVERLAPing all corrected after             1  random generation
 209 #OVERLAP evdw after   3.63902E+14
 210 Waiting for     0.0379 sec
 211 Waiting for     0.0386 sec
 212 #OVERLAP evdw > 1d10   1.54013E+21
 213  #OVERLAPing residues             0
 214
 215  #OVERLAPing all corrected after             1  random generation
 216 #OVERLAP evdw after   1.54013E+21
 217 Waiting for     0.0384 sec
 218 #OVERLAP evdw > 1d10   1.00000E+20
 219  #OVERLAPing residues             5
 220    4  26  27   5   7
 221  #OVERLAPing all corrected after             8  random generation
 222 #OVERLAP evdw after   7.62481E+28
 223 Waiting for     0.0382 sec
 224 Waiting for     0.0385 sec
 225 Waiting for     0.0006 sec
 226 #OVERLAP evdw > 1d10   1.00000E+20
 227  #OVERLAPing residues             3
 228    7  27   8
 229  #OVERLAPing all corrected after            10  random generation
 230 #OVERLAP evdw after   8.12726E+10
 231 Waiting for     0.0395 sec
 232 #OVERLAP evdw > 1d10   1.00000E+20
 233  #OVERLAPing residues             2
 234    7  29
 235  #OVERLAPing all corrected after             1  random generation
 236 #OVERLAP evdw after   1.89223E+05
 237 Waiting for     0.0381 sec
 238 #OVERLAP evdw > 1d10   1.00000E+20
 239  #OVERLAPing residues             4
 240    7  23   8  22
 241  #OVERLAPing all corrected after             1  random generation
 242 #OVERLAP evdw after   6.17369E+09
 243 Waiting for     0.0398 sec
 244 Waiting for     0.0473 sec
 245 #OVERLAP evdw > 1d10   1.00000E+20
 246  #OVERLAPing residues             4
 247    4   8   5  22
 248  #OVERLAPing all corrected after            29  random generation
 249 #OVERLAP evdw after   4.66439E+30
 250 Waiting for     0.0386 sec
 251 Waiting for     0.0535 sec
 252 Waiting for     0.0395 sec
 253 Waiting for     0.0007 sec
 254 Waiting for     0.0388 sec
 255 Waiting for     0.0392 sec
 256 Waiting for     0.0582 sec
 257 #OVERLAP evdw > 1d10   1.00000E+20
 258  #OVERLAPing residues             2
 259   16  22
 260  #OVERLAPing all corrected after             1  random generation
 261 #OVERLAP evdw after   2.03578E+04
 262 Waiting for     0.0386 sec
 263 Waiting for     0.0379 sec
 264 Waiting for     0.0382 sec
 265 Waiting for     0.0378 sec
 266 Waiting for     0.0386 sec
 267 Waiting for     0.0391 sec
 268 Waiting for     0.0378 sec
 269 Waiting for     0.0381 sec
 270 Waiting for     1.4931 sec
 271 Waiting for     0.0008 sec
 272 Waiting for     0.0386 sec
 273 Waiting for     0.0386 sec
 274 Waiting for     0.0389 sec
 275 #OVERLAP evdw > 1d10   1.00000E+20
 276  #OVERLAPing residues             2
 277    9  22
 278  #OVERLAPing all corrected after             2  random generation
 279 #OVERLAP evdw after   6.77658E+22
 280 Waiting for     0.0006 sec
 281 Waiting for     0.0386 sec
 282 Waiting for     0.7306 sec
 283 #OVERLAP evdw > 1d10   1.00000E+20
 284  #OVERLAPing residues             2
 285   20  25
 286  #OVERLAPing all corrected after             1  random generation
 287 #OVERLAP evdw after   1.55360E+03
 288 Waiting for     0.0472 sec
 289 #OVERLAP evdw > 1d10   1.00000E+20
 290  #OVERLAPing residues             4
 291    6  17   9  21
 292  #OVERLAPing all corrected after             2  random generation
 293 #OVERLAP evdw after   3.14489E+04
 294 Waiting for     0.0446 sec
 295 #OVERLAP evdw > 1d10   1.00000E+20
 296  #OVERLAPing residues             2
 297    9  11
 298  #OVERLAPing all corrected after             1  random generation
 299 #OVERLAP evdw after   9.98625E+11
 300 Waiting for     0.0007 sec
 301 Waiting for     0.0389 sec
 302 Waiting for     0.0396 sec
 303 #OVERLAP evdw > 1d10   1.00000E+20
 304  #OVERLAPing residues             2
 305    4  24
 306  #OVERLAPing all corrected after             1  random generation
 307 #OVERLAP evdw after   6.29964E+16
 308 Waiting for     0.0007 sec
 309 #OVERLAP evdw > 1d10   1.00000E+20
 310  #OVERLAPing residues             2
 311    5  25
 312  #OVERLAPing all corrected after             3  random generation
 313 #OVERLAP evdw after   1.41179E+11
 314 Waiting for     0.0380 sec
 315 #OVERLAP evdw > 1d10   1.00000E+20
 316  #OVERLAPing residues             2
 317    4  23
 318  #OVERLAPing all corrected after             1  random generation
 319 #OVERLAP evdw after   5.84677E+09
 320 Waiting for     0.0380 sec
 321 Waiting for     0.0385 sec
 322 Waiting for     0.0385 sec
 323 Waiting for     0.0395 sec
 324 Waiting for     0.0384 sec
 325 Waiting for     0.0379 sec
 326 Waiting for     0.0406 sec
 327 Waiting for     0.0397 sec
 328 Waiting for     0.0392 sec
 329 Waiting for     0.0397 sec
 330 #OVERLAP evdw > 1d10   1.00000E+20
 331  #OVERLAPing residues             4
 332    3  24  12  27
 333  #OVERLAPing all corrected after             3  random generation
 334 #OVERLAP evdw after   1.29790E+13
 335 Waiting for     0.0384 sec
 336 Waiting for     0.0390 sec
 337 Waiting for     0.0382 sec
 338 Waiting for     0.0686 sec
 339 Waiting for     0.0395 sec
 340 Waiting for     0.0301 sec
 341 Waiting for     0.0387 sec
 342 Waiting for     0.0394 sec
 343 Waiting for     0.0395 sec
 344 Waiting for     0.0393 sec
 345 Waiting for     0.0395 sec
 346 Waiting for     0.0390 sec
 347 #OVERLAP evdw > 1d10   1.00000E+20
 348  #OVERLAPing residues             2
 349    4  13
 350  #OVERLAPing all corrected after             1  random generation
 351 #OVERLAP evdw after   2.20521E+08
 352 Waiting for     0.0381 sec
 353 #OVERLAP evdw > 1d10   1.00000E+20
 354  #OVERLAPing residues             4
 355    7  17   8  20
 356  #OVERLAPing all corrected after             1  random generation
 357 #OVERLAP evdw after   5.01809E+06
 358 Waiting for     0.0104 sec
 359 #OVERLAP evdw > 1d10   1.00000E+20
 360  #OVERLAPing residues             2
 361    5  27
 362  #OVERLAPing all corrected after             1  random generation
 363 #OVERLAP evdw after   7.49966E+17
 364 Waiting for     0.0393 sec
 365 Waiting for     0.0378 sec
 366 #OVERLAP evdw > 1d10   1.00000E+20
 367  #OVERLAPing residues             2
 368   12  27
 369  #OVERLAPing all corrected after             2  random generation
 370 #OVERLAP evdw after   9.13121E+05
 371 Waiting for     0.0399 sec
 372 #OVERLAP evdw > 1d10   1.00000E+20
 373  #OVERLAPing residues             2
 374   20  25
 375  #OVERLAPing all corrected after             1  random generation
 376 #OVERLAP evdw after   1.12490E+04
 377 Waiting for     0.0377 sec
 378 Waiting for     0.0386 sec
 379 Waiting for     0.0391 sec
 380 Waiting for     0.0385 sec
 381 #OVERLAP evdw > 1d10   1.00000E+20
 382  #OVERLAPing residues             2
 383    4  25
 384  #OVERLAPing all corrected after             1  random generation
 385 #OVERLAP evdw after   3.74488E+08
 386 Waiting for     0.0393 sec
 387 Waiting for     0.5654 sec
 388 Waiting for     0.0006 sec
 389 Waiting for     0.0380 sec
 390 #OVERLAP evdw > 1d10   1.00000E+20
 391  #OVERLAPing residues             2
 392    5  23
 393  #OVERLAPing all corrected after             1  random generation
 394 #OVERLAP evdw after   2.35099E+10
 395 Waiting for     0.0383 sec
 396 Waiting for     0.0393 sec
 397 Waiting for     0.0391 sec
 398 Waiting for     0.0400 sec
 399 #OVERLAP evdw > 1d10   3.64949E+22
 400  #OVERLAPing residues             0
 401
 402  #OVERLAPing all corrected after             1  random generation
 403 #OVERLAP evdw after   3.64949E+22
 404 Waiting for     0.0466 sec
 405 Waiting for     0.0008 sec
 406 Waiting for     0.0395 sec
 407 Waiting for     0.0393 sec
 408 #OVERLAP evdw > 1d10   1.00000E+20
 409  #OVERLAPing residues             2
 410    7  27
 411  #OVERLAPing all corrected after             1  random generation
 412 #OVERLAP evdw after   1.01543E+06
 413 Waiting for     0.0383 sec
 414 Waiting for     0.0390 sec
 415 Waiting for     0.0394 sec
 416 Waiting for     0.0396 sec
 417 Waiting for     0.0392 sec
 418 Waiting for     0.0012 sec
 419 Waiting for     1.5122 sec
 420 Waiting for     0.0165 sec
 421 Waiting for     0.0395 sec
 422 Waiting for     0.0484 sec
 423 Waiting for     0.0386 sec
 424 #OVERLAP evdw > 1d10   1.00000E+20
 425  #OVERLAPing residues             2
 426    8  17
 427  #OVERLAPing all corrected after             6  random generation
 428 #OVERLAP evdw after   2.15087E+09
 429 Waiting for     0.0393 sec
 430 Waiting for     0.0395 sec
 431 Waiting for     0.0381 sec
 432 #OVERLAP evdw > 1d10   1.00000E+20
 433  #OVERLAPing residues             2
 434    5  17
 435  #OVERLAPing NOT all corrected             2
 436    5  17
 437 #OVERLAP evdw after   1.00000E+20
 438 Waiting for     0.0389 sec
 439 #OVERLAP evdw > 1d10   1.00000E+20
 440  #OVERLAPing residues             8
 441    4  26   8  17   9  22  23  10
 442  #OVERLAPing NOT all corrected             5
 443    9  17  22  23  10
 444 #OVERLAP evdw after   1.00000E+20
 445 Waiting for     0.0392 sec
 446 #OVERLAP evdw > 1d10   1.06968E+33
 447  #OVERLAPing residues             0
 448
 449  #OVERLAPing all corrected after             1  random generation
 450 #OVERLAP evdw after   1.06968E+33
 451 Waiting for     0.0377 sec
 452 Waiting for     0.0378 sec
 453 Waiting for     0.0395 sec
 454 Waiting for     0.0398 sec
 455 Waiting for     0.5385 sec
 456 Waiting for     0.0008 sec
 457 Waiting for     0.0007 sec
 458 #OVERLAP evdw > 1d10   1.00000E+20
 459  #OVERLAPing residues             4
 460    7  14  24  27
 461  #OVERLAPing all corrected after             1  random generation
 462 #OVERLAP evdw after   6.93639E+05
 463 Waiting for     0.0382 sec
 464 Waiting for     0.0748 sec
 465 Waiting for     0.0388 sec
 466 Waiting for     0.0392 sec
 467 Waiting for     0.0393 sec
 468 Waiting for     0.0384 sec
 469 Waiting for     0.0387 sec
 470 Waiting for     0.0006 sec
 471 Waiting for     0.0393 sec
 472 Waiting for     0.0383 sec
 473 Waiting for     0.0383 sec
 474 Waiting for     0.0380 sec
 475 #OVERLAP evdw > 1d10   1.00000E+20
 476  #OVERLAPing residues             2
 477    4  20
 478  #OVERLAPing all corrected after             1  random generation
 479 #OVERLAP evdw after   5.67739E+09
 480 Waiting for     0.0386 sec
 481 Waiting for     0.0391 sec
 482 Waiting for     0.0387 sec
 483 Waiting for     0.0382 sec
 484 Waiting for     0.0007 sec
 485 Waiting for     0.0394 sec
 486 Waiting for     0.0390 sec
 487 Waiting for     0.0387 sec
 488 Waiting for     0.0387 sec
 489 Waiting for     0.0392 sec
 490 Waiting for     0.0383 sec
 491 Waiting for     0.0398 sec
 492 Waiting for     0.0006 sec
 493 #OVERLAP evdw > 1d10   1.34589E+22
 494  #OVERLAPing residues             0
 495
 496  #OVERLAPing all corrected after             1  random generation
 497 #OVERLAP evdw after   1.34589E+22
 498 Waiting for     0.0390 sec
 499 Waiting for     0.0387 sec
 500 Waiting for     0.0395 sec
 501 Waiting for     0.0381 sec
 502 Waiting for     0.0379 sec
 503 Waiting for     0.0393 sec
 504 Waiting for     0.0382 sec
 505 Waiting for     0.0006 sec
 506 Waiting for     0.0382 sec
 507 Waiting for     1.0753 sec
 508 Waiting for     0.0007 sec
 509 Waiting for     0.0397 sec
 510 Waiting for     0.0393 sec
 511 Waiting for     0.0392 sec
 512 Waiting for     0.0391 sec
 513 #OVERLAP evdw > 1d10   1.00000E+20
 514  #OVERLAPing residues             2
 515   20  24
 516  #OVERLAPing all corrected after             1  random generation
 517 #OVERLAP evdw after   5.32065E+13
 518 Waiting for     0.0387 sec
 519 Waiting for     0.0392 sec
 520 Waiting for     0.0396 sec
 521 Waiting for     0.0388 sec
 522 Waiting for     0.0395 sec
 523 Waiting for     0.0397 sec
 524 Waiting for     0.0384 sec
 525 Waiting for     0.0383 sec
 526 #OVERLAP evdw > 1d10   1.00000E+20
 527  #OVERLAPing residues             2
 528    7  17
 529  #OVERLAPing all corrected after             2  random generation
 530 #OVERLAP evdw after   1.06216E+05
 531 Waiting for     0.6720 sec
 532 Waiting for     0.0004 sec
 533 Waiting for     0.0387 sec
 534 #OVERLAP evdw > 1d10   1.00000E+20
 535  #OVERLAPing residues             2
 536    7  22
 537  #OVERLAPing all corrected after             1  random generation
 538 #OVERLAP evdw after   1.11050E+13
 539 Waiting for     0.0380 sec
 540 Waiting for     0.0386 sec
 541 Waiting for     0.0383 sec
 542 Waiting for     0.0397 sec
 543 Waiting for     0.0394 sec
 544 #OVERLAP evdw > 1d10   1.00000E+20
 545  #OVERLAPing residues             2
 546    9  26
 547  #OVERLAPing all corrected after             1  random generation
 548 #OVERLAP evdw after   2.73346E+06
 549 Waiting for     0.0394 sec
 550 Waiting for     0.0007 sec
 551 Waiting for     0.0392 sec
 552 #OVERLAP evdw > 1d10   1.00000E+20
 553  #OVERLAPing residues             2
 554   20  26
 555  #OVERLAPing all corrected after             3  random generation
 556 #OVERLAP evdw after   8.40078E+08
 557 Waiting for     0.0571 sec
 558 Waiting for     0.0393 sec
 559 Waiting for     0.0579 sec
 560 Waiting for     0.0388 sec
 561 Waiting for     0.0398 sec
 562 Waiting for     0.0383 sec
 563 Waiting for     0.0393 sec
 564 Waiting for     0.0732 sec
 565 Waiting for     0.0382 sec
 566 Waiting for     0.0633 sec
 567 Waiting for     0.0390 sec
 568 Waiting for     0.0386 sec
 569 Waiting for     0.0738 sec
 570 Waiting for     0.0385 sec
 571 Waiting for     0.0522 sec
 572 Waiting for     0.0007 sec
 573 #OVERLAP evdw > 1d10   1.00000E+20
 574  #OVERLAPing residues             4
 575    4  25  11  27
 576  #OVERLAPing all corrected after             7  random generation
 577 #OVERLAP evdw after   1.08002E+12
 578 Waiting for     0.0011 sec
 579 #OVERLAP evdw > 1d10   1.00000E+20
 580  #OVERLAPing residues             4
 581   14  17  19  25
 582  #OVERLAPing all corrected after             1  random generation
 583 #OVERLAP evdw after   1.38847E+19
 584 Waiting for     0.0384 sec
 585 Waiting for     0.2045 sec
 586 Waiting for     0.0283 sec
 587 Waiting for     0.0396 sec
 588 Waiting for     0.0243 sec
 589 Waiting for     0.0388 sec
 590 Waiting for     1.9692 sec
 591 Waiting for     0.0006 sec
 592 Waiting for     0.0385 sec
 593 Waiting for     0.0395 sec
 594 #OVERLAP evdw > 1d10   1.00000E+20
 595  #OVERLAPing residues             4
 596    4  18   7  22
 597  #OVERLAPing all corrected after             5  random generation
 598 #OVERLAP evdw after   8.15525E+10
 599 Waiting for     0.0386 sec
 600 Waiting for     0.0396 sec
 601 #OVERLAP evdw > 1d10   1.00000E+20
 602  #OVERLAPing residues             4
 603    7  25   8  24
 604  #OVERLAPing all corrected after             3  random generation
 605 #OVERLAP evdw after   2.75678E+27
 606 Waiting for     0.0386 sec
 607 Waiting for     0.0389 sec
 608 #OVERLAP evdw > 1d10   1.00000E+20
 609  #OVERLAPing residues             2
 610    8  22
 611  #OVERLAPing all corrected after             1  random generation
 612 #OVERLAP evdw after   7.75160E+04
 613 Waiting for     0.0384 sec
 614 Waiting for     0.0008 sec
 615 Waiting for     0.0382 sec
 616 Waiting for     0.5274 sec
 617 Waiting for     0.0007 sec
 618 #OVERLAP evdw > 1d10   1.00000E+20
 619  #OVERLAPing residues             2
 620    7  27
 621  #OVERLAPing all corrected after            20  random generation
 622 #OVERLAP evdw after   2.09928E+08
 623 Waiting for     0.0379 sec
 624 Waiting for     0.0380 sec
 625 Waiting for     0.0384 sec
 626 Waiting for     0.0390 sec
 627 Waiting for     0.1989 sec
 628 Waiting for     0.0005 sec
 629 Waiting for     0.0393 sec
 630 Waiting for     0.0378 sec
 631 Waiting for     0.0386 sec
 632 Waiting for     0.6076 sec
 633 Waiting for     0.0007 sec
 634 Waiting for     0.0380 sec
 635 #OVERLAP evdw > 1d10   1.00000E+20
 636  #OVERLAPing residues             2
 637    7  20
 638  #OVERLAPing all corrected after             2  random generation
 639 #OVERLAP evdw after   1.81881E+14
 640 Waiting for     0.0213 sec
 641 Waiting for     0.0390 sec
 642 #OVERLAP evdw > 1d10   1.00000E+20
 643  #OVERLAPing residues             2
 644   14  23
 645  #OVERLAPing all corrected after             1  random generation
 646 #OVERLAP evdw after   1.08385E+04
 647 Waiting for     0.0383 sec
 648 Waiting for     0.0392 sec
 649 #OVERLAP evdw > 1d10   1.00000E+20
 650  #OVERLAPing residues             2
 651    3  25
 652  #OVERLAPing all corrected after             1  random generation
 653 #OVERLAP evdw after   1.35637E+07
 654 Waiting for     0.0388 sec
 655 Waiting for     0.0391 sec
 656 #OVERLAP evdw > 1d10   1.00000E+20
 657  #OVERLAPing residues             2
 658    7  13
 659  #OVERLAPing all corrected after             1  random generation
 660 #OVERLAP evdw after   1.37216E+13
 661 Waiting for     0.0397 sec
 662 Waiting for     0.0389 sec
 663 #OVERLAP evdw > 1d10   1.00000E+20
 664  #OVERLAPing residues             4
 665    5  23  24  27
 666  #OVERLAPing all corrected after             3  random generation
 667 #OVERLAP evdw after   3.50165E+12
 668 Waiting for     0.0403 sec
 669 Waiting for     0.0391 sec
 670 #OVERLAP evdw > 1d10   1.00000E+20
 671  #OVERLAPing residues             4
 672    4  20   6  17
 673  #OVERLAPing all corrected after             1  random generation
 674 #OVERLAP evdw after   2.56174E+05
 675 Waiting for     0.0383 sec
 676 #OVERLAP evdw > 1d10   1.00000E+20
 677  #OVERLAPing residues             2
 678    3  21
 679  #OVERLAPing all corrected after             1  random generation
 680 #OVERLAP evdw after   1.33241E+08
 681 Waiting for     0.0381 sec
 682 #OVERLAP evdw > 1d10   1.00000E+20
 683  #OVERLAPing residues             2
 684   12  17
 685  #OVERLAPing all corrected after             1  random generation
 686 #OVERLAP evdw after   4.05732E+07
 687 Waiting for     1.8133 sec
 688 Waiting for     0.0006 sec
 689 Waiting for     0.0384 sec
 690 Waiting for     0.0391 sec
 691 #OVERLAP evdw > 1d10   1.00000E+20
 692  #OVERLAPing residues             2
 693    8  23
 694  #OVERLAPing all corrected after             1  random generation
 695 #OVERLAP evdw after   7.33749E+23
 696 Waiting for     0.0386 sec
 697 Waiting for     2.0103 sec
 698 Waiting for     0.0006 sec
 699 Waiting for     0.0383 sec
 700 #OVERLAP evdw > 1d10   1.00000E+20
 701  #OVERLAPing residues             2
 702    4  15
 703  #OVERLAPing all corrected after             1  random generation
 704 #OVERLAP evdw after   1.76182E+05
 705 Waiting for     0.0667 sec
 706 Waiting for     0.0389 sec
 707 Waiting for     0.0386 sec
 708 Waiting for     0.0398 sec
 709 Waiting for     0.0388 sec
 710 #OVERLAP evdw > 1d10   1.00000E+20
 711  #OVERLAPing residues             2
 712   11  25
 713  #OVERLAPing all corrected after             1  random generation
 714 #OVERLAP evdw after   5.23625E+12
 715 Waiting for     0.0126 sec
 716 Waiting for     0.0390 sec
 717 Waiting for     0.0384 sec
 718 Waiting for     0.0774 sec
 719 #OVERLAP evdw > 1d10   1.00000E+20
 720  #OVERLAPing residues             2
 721    7  25
 722  #OVERLAPing all corrected after             2  random generation
 723 #OVERLAP evdw after   4.08733E+10
 724 Waiting for     0.0208 sec
 725 Waiting for     0.0379 sec
 726 Waiting for     0.0397 sec
 727 Waiting for     0.0382 sec
 728 Waiting for     0.0387 sec
 729 Waiting for     0.0007 sec
 730 Waiting for     0.0382 sec
 731 Waiting for     1.6531 sec
 732 Waiting for     0.0004 sec
 733 Waiting for     0.0395 sec
 734 Waiting for     0.0388 sec
 735 Waiting for     0.0489 sec
 736 #OVERLAP evdw > 1d10   1.00000E+20
 737  #OVERLAPing residues             2
 738    3  23
 739  #OVERLAPing all corrected after             1  random generation
 740 #OVERLAP evdw after   1.72237E+07
 741 Waiting for     0.0394 sec
 742 Waiting for     0.0007 sec
 743 Waiting for     0.0385 sec
 744 Waiting for     0.0383 sec
 745 #OVERLAP evdw > 1d10   5.56341E+21
 746  #OVERLAPing residues             0
 747
 748  #OVERLAPing all corrected after             1  random generation
 749 #OVERLAP evdw after   5.56341E+21
 750 Waiting for     0.0383 sec
 751 #OVERLAP evdw > 1d10   1.00000E+20
 752  #OVERLAPing residues             2
 753   14  25
 754  #OVERLAPing all corrected after             1  random generation
 755 #OVERLAP evdw after   3.57502E+16
 756 Waiting for     0.0381 sec
 757 Waiting for     0.0381 sec
 758 #OVERLAP evdw > 1d10   1.00000E+20
 759  #OVERLAPing residues             2
 760    5  25
 761  #OVERLAPing all corrected after             1  random generation
 762 #OVERLAP evdw after   3.57467E+03
 763 Waiting for     0.0395 sec
 764 Waiting for     0.0392 sec
 765 Waiting for     0.0304 sec
 766 Waiting for     0.0385 sec
 767 #OVERLAP evdw > 1d10   1.00000E+20
 768  #OVERLAPing residues             2
 769    4  24
 770  #OVERLAPing all corrected after             1  random generation
 771 #OVERLAP evdw after   5.99377E+13
 772 Waiting for     0.0381 sec
 773 #OVERLAP evdw > 1d10   1.00000E+20
 774  #OVERLAPing residues             3
 775   17  21  23
 776  #OVERLAPing all corrected after             1  random generation
 777 #OVERLAP evdw after   1.19317E+15
 778 Waiting for     0.0389 sec
 779 #OVERLAP evdw > 1d10   1.00000E+20
 780  #OVERLAPing residues             2
 781    2  11
 782  #OVERLAPing all corrected after             1  random generation
 783 #OVERLAP evdw after   3.52277E+04
 784 Waiting for     0.0384 sec
 785 Waiting for     0.0389 sec
 786 #OVERLAP evdw > 1d10   1.00000E+20
 787  #OVERLAPing residues             2
 788   17  23
 789  #OVERLAPing all corrected after           101  random generation
 790 #OVERLAP evdw after   3.64930E+15
 791 Waiting for     0.0397 sec
 792 #OVERLAP evdw > 1d10   1.00000E+20
 793  #OVERLAPing residues             2
 794    3  14
 795  #OVERLAPing all corrected after             1  random generation
 796 #OVERLAP evdw after  -1.17735E+01
 797 Waiting for     0.0388 sec
 798 Waiting for     0.0391 sec
 799 Waiting for     0.0007 sec
 800 #OVERLAP evdw > 1d10   1.00000E+20
 801  #OVERLAPing residues             2
 802    7   9
 803  #OVERLAPing all corrected after             1  random generation
 804 #OVERLAP evdw after   1.71606E+08
 805 Waiting for     0.0382 sec
 806 Waiting for     0.0732 sec
 807 Waiting for     0.0386 sec
 808 Waiting for     0.0393 sec
 809 Waiting for     0.0383 sec
 810 Waiting for     0.0393 sec
 811 Waiting for     0.0397 sec
 812 Waiting for     0.0007 sec
 813 Waiting for     0.0394 sec
 814 Waiting for     0.0382 sec
 815 Waiting for     0.0380 sec
 816 Waiting for     0.0396 sec
 817 Waiting for     0.0390 sec
 818 Waiting for     0.0382 sec
 819 Waiting for     0.0390 sec
 820 Waiting for     0.0007 sec
 821 Waiting for     0.0397 sec
 822 Waiting for     0.9420 sec
 823 #OVERLAP evdw > 1d10   1.00000E+20
 824  #OVERLAPing residues             2
 825   11  26
 826  #OVERLAPing all corrected after             1  random generation
 827 #OVERLAP evdw after   2.14166E+06
 828 Waiting for     0.0006 sec
 829 Waiting for     0.0387 sec
 830 Waiting for     0.0380 sec
 831 Waiting for     0.0400 sec
 832 Waiting for     0.0379 sec
 833 Waiting for     0.0396 sec
 834 #OVERLAP evdw > 1d10   1.00000E+20
 835  #OVERLAPing residues             2
 836   22  27
 837  #OVERLAPing all corrected after             1  random generation
 838 #OVERLAP evdw after   1.60183E+04
 839 Waiting for     0.0006 sec
 840 Waiting for     0.0381 sec
 841 Waiting for     0.0391 sec
 842 Waiting for     0.0390 sec
 843 Waiting for     0.0380 sec
 844 Waiting for     0.0388 sec
 845 Waiting for     0.0382 sec
 846 Waiting for     0.0379 sec
 847 Waiting for     0.0007 sec
 848 Waiting for     0.0385 sec
 849 Waiting for     0.0388 sec
 850 Waiting for     0.0390 sec
 851 Waiting for     0.0395 sec
 852 #OVERLAP evdw > 1d10   1.00000E+20
 853  #OVERLAPing residues             4
 854    5  26   7  27
 855  #OVERLAPing all corrected after             4  random generation
 856 #OVERLAP evdw after   1.13307E+22
 857 Waiting for     0.0389 sec
 858 Waiting for     0.0396 sec
 859 Waiting for     0.0393 sec
 860 Waiting for     0.0006 sec
 861 Waiting for     0.0392 sec
 862 Waiting for     0.0386 sec
 863 Waiting for     0.0381 sec
 864 #OVERLAP evdw > 1d10   1.00000E+20
 865  #OVERLAPing residues             2
 866    7  11
 867  #OVERLAPing all corrected after             2  random generation
 868 #OVERLAP evdw after   8.10076E+05
 869 Waiting for     0.0393 sec
 870 #OVERLAP evdw > 1d10   1.00000E+20
 871  #OVERLAPing residues             5
 872   13  26  14  25  22
 873  #OVERLAPing all corrected after             4  random generation
 874 #OVERLAP evdw after   9.36801E+09
 875 Waiting for     0.0393 sec
 876 Waiting for     0.0390 sec
 877 Waiting for     0.0392 sec
 878 Waiting for     0.0378 sec
 879  End of minim, proc            4 time     3399.766544000000
 880 Processor   4 is finishing work.
 881  Total time    3435.740056999999       sec