examples/unres/CSA/CASP5/CSA/run1/output/1fsd_CASP5.out_GB003

   1 --------------------------------------------------------------------------------
   2                               FILE ASSIGNMENT
   3 --------------------------------------------------------------------------------
   4  Input file                      : 1fsd_CASP5.inp
   5  Output file                     : 1fsd_CASP5.out_GB003
   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=             3  iseed(4)=             0            0           -2
  47        -48387
  48  ran_num   0.6641613245010376
  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     1.3281 sec
 146 Waiting for     0.0007 sec
 147 Waiting for     0.0397 sec
 148 Waiting for     1.2134 sec
 149 Waiting for     0.0395 sec
 150 #OVERLAP evdw > 1d10   1.00000E+20
 151  #OVERLAPing residues             2
 152    8  17
 153  #OVERLAPing all corrected after             2  random generation
 154 #OVERLAP evdw after   8.38150E+12
 155 Waiting for     0.0385 sec
 156 #OVERLAP evdw > 1d10   1.00000E+20
 157  #OVERLAPing residues             2
 158    7  27
 159  #OVERLAPing all corrected after             2  random generation
 160 #OVERLAP evdw after   2.29708E+27
 161 Waiting for     0.0592 sec
 162 #OVERLAP evdw > 1d10   1.00000E+20
 163  #OVERLAPing residues             3
 164    4  14   5
 165  #OVERLAPing all corrected after             1  random generation
 166 #OVERLAP evdw after   2.32402E+11
 167 Waiting for     0.0392 sec
 168 Waiting for     0.0702 sec
 169 Waiting for     0.0398 sec
 170 Waiting for     0.0360 sec
 171 #OVERLAP evdw > 1d10   1.00000E+20
 172  #OVERLAPing residues             3
 173    9  20  21
 174  #OVERLAPing all corrected after             1  random generation
 175 #OVERLAP evdw after   5.31923E+11
 176 Waiting for     0.0386 sec
 177 #OVERLAP evdw > 1d10   1.00000E+20
 178  #OVERLAPing residues             4
 179    7  25  17  29
 180  #OVERLAPing all corrected after             1  random generation
 181 #OVERLAP evdw after   1.06861E+07
 182 Waiting for     0.0389 sec
 183 Waiting for     0.0395 sec
 184 Waiting for     0.0378 sec
 185 Waiting for     0.0395 sec
 186 #OVERLAP evdw > 1d10   1.00000E+20
 187  #OVERLAPing residues             2
 188   13  22
 189  #OVERLAPing all corrected after             1  random generation
 190 #OVERLAP evdw after   6.88033E+06
 191 Waiting for     0.0384 sec
 192 #OVERLAP evdw > 1d10   1.00000E+20
 193  #OVERLAPing residues             2
 194    8  28
 195  #OVERLAPing all corrected after             1  random generation
 196 #OVERLAP evdw after   5.47489E+15
 197 Waiting for     0.0467 sec
 198 #OVERLAP evdw > 1d10   1.00000E+20
 199  #OVERLAPing residues             5
 200    7  27   8  17  23
 201  #OVERLAPing all corrected after             2  random generation
 202 #OVERLAP evdw after   7.09634E+07
 203 Waiting for     0.0467 sec
 204 Waiting for     0.0380 sec
 205 Waiting for     0.0385 sec
 206 Waiting for     0.0391 sec
 207 Waiting for     0.0391 sec
 208 #OVERLAP evdw > 1d10   1.00000E+20
 209  #OVERLAPing residues             2
 210    3  26
 211  #OVERLAPing all corrected after             1  random generation
 212 #OVERLAP evdw after   4.56342E+13
 213 Waiting for     0.0392 sec
 214 #OVERLAP evdw > 1d10   1.00000E+20
 215  #OVERLAPing residues             4
 216    9  20  10  22
 217  #OVERLAPing all corrected after             2  random generation
 218 #OVERLAP evdw after   2.13456E+14
 219 Waiting for     0.0389 sec
 220 Waiting for     1.7616 sec
 221 Waiting for     0.0386 sec
 222 #OVERLAP evdw > 1d10   1.00000E+20
 223  #OVERLAPing residues             2
 224    2  17
 225  #OVERLAPing all corrected after             1  random generation
 226 #OVERLAP evdw after   8.22462E+04
 227 Waiting for     0.0390 sec
 228 Waiting for     0.0380 sec
 229 Waiting for     0.0383 sec
 230 Waiting for     0.0390 sec
 231 Waiting for     0.0387 sec
 232 Waiting for     0.0397 sec
 233 #OVERLAP evdw > 1d10   1.00000E+20
 234  #OVERLAPing residues             2
 235    9  11
 236  #OVERLAPing all corrected after             2  random generation
 237 #OVERLAP evdw after   2.95238E+05
 238 Waiting for     0.0384 sec
 239 #OVERLAP evdw > 1d10   1.00000E+20
 240  #OVERLAPing residues             2
 241    6  25
 242  #OVERLAPing all corrected after             1  random generation
 243 #OVERLAP evdw after  -4.07421E+01
 244 Waiting for     0.0389 sec
 245 Waiting for     1.3596 sec
 246 Waiting for     0.0397 sec
 247 Waiting for     0.0382 sec
 248 Waiting for     0.0393 sec
 249 Waiting for     0.0382 sec
 250 #OVERLAP evdw > 1d10   1.00000E+20
 251  #OVERLAPing residues             2
 252    4   9
 253  #OVERLAPing all corrected after             1  random generation
 254 #OVERLAP evdw after  -5.26461E+01
 255 Waiting for     0.0380 sec
 256 Waiting for     0.0391 sec
 257 Waiting for     0.0397 sec
 258 #OVERLAP evdw > 1d10   1.00000E+20
 259  #OVERLAPing residues             2
 260    9  22
 261  #OVERLAPing all corrected after             1  random generation
 262 #OVERLAP evdw after   7.23640E+22
 263 Waiting for     0.0007 sec
 264 Waiting for     0.0385 sec
 265 #OVERLAP evdw > 1d10   1.19186E+25
 266  #OVERLAPing residues             0
 267
 268  #OVERLAPing all corrected after             1  random generation
 269 #OVERLAP evdw after   1.19186E+25
 270 Waiting for     0.0387 sec
 271 Waiting for     0.0388 sec
 272 Waiting for     0.0389 sec
 273 Waiting for     0.0394 sec
 274 Waiting for     0.0382 sec
 275 Waiting for     0.0396 sec
 276 Waiting for     0.0384 sec
 277 Waiting for     0.0412 sec
 278 Waiting for     0.0005 sec
 279 Waiting for     0.0382 sec
 280 #OVERLAP evdw > 1d10   1.00000E+20
 281  #OVERLAPing residues             2
 282   11  24
 283  #OVERLAPing all corrected after             1  random generation
 284 #OVERLAP evdw after   1.20100E+16
 285 Waiting for     0.0392 sec
 286 Waiting for     0.0386 sec
 287 Waiting for     0.0425 sec
 288 Waiting for     0.0391 sec
 289 #OVERLAP evdw > 1d10   1.00000E+20
 290  #OVERLAPing residues             4
 291    2  29   3  27
 292  #OVERLAPing all corrected after             1  random generation
 293 #OVERLAP evdw after   3.49968E+07
 294 Waiting for     0.0388 sec
 295 Waiting for     0.0006 sec
 296 #OVERLAP evdw > 1d10   1.00000E+20
 297  #OVERLAPing residues             4
 298    4  24   5  22
 299  #OVERLAPing all corrected after             2  random generation
 300 #OVERLAP evdw after   3.47882E+11
 301 Waiting for     0.0387 sec
 302 Waiting for     0.0398 sec
 303 Waiting for     0.0379 sec
 304 #OVERLAP evdw > 1d10   1.00000E+20
 305  #OVERLAPing residues             4
 306    5  26  17  25
 307  #OVERLAPing all corrected after             1  random generation
 308 #OVERLAP evdw after   2.43394E+08
 309 Waiting for     0.0382 sec
 310 Waiting for     0.0384 sec
 311 Waiting for     0.0397 sec
 312 Waiting for     0.0389 sec
 313 Waiting for     0.0384 sec
 314 Waiting for     0.0007 sec
 315 #OVERLAP evdw > 1d10   1.00000E+20
 316  #OVERLAPing residues             2
 317    5  17
 318  #OVERLAPing all corrected after             1  random generation
 319 #OVERLAP evdw after  -1.97500E+01
 320 Waiting for     0.0391 sec
 321 Waiting for     0.0392 sec
 322 Waiting for     0.0386 sec
 323 Waiting for     0.0386 sec
 324 Waiting for     0.0396 sec
 325 Waiting for     0.0395 sec
 326 Waiting for     0.0390 sec
 327 Waiting for     0.0007 sec
 328 #OVERLAP evdw > 1d10   1.00000E+20
 329  #OVERLAPing residues             2
 330   11  20
 331  #OVERLAPing all corrected after             1  random generation
 332 #OVERLAP evdw after   9.35428E+21
 333 Waiting for     0.0393 sec
 334 Waiting for     0.0392 sec
 335 Waiting for     1.4495 sec
 336 #OVERLAP evdw > 1d10   1.00000E+20
 337  #OVERLAPing residues             2
 338    9  29
 339  #OVERLAPing all corrected after             1  random generation
 340 #OVERLAP evdw after   1.79718E+06
 341 Waiting for     0.0005 sec
 342 #OVERLAP evdw > 1d10   1.00000E+20
 343  #OVERLAPing residues             2
 344    2  20
 345  #OVERLAPing all corrected after             2  random generation
 346 #OVERLAP evdw after   1.07625E+24
 347 Waiting for     0.0378 sec
 348 Waiting for     0.0397 sec
 349 #OVERLAP evdw > 1d10   1.00000E+20
 350  #OVERLAPing residues             2
 351    4  27
 352  #OVERLAPing all corrected after             1  random generation
 353 #OVERLAP evdw after   1.33862E+02
 354 Waiting for     0.0387 sec
 355 #OVERLAP evdw > 1d10   1.00000E+20
 356  #OVERLAPing residues             2
 357    4  21
 358  #OVERLAPing all corrected after             1  random generation
 359 #OVERLAP evdw after   1.38443E+04
 360 Waiting for     0.0007 sec
 361 #OVERLAP evdw > 1d10   1.00000E+20
 362  #OVERLAPing residues             4
 363    9  26  20  25
 364  #OVERLAPing all corrected after             1  random generation
 365 #OVERLAP evdw after   8.28504E+28
 366 Waiting for     0.0395 sec
 367 Waiting for     0.0380 sec
 368 Waiting for     0.0385 sec
 369 Waiting for     0.0394 sec
 370 #OVERLAP evdw > 1d10   1.00000E+20
 371  #OVERLAPing residues             2
 372    4  12
 373  #OVERLAPing all corrected after             1  random generation
 374 #OVERLAP evdw after   8.63103E+04
 375 Waiting for     0.0382 sec
 376 #OVERLAP evdw > 1d10   2.02683E+22
 377  #OVERLAPing residues             0
 378
 379  #OVERLAPing all corrected after             1  random generation
 380 #OVERLAP evdw after   2.02683E+22
 381 Waiting for     0.0377 sec
 382 Waiting for     0.0396 sec
 383 Waiting for     0.0386 sec
 384 #OVERLAP evdw > 1d10   1.00000E+20
 385  #OVERLAPing residues             2
 386    3  25
 387  #OVERLAPing all corrected after             1  random generation
 388 #OVERLAP evdw after   2.02907E+04
 389 Waiting for     0.0394 sec
 390 Waiting for     0.0536 sec
 391 Waiting for     0.0386 sec
 392 Waiting for     0.0385 sec
 393 Waiting for     0.0388 sec
 394 #OVERLAP evdw > 1d10   1.00000E+20
 395  #OVERLAPing residues             2
 396    2  25
 397  #OVERLAPing all corrected after             1  random generation
 398 #OVERLAP evdw after   3.49770E+17
 399 Waiting for     0.0386 sec
 400 Waiting for     0.0385 sec
 401 Waiting for     0.0387 sec
 402 Waiting for     0.0142 sec
 403 #OVERLAP evdw > 1d10   1.00000E+20
 404  #OVERLAPing residues             2
 405    9  26
 406  #OVERLAPing all corrected after             1  random generation
 407 #OVERLAP evdw after   2.50153E+06
 408 Waiting for     0.0396 sec
 409 Waiting for     0.0384 sec
 410 Waiting for     0.0391 sec
 411 Waiting for     0.0386 sec
 412 Waiting for     0.0382 sec
 413 Waiting for     0.0388 sec
 414 #OVERLAP evdw > 1d10   1.00000E+20
 415  #OVERLAPing residues             2
 416   15  19
 417  #OVERLAPing all corrected after             1  random generation
 418 #OVERLAP evdw after   2.46592E+12
 419 Waiting for     0.0390 sec
 420 #OVERLAP evdw > 1d10   1.00000E+20
 421  #OVERLAPing residues             2
 422   12  26
 423  #OVERLAPing all corrected after             1  random generation
 424 #OVERLAP evdw after   3.30873E+02
 425 Waiting for     0.0007 sec
 426 #OVERLAP evdw > 1d10   1.00000E+20
 427  #OVERLAPing residues             2
 428   11  22
 429  #OVERLAPing all corrected after             1  random generation
 430 #OVERLAP evdw after   5.03601E+14
 431 Waiting for     0.0394 sec
 432 Waiting for     0.0384 sec
 433 #OVERLAP evdw > 1d10   1.00000E+20
 434  #OVERLAPing residues             2
 435    8  29
 436  #OVERLAPing all corrected after             1  random generation
 437 #OVERLAP evdw after   1.06071E+10
 438 Waiting for     0.0397 sec
 439 Waiting for     0.0397 sec
 440 #OVERLAP evdw > 1d10   1.00000E+20
 441  #OVERLAPing residues             5
 442    7  23   9  26  27
 443  #OVERLAPing all corrected after             1  random generation
 444 #OVERLAP evdw after   2.79528E+06
 445 Waiting for     0.0440 sec
 446 Waiting for     0.0379 sec
 447 Waiting for     0.0386 sec
 448 Waiting for     0.0397 sec
 449 Waiting for     0.0145 sec
 450 #OVERLAP evdw > 1d10   1.00000E+20
 451  #OVERLAPing residues             2
 452   22  25
 453  #OVERLAPing all corrected after             2  random generation
 454 #OVERLAP evdw after   1.07273E+06
 455 Waiting for     0.0390 sec
 456 Waiting for     0.0383 sec
 457 #OVERLAP evdw > 1d10   1.00000E+20
 458  #OVERLAPing residues             2
 459    7  25
 460  #OVERLAPing all corrected after             1  random generation
 461 #OVERLAP evdw after  -4.37721E+01
 462 Waiting for     1.4598 sec
 463 Waiting for     0.0006 sec
 464 Waiting for     0.0390 sec
 465 Waiting for     0.0394 sec
 466 Waiting for     0.0383 sec
 467 Waiting for     0.0248 sec
 468 Waiting for     0.7964 sec
 469 Waiting for     0.0508 sec
 470 #OVERLAP evdw > 1d10   1.00000E+20
 471  #OVERLAPing residues             4
 472    7  20  11  28
 473  #OVERLAPing all corrected after             3  random generation
 474 #OVERLAP evdw after   5.37883E+16
 475 Waiting for     0.0004 sec
 476 Waiting for     0.0524 sec
 477 Waiting for     0.0398 sec
 478 Waiting for     0.0389 sec
 479 #OVERLAP evdw > 1d10   1.00000E+20
 480  #OVERLAPing residues             2
 481   19  27
 482  #OVERLAPing NOT all corrected             3
 483   19  27  20
 484 #OVERLAP evdw after   1.00000E+20
 485 Waiting for     0.0387 sec
 486 Waiting for     0.0006 sec
 487 #OVERLAP evdw > 1d10   1.00000E+20
 488  #OVERLAPing residues             4
 489   11  27  14  23
 490  #OVERLAPing all corrected after             4  random generation
 491 #OVERLAP evdw after   1.88185E+10
 492 Waiting for     0.0541 sec
 493 #OVERLAP evdw > 1d10   1.00000E+20
 494  #OVERLAPing residues             2
 495    9  25
 496  #OVERLAPing all corrected after             3  random generation
 497 #OVERLAP evdw after   1.49535E+20
 498 Waiting for     0.0390 sec
 499 #OVERLAP evdw > 1d10   1.00000E+20
 500  #OVERLAPing residues             2
 501   15  27
 502  #OVERLAPing all corrected after             1  random generation
 503 #OVERLAP evdw after   1.12592E+13
 504 Waiting for     0.0381 sec
 505 Waiting for     0.0396 sec
 506 Waiting for     0.0387 sec
 507 Waiting for     0.0388 sec
 508 Waiting for     0.0394 sec
 509 Waiting for     0.0383 sec
 510 Waiting for     0.0169 sec
 511 #OVERLAP evdw > 1d10   1.00000E+20
 512  #OVERLAPing residues             2
 513    7  28
 514  #OVERLAPing all corrected after             1  random generation
 515 #OVERLAP evdw after   7.68686E+11
 516 Waiting for     0.0393 sec
 517 Waiting for     1.3819 sec
 518 #OVERLAP evdw > 1d10   1.00000E+20
 519  #OVERLAPing residues             2
 520    8  13
 521  #OVERLAPing all corrected after             1  random generation
 522 #OVERLAP evdw after   7.23096E+05
 523 Waiting for     0.0074 sec
 524 Waiting for     0.0394 sec
 525 Waiting for     0.0394 sec
 526 #OVERLAP evdw > 1d10   1.00000E+20
 527  #OVERLAPing residues             2
 528    9  23
 529  #OVERLAPing all corrected after             6  random generation
 530 #OVERLAP evdw after   2.82885E+15
 531 Waiting for     0.0388 sec
 532 Waiting for     0.0387 sec
 533 Waiting for     0.0007 sec
 534 Waiting for     0.0383 sec
 535 #OVERLAP evdw > 1d10   1.00000E+20
 536  #OVERLAPing residues             2
 537    9  27
 538  #OVERLAPing all corrected after             1  random generation
 539 #OVERLAP evdw after   1.70155E+10
 540 Waiting for     0.0380 sec
 541 Waiting for     0.0399 sec
 542 Waiting for     0.0384 sec
 543 Waiting for     0.0386 sec
 544 Waiting for     0.0391 sec
 545 Waiting for     0.0389 sec
 546 Waiting for     0.0007 sec
 547 Waiting for     0.0385 sec
 548 #OVERLAP evdw > 1d10   1.00000E+20
 549  #OVERLAPing residues             2
 550    7  20
 551  #OVERLAPing all corrected after             1  random generation
 552 #OVERLAP evdw after   3.25599E+08
 553 Waiting for     0.0385 sec
 554 Waiting for     0.0398 sec
 555 Waiting for     0.0392 sec
 556 Waiting for     0.7687 sec
 557 #OVERLAP evdw > 1d10   1.00000E+20
 558  #OVERLAPing residues             4
 559    9  12  14  24
 560  #OVERLAPing all corrected after             2  random generation
 561 #OVERLAP evdw after   1.23380E+08
 562 Waiting for     0.0005 sec
 563 #OVERLAP evdw > 1d10   1.00000E+20
 564  #OVERLAPing residues             2
 565    4  18
 566  #OVERLAPing all corrected after             2  random generation
 567 #OVERLAP evdw after   1.02956E+12
 568 Waiting for     0.0391 sec
 569 Waiting for     0.0387 sec
 570 Waiting for     0.0004 sec
 571 Waiting for     0.0393 sec
 572 #OVERLAP evdw > 1d10   1.00000E+20
 573  #OVERLAPing residues             2
 574    2  23
 575  #OVERLAPing all corrected after             1  random generation
 576 #OVERLAP evdw after   1.30688E+11
 577 Waiting for     0.0397 sec
 578 Waiting for     0.0382 sec
 579 Waiting for     0.0381 sec
 580 Waiting for     0.0007 sec
 581 Waiting for     0.0382 sec
 582 #OVERLAP evdw > 1d10   1.00000E+20
 583  #OVERLAPing residues             5
 584    8  26   9  27  10
 585  #OVERLAPing all corrected after             2  random generation
 586 #OVERLAP evdw after   2.25372E+08
 587 Waiting for     0.0384 sec
 588 Waiting for     0.0004 sec
 589 Waiting for     0.0394 sec
 590 Waiting for     0.0380 sec
 591 Waiting for     0.0387 sec
 592 #OVERLAP evdw > 1d10   1.00000E+20
 593  #OVERLAPing residues             2
 594    9  21
 595  #OVERLAPing all corrected after             1  random generation
 596 #OVERLAP evdw after   8.29825E+05
 597 Waiting for     0.0391 sec
 598 Waiting for     0.0388 sec
 599 Waiting for     0.0398 sec
 600 Waiting for     0.0381 sec
 601 Waiting for     0.0007 sec
 602 Waiting for     0.0390 sec
 603 Waiting for     0.0394 sec
 604 #OVERLAP evdw > 1d10   1.00000E+20
 605  #OVERLAPing residues             2
 606    4  11
 607  #OVERLAPing all corrected after             1  random generation
 608 #OVERLAP evdw after   4.48949E+14
 609 Waiting for     0.0391 sec
 610 Waiting for     0.0383 sec
 611 Waiting for     0.0385 sec
 612 #OVERLAP evdw > 1d10   1.00000E+20
 613  #OVERLAPing residues             3
 614    4  25   5
 615  #OVERLAPing all corrected after             5  random generation
 616 #OVERLAP evdw after   3.17593E+08
 617 Waiting for     0.0386 sec
 618 Waiting for     0.0392 sec
 619 Waiting for     0.0388 sec
 620 #OVERLAP evdw > 1d10   1.00000E+20
 621  #OVERLAPing residues             2
 622    7  21
 623  #OVERLAPing all corrected after             1  random generation
 624 #OVERLAP evdw after   5.38276E+05
 625 Waiting for     0.0712 sec
 626 Waiting for     0.2641 sec
 627 Waiting for     0.0006 sec
 628 #OVERLAP evdw > 1d10   1.00000E+20
 629  #OVERLAPing residues             2
 630   14  22
 631  #OVERLAPing all corrected after             1  random generation
 632 #OVERLAP evdw after   1.52020E+04
 633 Waiting for     0.0387 sec
 634 #OVERLAP evdw > 1d10   1.00000E+20
 635  #OVERLAPing residues             2
 636    4  13
 637  #OVERLAPing all corrected after             1  random generation
 638 #OVERLAP evdw after   1.03217E+08
 639 Waiting for     0.0388 sec
 640 #OVERLAP evdw > 1d10   5.05315E+22
 641  #OVERLAPing residues             0
 642
 643  #OVERLAPing all corrected after             1  random generation
 644 #OVERLAP evdw after   5.05315E+22
 645 Waiting for     0.0385 sec
 646 Waiting for     0.0383 sec
 647 Waiting for     1.6459 sec
 648 Waiting for     0.0006 sec
 649 Waiting for     0.0383 sec
 650 Waiting for     0.0380 sec
 651 #OVERLAP evdw > 1d10   1.00000E+20
 652  #OVERLAPing residues             2
 653    3  27
 654  #OVERLAPing all corrected after             1  random generation
 655 #OVERLAP evdw after   5.29425E+03
 656 Waiting for     0.0385 sec
 657 Waiting for     0.0392 sec
 658 #OVERLAP evdw > 1d10   1.00000E+20
 659  #OVERLAPing residues             7
 660    7  23  11  25  12  13  26
 661  #OVERLAPing all corrected after             1  random generation
 662 #OVERLAP evdw after   3.25614E+11
 663 Waiting for     0.0380 sec
 664 Waiting for     0.0379 sec
 665 Waiting for     0.0393 sec
 666 #OVERLAP evdw > 1d10   1.00000E+20
 667  #OVERLAPing residues             4
 668    6  27   7  28
 669  #OVERLAPing NOT all corrected             2
 670    7  28
 671 #OVERLAP evdw after   1.00000E+20
 672 Waiting for     0.0007 sec
 673 #OVERLAP evdw > 1d10   1.00000E+20
 674  #OVERLAPing residues             3
 675    7  25  27
 676  #OVERLAPing all corrected after             2  random generation
 677 #OVERLAP evdw after   4.83634E+17
 678 Waiting for     0.0393 sec
 679 Waiting for     0.0393 sec
 680 #OVERLAP evdw > 1d10   1.00000E+20
 681  #OVERLAPing residues             6
 682    7  27   8  23   9  25
 683  #OVERLAPing all corrected after            26  random generation
 684 #OVERLAP evdw after   2.32195E+07
 685 Waiting for     0.0391 sec
 686 Waiting for     0.0382 sec
 687 Waiting for     0.0394 sec
 688 Waiting for     0.0394 sec
 689 #OVERLAP evdw > 1d10   1.00000E+20
 690  #OVERLAPing residues             2
 691   13  29
 692  #OVERLAPing all corrected after             1  random generation
 693 #OVERLAP evdw after   1.15196E+09
 694 Waiting for     0.0381 sec
 695 Waiting for     0.0379 sec
 696 Waiting for     0.0006 sec
 697 Waiting for     0.0387 sec
 698 #OVERLAP evdw > 1d10   1.00000E+20
 699  #OVERLAPing residues             4
 700    2  23  11  25
 701  #OVERLAPing all corrected after             1  random generation
 702 #OVERLAP evdw after   1.68832E+23
 703 Waiting for     0.0386 sec
 704 #OVERLAP evdw > 1d10   1.18038E+30
 705  #OVERLAPing residues             0
 706
 707  #OVERLAPing all corrected after             1  random generation
 708 #OVERLAP evdw after   1.18038E+30
 709 Waiting for     0.0382 sec
 710 #OVERLAP evdw > 1d10   1.00000E+20
 711  #OVERLAPing residues             2
 712    3  13
 713  #OVERLAPing all corrected after             1  random generation
 714 #OVERLAP evdw after   3.20489E+11
 715 Waiting for     0.0395 sec
 716 Waiting for     0.0386 sec
 717 Waiting for     0.0382 sec
 718 Waiting for     0.0398 sec
 719 Waiting for     0.0007 sec
 720 Waiting for     0.0390 sec
 721 Waiting for     0.0382 sec
 722 #OVERLAP evdw > 1d10   1.00000E+20
 723  #OVERLAPing residues             2
 724   10  20
 725  #OVERLAPing all corrected after             1  random generation
 726 #OVERLAP evdw after  -2.54207E+01
 727 Waiting for     0.0379 sec
 728 Waiting for     0.0383 sec
 729 Waiting for     0.0398 sec
 730 Waiting for     0.0393 sec
 731 Waiting for     0.0386 sec
 732 #OVERLAP evdw > 1d10   1.00000E+20
 733  #OVERLAPing residues             2
 734    3  25
 735  #OVERLAPing all corrected after             1  random generation
 736 #OVERLAP evdw after   1.41453E+20
 737 Waiting for     0.0006 sec
 738 Waiting for     0.0395 sec
 739 #OVERLAP evdw > 1d10   1.00000E+20
 740  #OVERLAPing residues             4
 741    2  20  14  27
 742  #OVERLAPing all corrected after             1  random generation
 743 #OVERLAP evdw after   9.39121E+11
 744 Waiting for     0.0386 sec
 745 Waiting for     0.0387 sec
 746 Waiting for     0.9558 sec
 747 #OVERLAP evdw > 1d10   1.00000E+20
 748  #OVERLAPing residues             4
 749    9  22  10  17
 750  #OVERLAPing all corrected after             2  random generation
 751 #OVERLAP evdw after   3.32280E+05
 752 Waiting for     0.0274 sec
 753 Waiting for     0.0380 sec
 754 Waiting for     0.0380 sec
 755 #OVERLAP evdw > 1d10   1.00000E+20
 756  #OVERLAPing residues             4
 757    4  21  20  27
 758  #OVERLAPing all corrected after             2  random generation
 759 #OVERLAP evdw after   2.73502E+13
 760 Waiting for     0.0389 sec
 761 Waiting for     1.0137 sec
 762 #OVERLAP evdw > 1d10   1.00000E+20
 763  #OVERLAPing residues             2
 764    3  27
 765  #OVERLAPing all corrected after             1  random generation
 766 #OVERLAP evdw after   1.31310E+10
 767 Waiting for     0.0007 sec
 768 Waiting for     0.0395 sec
 769 Waiting for     0.0394 sec
 770 Waiting for     0.0382 sec
 771 Waiting for     0.0377 sec
 772 Waiting for     0.0393 sec
 773 #OVERLAP evdw > 1d10   7.29561E+20
 774  #OVERLAPing residues             0
 775
 776  #OVERLAPing all corrected after             1  random generation
 777 #OVERLAP evdw after   7.29561E+20
 778 Waiting for     0.0390 sec
 779 #OVERLAP evdw > 1d10   1.00000E+20
 780  #OVERLAPing residues             2
 781    8  17
 782  #OVERLAPing all corrected after             1  random generation
 783 #OVERLAP evdw after   2.10259E+04
 784 Waiting for     0.0007 sec
 785 Waiting for     0.0392 sec
 786 Waiting for     0.0391 sec
 787 Waiting for     0.8505 sec
 788 #OVERLAP evdw > 1d10   1.00000E+20
 789  #OVERLAPing residues             2
 790    9  23
 791  #OVERLAPing all corrected after             1  random generation
 792 #OVERLAP evdw after   3.26250E+18
 793 Waiting for     0.0025 sec
 794 Waiting for     0.0390 sec
 795 Waiting for     0.0389 sec
 796 Waiting for     0.0387 sec
 797 Waiting for     0.0006 sec
 798 Waiting for     0.0395 sec
 799 Waiting for     0.0394 sec
 800 Waiting for     0.0390 sec
 801 #OVERLAP evdw > 1d10   1.00000E+20
 802  #OVERLAPing residues             6
 803    8  20   9  11  22  25
 804  #OVERLAPing all corrected after             1  random generation
 805 #OVERLAP evdw after   1.65874E+06
 806 Waiting for     0.0379 sec
 807 #OVERLAP evdw > 1d10   1.00000E+20
 808  #OVERLAPing residues             2
 809    9  25
 810  #OVERLAPing all corrected after             1  random generation
 811 #OVERLAP evdw after   2.25696E+04
 812 Waiting for     0.0400 sec
 813 Waiting for     0.0390 sec
 814 #OVERLAP evdw > 1d10   1.00000E+20
 815  #OVERLAPing residues             4
 816    5  22   9  23
 817  #OVERLAPing all corrected after             1  random generation
 818 #OVERLAP evdw after   1.00783E+09
 819 Waiting for     0.0394 sec
 820 Waiting for     0.0386 sec
 821 Waiting for     0.0392 sec
 822 Waiting for     0.0382 sec
 823 Waiting for     0.0671 sec
 824 Waiting for     0.0760 sec
 825 Waiting for     0.0386 sec
 826 Waiting for     0.0389 sec
 827 Waiting for     0.0766 sec
 828 Waiting for     0.0396 sec
 829 #OVERLAP evdw > 1d10   1.00000E+20
 830  #OVERLAPing residues             2
 831    9  17
 832  #OVERLAPing all corrected after             1  random generation
 833 #OVERLAP evdw after   1.05556E+06
 834 Waiting for     0.0390 sec
 835 Waiting for     0.0398 sec
 836 Waiting for     0.0393 sec
 837 Waiting for     0.0399 sec
 838 #OVERLAP evdw > 1d10   1.00000E+20
 839  #OVERLAPing residues             2
 840    7  25
 841  #OVERLAPing all corrected after             2  random generation
 842 #OVERLAP evdw after   3.31178E+05
 843 Waiting for     0.0389 sec
 844 Waiting for     0.0387 sec
 845 Waiting for     0.0392 sec
 846 Waiting for     0.0380 sec
 847 Waiting for     0.0007 sec
 848 Waiting for     0.3824 sec
 849 Waiting for     0.0006 sec
 850 Waiting for     0.0385 sec
 851 Waiting for     0.0383 sec
 852 Waiting for     0.0523 sec
 853 Waiting for     1.6858 sec
 854 Waiting for     0.0006 sec
 855 Waiting for     0.0398 sec
 856 Waiting for     0.0388 sec
 857 Waiting for     0.0393 sec
 858 Waiting for     0.0378 sec
 859 #OVERLAP evdw > 1d10   1.00000E+20
 860  #OVERLAPing residues             2
 861   11  20
 862  #OVERLAPing all corrected after             1  random generation
 863 #OVERLAP evdw after   6.10819E+09
 864 Waiting for     0.0378 sec
 865 #OVERLAP evdw > 1d10   1.00000E+20
 866  #OVERLAPing residues             2
 867    4  23
 868  #OVERLAPing all corrected after             8  random generation
 869 #OVERLAP evdw after   4.29107E+12
 870 Waiting for     0.0379 sec
 871 Waiting for     0.0384 sec
 872 Waiting for     0.0595 sec
 873 Waiting for     0.0386 sec
 874 Waiting for     0.0007 sec
 875 Waiting for     0.0392 sec
 876 #OVERLAP evdw > 1d10   1.00000E+20
 877  #OVERLAPing residues             2
 878    4  28
 879  #OVERLAPing all corrected after             1  random generation
 880 #OVERLAP evdw after   8.11330E+05
 881 Waiting for     0.0379 sec
 882 Waiting for     0.0390 sec
 883 Waiting for     0.2759 sec
 884 #OVERLAP evdw > 1d10   1.00000E+20
 885  #OVERLAPing residues             2
 886    7  22
 887  #OVERLAPing all corrected after             3  random generation
 888 #OVERLAP evdw after   3.08463E+11
 889 Waiting for     0.0384 sec
 890 #OVERLAP evdw > 1d10   1.00000E+20
 891  #OVERLAPing residues             8
 892    5  19   7  14   9  13  24  27
 893  #OVERLAPing all corrected after             2  random generation
 894 #OVERLAP evdw after   4.45301E+07
 895 Waiting for     0.0386 sec
 896 Waiting for     0.0397 sec
 897 #OVERLAP evdw > 1d10   1.00000E+20
 898  #OVERLAPing residues             2
 899   20  25
 900  #OVERLAPing all corrected after             1  random generation
 901 #OVERLAP evdw after   5.18645E+02
 902 Waiting for     0.0007 sec
 903 #OVERLAP evdw > 1d10   1.00000E+20
 904  #OVERLAPing residues             2
 905    8  17
 906  #OVERLAPing all corrected after             1  random generation
 907 #OVERLAP evdw after   1.51561E+09
 908 Waiting for     0.0383 sec
 909 Waiting for     0.0378 sec
 910 Waiting for     0.0379 sec
 911 #OVERLAP evdw > 1d10   1.00000E+20
 912  #OVERLAPing residues             3
 913    8  27   9
 914  #OVERLAPing all corrected after             1  random generation
 915 #OVERLAP evdw after   5.52220E+06
 916 Waiting for     0.0394 sec
 917 Waiting for     0.0398 sec
 918 Waiting for     0.0391 sec
 919 Waiting for     0.0390 sec
 920 #OVERLAP evdw > 1d10   1.00000E+20
 921  #OVERLAPing residues             4
 922    4  23   6  25
 923  #OVERLAPing all corrected after             3  random generation
 924 #OVERLAP evdw after   3.08261E+22
 925 Waiting for     0.0008 sec
 926 Waiting for     0.0384 sec
 927 #OVERLAP evdw > 1d10   1.00000E+20
 928  #OVERLAPing residues             4
 929   11  23  13  24
 930  #OVERLAPing all corrected after             1  random generation
 931 #OVERLAP evdw after   5.60100E+10
 932 Waiting for     0.0387 sec
 933 Waiting for     0.0386 sec
 934 Waiting for     0.0394 sec
 935 Waiting for     0.0715 sec
 936 #OVERLAP evdw > 1d10   1.00000E+20
 937  #OVERLAPing residues             3
 938    9  23  25
 939  #OVERLAPing all corrected after             4  random generation
 940 #OVERLAP evdw after   1.11609E+11
 941 Waiting for     1.1194 sec
 942 Waiting for     0.0116 sec
 943 Waiting for     0.0398 sec
 944 #OVERLAP evdw > 1d10   1.00000E+20
 945  #OVERLAPing residues             3
 946    4  29   5
 947  #OVERLAPing all corrected after             1  random generation
 948 #OVERLAP evdw after   4.03875E+02
 949 Waiting for     0.0006 sec
 950 Waiting for     0.0389 sec
 951 Waiting for     0.0398 sec
 952 Waiting for     0.0387 sec
 953 Waiting for     0.0379 sec
 954 Waiting for     0.0381 sec
 955 Waiting for     0.0389 sec
 956 Waiting for     0.0381 sec
 957 #OVERLAP evdw > 1d10   1.00000E+20
 958  #OVERLAPing residues             2
 959   19  27
 960  #OVERLAPing all corrected after             4  random generation
 961 #OVERLAP evdw after   8.68672E+07
 962 Waiting for     0.0006 sec
 963 #OVERLAP evdw > 1d10   1.00000E+20
 964  #OVERLAPing residues             2
 965   13  25
 966  #OVERLAPing all corrected after             1  random generation
 967 #OVERLAP evdw after   1.61688E+09
 968 Waiting for     0.0391 sec
 969 #OVERLAP evdw > 1d10   1.00000E+20
 970  #OVERLAPing residues             2
 971   11  29
 972  #OVERLAPing all corrected after             1  random generation
 973 #OVERLAP evdw after   9.82393E+02
 974 Waiting for     0.0392 sec
 975 #OVERLAP evdw > 1d10   1.00000E+20
 976  #OVERLAPing residues             2
 977    2  29
 978  #OVERLAPing all corrected after             1  random generation
 979 #OVERLAP evdw after   7.90408E+02
 980 Waiting for     0.0381 sec
 981 #OVERLAP evdw > 1d10   1.00000E+20
 982  #OVERLAPing residues             2
 983    7  15
 984  #OVERLAPing all corrected after             3  random generation
 985 #OVERLAP evdw after   8.03391E+02
 986 Waiting for     0.0389 sec
 987 Waiting for     2.9097 sec
 988 Waiting for     0.0004 sec
 989 Waiting for     0.0647 sec
 990 Waiting for     0.0383 sec
 991 Waiting for     0.0395 sec
 992 Waiting for     0.1418 sec
 993 Waiting for     0.0005 sec
 994 Waiting for     0.0391 sec
 995 Waiting for     0.0382 sec
 996 Waiting for     0.0384 sec
 997 Waiting for     0.0377 sec
 998  End of minim, proc            3 time     3404.559827000000
 999 Processor   3 is finishing work.
1000  Total time    3435.740501999999       sec