examples/unres/CSA/CASP5/CSA/run1/output/1fsd_CASP5.out_GB001

   1 --------------------------------------------------------------------------------
   2                               FILE ASSIGNMENT
   3 --------------------------------------------------------------------------------
   4  Input file                      : 1fsd_CASP5.inp
   5  Output file                     : 1fsd_CASP5.out_GB001
   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=             1  iseed(4)=             0            0           -1
  47        -24193
  48  ran_num   0.8320892453193665
  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     1.3290 sec
 146 Waiting for     0.0380 sec
 147 Waiting for     0.0379 sec
 148 Waiting for     1.2141 sec
 149 Waiting for     0.0169 sec
 150 Waiting for     0.0389 sec
 151 #OVERLAP evdw > 1d10   1.00000E+20
 152  #OVERLAPing residues             2
 153    3  11
 154  #OVERLAPing all corrected after             1  random generation
 155 #OVERLAP evdw after   9.26063E+12
 156 Waiting for     0.0007 sec
 157 Waiting for     0.0392 sec
 158 Waiting for     0.0385 sec
 159 #OVERLAP evdw > 1d10   1.00000E+20
 160  #OVERLAPing residues             2
 161    6  25
 162  #OVERLAPing all corrected after           776  random generation
 163 #OVERLAP evdw after   2.44417E+22
 164 Waiting for     0.0400 sec
 165 Waiting for     0.0379 sec
 166 Waiting for     0.0381 sec
 167 Waiting for     0.0394 sec
 168 #OVERLAP evdw > 1d10   1.00000E+20
 169  #OVERLAPing residues             2
 170   10  20
 171  #OVERLAPing all corrected after             1  random generation
 172 #OVERLAP evdw after   2.16098E+14
 173 Waiting for     0.0386 sec
 174 #OVERLAP evdw > 1d10   1.00000E+20
 175  #OVERLAPing residues             2
 176    7  25
 177  #OVERLAPing all corrected after             1  random generation
 178 #OVERLAP evdw after   3.60204E+11
 179 Waiting for     0.0396 sec
 180 #OVERLAP evdw > 1d10   1.00000E+20
 181  #OVERLAPing residues             2
 182    4  27
 183  #OVERLAPing all corrected after             5  random generation
 184 #OVERLAP evdw after   2.71359E+22
 185 Waiting for     0.0379 sec
 186 Waiting for     0.0381 sec
 187 #OVERLAP evdw > 1d10   1.00000E+20
 188  #OVERLAPing residues             2
 189    9  25
 190  #OVERLAPing all corrected after             1  random generation
 191 #OVERLAP evdw after   5.11462E+03
 192 Waiting for     0.0398 sec
 193 #OVERLAP evdw > 1d10   1.00000E+20
 194  #OVERLAPing residues             2
 195    5  22
 196  #OVERLAPing all corrected after             1  random generation
 197 #OVERLAP evdw after   6.04976E+15
 198 Waiting for     0.0007 sec
 199 Waiting for     0.0395 sec
 200 #OVERLAP evdw > 1d10   1.00000E+20
 201  #OVERLAPing residues             2
 202   11  17
 203  #OVERLAPing all corrected after             1  random generation
 204 #OVERLAP evdw after   3.80893E+16
 205 Waiting for     0.0387 sec
 206 #OVERLAP evdw > 1d10   1.00000E+20
 207  #OVERLAPing residues             2
 208    7  10
 209  #OVERLAPing all corrected after             1  random generation
 210 #OVERLAP evdw after   4.73240E+05
 211 Waiting for     0.2191 sec
 212 Waiting for     0.0004 sec
 213 #OVERLAP evdw > 1d10   1.00000E+20
 214  #OVERLAPing residues             2
 215   17  21
 216  #OVERLAPing all corrected after             2  random generation
 217 #OVERLAP evdw after   7.51582E+03
 218 Waiting for     0.0392 sec
 219 Waiting for     0.0393 sec
 220 Waiting for     0.0383 sec
 221 Waiting for     0.0394 sec
 222 Waiting for     0.0385 sec
 223 Waiting for     0.0389 sec
 224 Waiting for     0.0381 sec
 225 Waiting for     0.0394 sec
 226 Waiting for     0.0379 sec
 227 Waiting for     0.0388 sec
 228 Waiting for     0.2482 sec
 229 Waiting for     0.0009 sec
 230 #OVERLAP evdw > 1d10   1.00000E+20
 231  #OVERLAPing residues             4
 232    4  25   7  22
 233  #OVERLAPing all corrected after             1  random generation
 234 #OVERLAP evdw after   1.50967E+09
 235 Waiting for     0.0112 sec
 236 #OVERLAP evdw > 1d10   1.00000E+20
 237  #OVERLAPing residues             5
 238    2  14   6  29   9
 239  #OVERLAPing all corrected after             2  random generation
 240 #OVERLAP evdw after   1.11743E+22
 241 Waiting for     0.0398 sec
 242 Waiting for     0.0384 sec
 243 #OVERLAP evdw > 1d10   1.00000E+20
 244  #OVERLAPing residues             2
 245    7  18
 246  #OVERLAPing all corrected after             1  random generation
 247 #OVERLAP evdw after   7.59361E+06
 248 Waiting for     0.0390 sec
 249 Waiting for     0.0390 sec
 250 Waiting for     0.0394 sec
 251 Waiting for     0.0389 sec
 252 Waiting for     0.0389 sec
 253 Waiting for     0.0244 sec
 254 Waiting for     0.0393 sec
 255 #OVERLAP evdw > 1d10   1.00000E+20
 256  #OVERLAPing residues             2
 257    4  14
 258  #OVERLAPing all corrected after             1  random generation
 259 #OVERLAP evdw after   8.39301E+04
 260 Waiting for     0.0383 sec
 261 Waiting for     0.0697 sec
 262 Waiting for     0.0388 sec
 263 Waiting for     0.0385 sec
 264 Waiting for     0.0508 sec
 265 #OVERLAP evdw > 1d10   1.00000E+20
 266  #OVERLAPing residues             2
 267    4  20
 268  #OVERLAPing all corrected after             1  random generation
 269 #OVERLAP evdw after   7.13373E+05
 270 Waiting for     0.0393 sec
 271 Waiting for     0.0381 sec
 272 Waiting for     0.0007 sec
 273 Waiting for     0.0383 sec
 274 #OVERLAP evdw > 1d10   1.00000E+20
 275  #OVERLAPing residues             2
 276    3  27
 277  #OVERLAPing all corrected after             1  random generation
 278 #OVERLAP evdw after   2.05955E+02
 279 Waiting for     0.0391 sec
 280 #OVERLAP evdw > 1d10   1.00000E+20
 281  #OVERLAPing residues             4
 282    7  26   9  23
 283  #OVERLAPing all corrected after             1  random generation
 284 #OVERLAP evdw after   2.36119E+06
 285 Waiting for     0.0382 sec
 286 Waiting for     0.0385 sec
 287 #OVERLAP evdw > 1d10   1.00000E+20
 288  #OVERLAPing residues             6
 289    3  26   6  25  17  23
 290  #OVERLAPing all corrected after             1  random generation
 291 #OVERLAP evdw after   2.65782E+14
 292 Waiting for     0.0391 sec
 293 #OVERLAP evdw > 1d10   1.00000E+20
 294  #OVERLAPing residues             4
 295    9  24  11  25
 296  #OVERLAPing all corrected after             1  random generation
 297 #OVERLAP evdw after   4.71073E+07
 298 Waiting for     0.0397 sec
 299 Waiting for     0.0398 sec
 300 Waiting for     0.0007 sec
 301 Waiting for     0.0394 sec
 302 Waiting for     0.0387 sec
 303 Waiting for     0.0395 sec
 304 Waiting for     0.0385 sec
 305 #OVERLAP evdw > 1d10   1.00000E+20
 306  #OVERLAPing residues             2
 307   11  22
 308  #OVERLAPing all corrected after             1  random generation
 309 #OVERLAP evdw after   7.14805E+01
 310 Waiting for     0.0383 sec
 311 #OVERLAP evdw > 1d10   1.00000E+20
 312  #OVERLAPing residues             2
 313    8  27
 314  #OVERLAPing all corrected after             1  random generation
 315 #OVERLAP evdw after   3.80697E+11
 316 Waiting for     0.0387 sec
 317 #OVERLAP evdw > 1d10   1.00000E+20
 318  #OVERLAPing residues             2
 319    7  27
 320  #OVERLAPing all corrected after             1  random generation
 321 #OVERLAP evdw after   1.49643E+13
 322 Waiting for     0.0389 sec
 323 #OVERLAP evdw > 1d10   1.00000E+20
 324  #OVERLAPing residues             2
 325    9  27
 326  #OVERLAPing all corrected after             1  random generation
 327 #OVERLAP evdw after   8.57471E+24
 328 Waiting for     0.0006 sec
 329 Waiting for     0.0380 sec
 330 #OVERLAP evdw > 1d10   7.67370E+37
 331  #OVERLAPing residues             0
 332
 333  #OVERLAPing all corrected after             1  random generation
 334 #OVERLAP evdw after   7.67370E+37
 335 Waiting for     0.0475 sec
 336 Waiting for     0.0391 sec
 337 Waiting for     1.2247 sec
 338 #OVERLAP evdw > 1d10   1.00000E+20
 339  #OVERLAPing residues             2
 340    4  17
 341  #OVERLAPing all corrected after             1  random generation
 342 #OVERLAP evdw after   5.76900E+16
 343 Waiting for     0.0398 sec
 344 Waiting for     0.0005 sec
 345 Waiting for     0.0384 sec
 346 #OVERLAP evdw > 1d10   1.00000E+20
 347  #OVERLAPing residues             2
 348    9  24
 349  #OVERLAPing all corrected after            18  random generation
 350 #OVERLAP evdw after   1.23246E+13
 351 Waiting for     0.0398 sec
 352 Waiting for     0.0007 sec
 353 #OVERLAP evdw > 1d10   1.00000E+20
 354  #OVERLAPing residues             3
 355    8  17   9
 356  #OVERLAPing all corrected after             1  random generation
 357 #OVERLAP evdw after   1.04133E+04
 358 Waiting for     0.0389 sec
 359 Waiting for     0.0396 sec
 360 Waiting for     0.0382 sec
 361 Waiting for     0.0394 sec
 362 #OVERLAP evdw > 1d10   1.00000E+20
 363  #OVERLAPing residues             2
 364    7  22
 365  #OVERLAPing all corrected after             1  random generation
 366 #OVERLAP evdw after   2.63770E+05
 367 Waiting for     0.0385 sec
 368 Waiting for     0.0379 sec
 369 #OVERLAP evdw > 1d10   1.00000E+20
 370  #OVERLAPing residues             4
 371    5  25   9  23
 372  #OVERLAPing all corrected after             2  random generation
 373 #OVERLAP evdw after   2.28509E+08
 374 Waiting for     0.0392 sec
 375 Waiting for     0.0007 sec
 376 #OVERLAP evdw > 1d10   1.00000E+20
 377  #OVERLAPing residues             2
 378    3  17
 379  #OVERLAPing all corrected after             1  random generation
 380 #OVERLAP evdw after   3.01673E+02
 381 Waiting for     0.0382 sec
 382 Waiting for     0.0394 sec
 383 Waiting for     0.0399 sec
 384 #OVERLAP evdw > 1d10   1.00000E+20
 385  #OVERLAPing residues             2
 386    4  11
 387  #OVERLAPing all corrected after             1  random generation
 388 #OVERLAP evdw after   6.07398E+13
 389 Waiting for     0.0384 sec
 390 #OVERLAP evdw > 1d10   1.00000E+20
 391  #OVERLAPing residues             3
 392   17  18  26
 393  #OVERLAPing all corrected after             1  random generation
 394 #OVERLAP evdw after   2.74825E+11
 395 Waiting for     0.0401 sec
 396 Waiting for     0.0396 sec
 397 Waiting for     0.0386 sec
 398 Waiting for     0.0007 sec
 399 #OVERLAP evdw > 1d10   1.00000E+20
 400  #OVERLAPing residues             2
 401    4  15
 402  #OVERLAPing all corrected after             1  random generation
 403 #OVERLAP evdw after   6.23274E+05
 404 Waiting for     0.0395 sec
 405 #OVERLAP evdw > 1d10   6.58018E+21
 406  #OVERLAPing residues             0
 407
 408  #OVERLAPing all corrected after             1  random generation
 409 #OVERLAP evdw after   6.58018E+21
 410 Waiting for     0.0380 sec
 411 Waiting for     0.0389 sec
 412 Waiting for     0.2054 sec
 413 Waiting for     0.0007 sec
 414 #OVERLAP evdw > 1d10   1.00000E+20
 415  #OVERLAPing residues             2
 416   16  27
 417  #OVERLAPing all corrected after             1  random generation
 418 #OVERLAP evdw after  -4.33789E+01
 419 Waiting for     0.0399 sec
 420 Waiting for     0.0379 sec
 421 Waiting for     0.0387 sec
 422 Waiting for     0.0005 sec
 423 #OVERLAP evdw > 1d10   1.00000E+20
 424  #OVERLAPing residues             2
 425    4  21
 426  #OVERLAPing all corrected after             1  random generation
 427 #OVERLAP evdw after  -5.37439E+01
 428 Waiting for     0.0393 sec
 429 Waiting for     0.0392 sec
 430 Waiting for     0.0390 sec
 431 Waiting for     0.0390 sec
 432 Waiting for     0.0382 sec
 433 Waiting for     0.0379 sec
 434 Waiting for     0.0599 sec
 435 Waiting for     0.0392 sec
 436 Waiting for     0.0390 sec
 437 Waiting for     0.0394 sec
 438 Waiting for     0.0380 sec
 439 Waiting for     0.0380 sec
 440 #OVERLAP evdw > 1d10   1.00000E+20
 441  #OVERLAPing residues             4
 442    8  29   9  27
 443  #OVERLAPing all corrected after             2  random generation
 444 #OVERLAP evdw after   2.19378E+22
 445 Waiting for     0.0729 sec
 446 Waiting for     0.0381 sec
 447 Waiting for     0.6379 sec
 448 #OVERLAP evdw > 1d10   3.64949E+22
 449  #OVERLAPing residues             0
 450
 451  #OVERLAPing all corrected after             1  random generation
 452 #OVERLAP evdw after   3.64949E+22
 453 Waiting for     0.0065 sec
 454 Waiting for     0.0397 sec
 455 Waiting for     0.0386 sec
 456 Waiting for     0.0385 sec
 457 Waiting for     0.0396 sec
 458 #OVERLAP evdw > 1d10   1.00000E+20
 459  #OVERLAPing residues             2
 460    5  23
 461  #OVERLAPing all corrected after             1  random generation
 462 #OVERLAP evdw after   6.04707E+14
 463 Waiting for     0.0393 sec
 464 Waiting for     0.0397 sec
 465 Waiting for     0.0382 sec
 466 Waiting for     0.0392 sec
 467 #OVERLAP evdw > 1d10   1.00000E+20
 468  #OVERLAPing residues             2
 469    4  12
 470  #OVERLAPing all corrected after            44  random generation
 471 #OVERLAP evdw after   1.14017E+20
 472 Waiting for     0.0381 sec
 473 Waiting for     0.0385 sec
 474 #OVERLAP evdw > 1d10   1.00000E+20
 475  #OVERLAPing residues             4
 476    6  19   8  23
 477  #OVERLAPing all corrected after             6  random generation
 478 #OVERLAP evdw after   1.24620E+28
 479 Waiting for     0.0398 sec
 480 #OVERLAP evdw > 1d10   1.00000E+20
 481  #OVERLAPing residues             2
 482    9  17
 483  #OVERLAPing all corrected after             1  random generation
 484 #OVERLAP evdw after   1.05901E+07
 485 Waiting for     0.0389 sec
 486 #OVERLAP evdw > 1d10   1.00000E+20
 487  #OVERLAPing residues             4
 488    7  19   8  17
 489  #OVERLAPing all corrected after             5  random generation
 490 #OVERLAP evdw after   3.90004E+08
 491 Waiting for     0.0382 sec
 492 Waiting for     0.0393 sec
 493 Waiting for     0.0396 sec
 494 Waiting for     0.0396 sec
 495 Waiting for     0.0007 sec
 496 Waiting for     0.0390 sec
 497 Waiting for     1.8237 sec
 498 #OVERLAP evdw > 1d10   1.00000E+20
 499  #OVERLAPing residues             4
 500    7  29  20  25
 501  #OVERLAPing all corrected after             1  random generation
 502 #OVERLAP evdw after   5.04887E+11
 503 Waiting for     0.0033 sec
 504 Waiting for     0.0379 sec
 505 Waiting for     0.0378 sec
 506 Waiting for     0.0384 sec
 507 Waiting for     0.3729 sec
 508 Waiting for     0.0004 sec
 509 Waiting for     0.0385 sec
 510 Waiting for     0.0461 sec
 511 Waiting for     0.0396 sec
 512 Waiting for     0.0380 sec
 513 #OVERLAP evdw > 1d10   1.00000E+20
 514  #OVERLAPing residues             2
 515    2  14
 516  #OVERLAPing all corrected after             1  random generation
 517 #OVERLAP evdw after   4.77157E+07
 518 Waiting for     0.0388 sec
 519 Waiting for     0.0393 sec
 520 Waiting for     0.0382 sec
 521 #OVERLAP evdw > 1d10   1.00000E+20
 522  #OVERLAPing residues             5
 523    5  25   7  27  18
 524  #OVERLAPing all corrected after            24  random generation
 525 #OVERLAP evdw after   3.25774E+14
 526 Waiting for     0.0394 sec
 527 Waiting for     0.0007 sec
 528 Waiting for     0.7975 sec
 529 #OVERLAP evdw > 1d10   1.00000E+20
 530  #OVERLAPing residues             4
 531    7  23  11  20
 532  #OVERLAPing all corrected after             1  random generation
 533 #OVERLAP evdw after   2.90767E+08
 534 Waiting for     0.0006 sec
 535 Waiting for     0.0386 sec
 536 #OVERLAP evdw > 1d10   1.00000E+20
 537  #OVERLAPing residues             2
 538    8  20
 539  #OVERLAPing all corrected after             1  random generation
 540 #OVERLAP evdw after   1.11532E+03
 541 Waiting for     0.0394 sec
 542 Waiting for     0.0378 sec
 543 Waiting for     0.7066 sec
 544 Waiting for     0.0008 sec
 545 Waiting for     0.0114 sec
 546 Waiting for     0.0391 sec
 547 Waiting for     0.0383 sec
 548 Waiting for     1.8813 sec
 549 Waiting for     0.0163 sec
 550 Waiting for     0.0390 sec
 551 Waiting for     0.0389 sec
 552 #OVERLAP evdw > 1d10   1.00000E+20
 553  #OVERLAPing residues             4
 554    7  22   9  29
 555  #OVERLAPing all corrected after             4  random generation
 556 #OVERLAP evdw after   7.87625E+05
 557 Waiting for     0.0386 sec
 558 #OVERLAP evdw > 1d10   1.00000E+20
 559  #OVERLAPing residues             2
 560    3  12
 561  #OVERLAPing all corrected after             2  random generation
 562 #OVERLAP evdw after   1.37270E+08
 563 Waiting for     0.0006 sec
 564 Waiting for     0.0397 sec
 565 Waiting for     0.0105 sec
 566 Waiting for     0.0390 sec
 567 #OVERLAP evdw > 1d10   1.00000E+20
 568  #OVERLAPing residues             4
 569    7  19   9  17
 570  #OVERLAPing all corrected after             7  random generation
 571 #OVERLAP evdw after   3.07919E+15
 572 Waiting for     0.0958 sec
 573 Waiting for     0.0166 sec
 574 Waiting for     0.0396 sec
 575 Waiting for     0.0383 sec
 576 Waiting for     0.0381 sec
 577 Waiting for     0.0006 sec
 578 Waiting for     0.0381 sec
 579 Waiting for     0.0393 sec
 580 Waiting for     0.0383 sec
 581 Waiting for     0.0381 sec
 582 Waiting for     0.0383 sec
 583 Waiting for     0.0393 sec
 584 Waiting for     0.0393 sec
 585 #OVERLAP evdw > 1d10   1.00000E+20
 586  #OVERLAPing residues             2
 587    5  11
 588  #OVERLAPing all corrected after             4  random generation
 589 #OVERLAP evdw after   2.76564E+04
 590 Waiting for     0.0008 sec
 591 #OVERLAP evdw > 1d10   1.00000E+20
 592  #OVERLAPing residues             2
 593   15  22
 594  #OVERLAPing all corrected after             1  random generation
 595 #OVERLAP evdw after   1.33340E+06
 596 Waiting for     0.0378 sec
 597 #OVERLAP evdw > 1d10   3.87117E+34
 598  #OVERLAPing residues             0
 599
 600  #OVERLAPing all corrected after             1  random generation
 601 #OVERLAP evdw after   3.87117E+34
 602 Waiting for     0.0383 sec
 603 Waiting for     0.0148 sec
 604 Waiting for     0.0386 sec
 605 Waiting for     0.0394 sec
 606 #OVERLAP evdw > 1d10   1.51374E+32
 607  #OVERLAPing residues             0
 608
 609  #OVERLAPing all corrected after             1  random generation
 610 #OVERLAP evdw after   1.51374E+32
 611 Waiting for     0.0392 sec
 612 Waiting for     0.0381 sec
 613 #OVERLAP evdw > 1d10   1.00000E+20
 614  #OVERLAPing residues             2
 615   11  24
 616  #OVERLAPing all corrected after             1  random generation
 617 #OVERLAP evdw after   5.70417E+03
 618 Waiting for     0.0377 sec
 619 Waiting for     0.0396 sec
 620 Waiting for     0.0396 sec
 621 Waiting for     0.0397 sec
 622 Waiting for     0.0387 sec
 623 Waiting for     0.0389 sec
 624 Waiting for     0.0557 sec
 625 Waiting for     0.0395 sec
 626 #OVERLAP evdw > 1d10   1.00000E+20
 627  #OVERLAPing residues             3
 628    3  17   4
 629  #OVERLAPing all corrected after             1  random generation
 630 #OVERLAP evdw after   5.00277E+06
 631 Waiting for     1.2272 sec
 632 Waiting for     0.0006 sec
 633 #OVERLAP evdw > 1d10   1.00000E+20
 634  #OVERLAPing residues             2
 635    7  26
 636  #OVERLAPing all corrected after             1  random generation
 637 #OVERLAP evdw after   2.38042E+11
 638 Waiting for     0.0383 sec
 639 Waiting for     0.0383 sec
 640 Waiting for     0.0392 sec
 641 Waiting for     0.0394 sec
 642 Waiting for     0.0392 sec
 643 #OVERLAP evdw > 1d10   1.00000E+20
 644  #OVERLAPing residues             2
 645    4  27
 646  #OVERLAPing all corrected after             7  random generation
 647 #OVERLAP evdw after   1.47216E+18
 648 Waiting for     0.0380 sec
 649 #OVERLAP evdw > 1d10   1.00000E+20
 650  #OVERLAPing residues             6
 651    7  14   8  21   9  22
 652  #OVERLAPing all corrected after             3  random generation
 653 #OVERLAP evdw after   1.14047E+11
 654 Waiting for     0.0379 sec
 655 #OVERLAP evdw > 1d10   1.00000E+20
 656  #OVERLAPing residues             5
 657    6  17   7   8  14
 658  #OVERLAPing all corrected after            36  random generation
 659 #OVERLAP evdw after   1.47639E+14
 660 Waiting for     0.0007 sec
 661 Waiting for     0.0399 sec
 662 Waiting for     0.0380 sec
 663 Waiting for     0.0390 sec
 664 Waiting for     0.0396 sec
 665 Waiting for     0.0385 sec
 666 Waiting for     0.0386 sec
 667 Waiting for     0.0389 sec
 668 Waiting for     0.0006 sec
 669 Waiting for     0.0393 sec
 670 #OVERLAP evdw > 1d10   1.00000E+20
 671  #OVERLAPing residues             6
 672    2  25   4  27  11  13
 673  #OVERLAPing all corrected after             3  random generation
 674 #OVERLAP evdw after   1.96662E+18
 675 Waiting for     0.0380 sec
 676 Waiting for     0.0392 sec
 677 #OVERLAP evdw > 1d10   1.00000E+20
 678  #OVERLAPing residues             2
 679   17  20
 680  #OVERLAPing all corrected after             1  random generation
 681 #OVERLAP evdw after   3.64246E+06
 682 Waiting for     0.0379 sec
 683 Waiting for     0.0387 sec
 684 Waiting for     0.0393 sec
 685 Waiting for     0.0380 sec
 686 Waiting for     0.0395 sec
 687 Waiting for     0.0384 sec
 688 Waiting for     0.0396 sec
 689 #OVERLAP evdw > 1d10   1.00000E+20
 690  #OVERLAPing residues             4
 691    4  15   7  20
 692  #OVERLAPing all corrected after             1  random generation
 693 #OVERLAP evdw after   1.28501E+07
 694 Waiting for     0.0382 sec
 695 Waiting for     0.0527 sec
 696 Waiting for     0.0395 sec
 697 Waiting for     1.0548 sec
 698 Waiting for     0.0007 sec
 699 #OVERLAP evdw > 1d10   1.00000E+20
 700  #OVERLAPing residues             4
 701    7  26  10  25
 702  #OVERLAPing NOT all corrected             2
 703   10  25
 704 #OVERLAP evdw after   1.00000E+20
 705 Waiting for     0.0396 sec
 706 #OVERLAP evdw > 1d10   1.00000E+20
 707  #OVERLAPing residues             2
 708    4  29
 709  #OVERLAPing all corrected after             1  random generation
 710 #OVERLAP evdw after   3.91422E+07
 711 Waiting for     0.0395 sec
 712 Waiting for     0.0395 sec
 713 #OVERLAP evdw > 1d10   1.00000E+20
 714  #OVERLAPing residues             2
 715    5  27
 716  #OVERLAPing all corrected after             1  random generation
 717 #OVERLAP evdw after   1.01331E+05
 718 Waiting for     1.8837 sec
 719 Waiting for     0.0007 sec
 720 Waiting for     0.0391 sec
 721 #OVERLAP evdw > 1d10   1.00000E+20
 722  #OVERLAPing residues             2
 723   11  27
 724  #OVERLAPing all corrected after            40  random generation
 725 #OVERLAP evdw after   4.04360E+19
 726 Waiting for     0.0387 sec
 727 #OVERLAP evdw > 1d10   1.00000E+20
 728  #OVERLAPing residues             4
 729    3  20   7  14
 730  #OVERLAPing all corrected after             1  random generation
 731 #OVERLAP evdw after   1.43969E+10
 732 Waiting for     0.0387 sec
 733 Waiting for     0.0383 sec
 734 Waiting for     0.0006 sec
 735 Waiting for     0.0391 sec
 736 Waiting for     0.0381 sec
 737 Waiting for     0.0383 sec
 738 Waiting for     0.0392 sec
 739 #OVERLAP evdw > 1d10   1.00000E+20
 740  #OVERLAPing residues             2
 741    8  11
 742  #OVERLAPing all corrected after             1  random generation
 743 #OVERLAP evdw after   2.55467E+02
 744 Waiting for     0.0400 sec
 745 Waiting for     0.0396 sec
 746 Waiting for     0.0395 sec
 747 #OVERLAP evdw > 1d10   1.00000E+20
 748  #OVERLAPing residues             2
 749    5  25
 750  #OVERLAPing all corrected after             1  random generation
 751 #OVERLAP evdw after   2.75583E+08
 752 Waiting for     0.3503 sec
 753 Waiting for     0.0387 sec
 754 #OVERLAP evdw > 1d10   1.00000E+20
 755  #OVERLAPing residues             2
 756   20  22
 757  #OVERLAPing all corrected after             1  random generation
 758 #OVERLAP evdw after   8.86396E+05
 759 Waiting for     0.0393 sec
 760 Waiting for     0.0384 sec
 761 #OVERLAP evdw > 1d10   1.00000E+20
 762  #OVERLAPing residues             2
 763    8  25
 764  #OVERLAPing all corrected after            20  random generation
 765 #OVERLAP evdw after   2.25640E+22
 766 Waiting for     0.0525 sec
 767 Waiting for     0.0395 sec
 768 #OVERLAP evdw > 1d10   1.00000E+20
 769  #OVERLAPing residues             2
 770   12  17
 771  #OVERLAPing all corrected after             1  random generation
 772 #OVERLAP evdw after  -5.67377E+01
 773 Waiting for     1.9350 sec
 774 Waiting for     0.0015 sec
 775 Waiting for     0.0382 sec
 776 Waiting for     0.0167 sec
 777 Waiting for     0.0384 sec
 778 #OVERLAP evdw > 1d10   1.00000E+20
 779  #OVERLAPing residues             3
 780    4  27  20
 781  #OVERLAPing all corrected after             1  random generation
 782 #OVERLAP evdw after   3.35606E+40
 783 Waiting for     0.0393 sec
 784 Waiting for     0.0388 sec
 785 Waiting for     0.0394 sec
 786 Waiting for     0.0399 sec
 787 Waiting for     0.0392 sec
 788 #OVERLAP evdw > 1d10   1.00000E+20
 789  #OVERLAPing residues             2
 790    7  18
 791  #OVERLAPing all corrected after             1  random generation
 792 #OVERLAP evdw after   7.22186E+08
 793 Waiting for     0.0384 sec
 794 Waiting for     0.0344 sec
 795 Waiting for     0.0388 sec
 796 #OVERLAP evdw > 1d10   1.00000E+20
 797  #OVERLAPing residues             2
 798    4  19
 799  #OVERLAPing all corrected after             1  random generation
 800 #OVERLAP evdw after   1.62252E+14
 801 Waiting for     0.0682 sec
 802 #OVERLAP evdw > 1d10   9.29872E+22
 803  #OVERLAPing residues             0
 804
 805  #OVERLAPing all corrected after             1  random generation
 806 #OVERLAP evdw after   9.29872E+22
 807 Waiting for     0.0380 sec
 808 Waiting for     0.0380 sec
 809 Waiting for     0.0388 sec
 810 Waiting for     0.0396 sec
 811 Waiting for     0.0397 sec
 812 Waiting for     0.0394 sec
 813 #OVERLAP evdw > 1d10   1.00000E+20
 814  #OVERLAPing residues             2
 815    9  25
 816  #OVERLAPing all corrected after             1  random generation
 817 #OVERLAP evdw after   6.62535E+14
 818 Waiting for     0.0394 sec
 819 Waiting for     0.0380 sec
 820 Waiting for     0.0393 sec
 821 Waiting for     0.0394 sec
 822 Waiting for     0.0396 sec
 823 #OVERLAP evdw > 1d10   1.00000E+20
 824  #OVERLAPing residues             2
 825    7  23
 826  #OVERLAPing all corrected after             1  random generation
 827 #OVERLAP evdw after   2.65404E+07
 828 Waiting for     0.0379 sec
 829 Waiting for     0.0379 sec
 830 Waiting for     0.0384 sec
 831 #OVERLAP evdw > 1d10   1.00000E+20
 832  #OVERLAPing residues             2
 833    9  18
 834  #OVERLAPing all corrected after             1  random generation
 835 #OVERLAP evdw after   1.47767E+09
 836 Waiting for     0.0005 sec
 837 Waiting for     0.0382 sec
 838 Waiting for     0.0393 sec
 839 Waiting for     0.0389 sec
 840 Waiting for     0.0607 sec
 841 Waiting for     0.0379 sec
 842 Waiting for     0.0770 sec
 843 Waiting for     0.0378 sec
 844 Waiting for     0.0007 sec
 845 Waiting for     0.0391 sec
 846 #OVERLAP evdw > 1d10   1.00000E+20
 847  #OVERLAPing residues             2
 848    4  24
 849  #OVERLAPing all corrected after             2  random generation
 850 #OVERLAP evdw after  -1.44464E+01
 851 Waiting for     0.0382 sec
 852 #OVERLAP evdw > 1d10   1.00000E+20
 853  #OVERLAPing residues             2
 854    4  17
 855  #OVERLAPing all corrected after             1  random generation
 856 #OVERLAP evdw after   1.46887E+08
 857 Waiting for     0.0385 sec
 858 Waiting for     0.0394 sec
 859 Waiting for     0.0391 sec
 860 Waiting for     0.0382 sec
 861 Waiting for     0.0390 sec
 862 Waiting for     0.0378 sec
 863 Waiting for     0.0008 sec
 864 Waiting for     2.1353 sec
 865 Waiting for     0.0006 sec
 866 Waiting for     0.0384 sec
 867 #OVERLAP evdw > 1d10   1.00000E+20
 868  #OVERLAPing residues             2
 869    2  17
 870  #OVERLAPing all corrected after             1  random generation
 871 #OVERLAP evdw after   4.72629E+09
 872 Waiting for     0.0397 sec
 873 Waiting for     0.0385 sec
 874 Waiting for     0.0384 sec
 875 Waiting for     0.0384 sec
 876 Waiting for     0.0219 sec
 877 Waiting for     0.0393 sec
 878 #OVERLAP evdw > 1d10   9.92672E+24
 879  #OVERLAPing residues             0
 880
 881  #OVERLAPing all corrected after             1  random generation
 882 #OVERLAP evdw after   9.92672E+24
 883 Waiting for     0.0393 sec
 884 #OVERLAP evdw > 1d10   1.00000E+20
 885  #OVERLAPing residues             2
 886    7  19
 887  #OVERLAPing all corrected after             1  random generation
 888 #OVERLAP evdw after   1.60764E+05
 889 Waiting for     0.0392 sec
 890 #OVERLAP evdw > 1d10   1.00000E+20
 891  #OVERLAPing residues             2
 892    5  25
 893  #OVERLAPing all corrected after             2  random generation
 894 #OVERLAP evdw after   1.75292E+35
 895 Waiting for     0.0378 sec
 896 Waiting for     0.0394 sec
 897 Waiting for     0.0391 sec
 898 Waiting for     0.0393 sec
 899 Waiting for     0.0245 sec
 900 Waiting for     0.0384 sec
 901 Waiting for     0.0382 sec
 902 #OVERLAP evdw > 1d10   1.00000E+20
 903  #OVERLAPing residues             2
 904    2  25
 905  #OVERLAPing all corrected after             1  random generation
 906 #OVERLAP evdw after   5.09401E+12
 907 Waiting for     0.0380 sec
 908 #OVERLAP evdw > 1d10   1.00000E+20
 909  #OVERLAPing residues             2
 910   14  23
 911  #OVERLAPing all corrected after             1  random generation
 912 #OVERLAP evdw after   7.28915E+07
 913 Waiting for     0.0394 sec
 914 Waiting for     0.0382 sec
 915 #OVERLAP evdw > 1d10   1.00000E+20
 916  #OVERLAPing residues             2
 917    7  20
 918  #OVERLAPing all corrected after             1  random generation
 919 #OVERLAP evdw after   1.49063E+05
 920 Waiting for     0.0380 sec
 921 #OVERLAP evdw > 1d10   1.00000E+20
 922  #OVERLAPing residues             2
 923   13  29
 924  #OVERLAPing all corrected after             1  random generation
 925 #OVERLAP evdw after   6.61783E+06
 926 Waiting for     0.0389 sec
 927 Waiting for     1.2399 sec
 928 Waiting for     0.0187 sec
 929 Waiting for     0.0395 sec
 930 Waiting for     0.0380 sec
 931 Waiting for     0.0395 sec
 932 #OVERLAP evdw > 1d10   1.00000E+20
 933  #OVERLAPing residues             2
 934   11  29
 935  #OVERLAPing all corrected after             1  random generation
 936 #OVERLAP evdw after   9.51178E+02
 937 Waiting for     0.0387 sec
 938 Waiting for     0.0390 sec
 939 Waiting for     0.0392 sec
 940 Waiting for     0.0395 sec
 941 Waiting for     0.0394 sec
 942 Waiting for     0.0389 sec
 943 Waiting for     0.0381 sec
 944 Waiting for     0.0378 sec
 945 #OVERLAP evdw > 1d10   1.00000E+20
 946  #OVERLAPing residues             2
 947    9  14
 948  #OVERLAPing all corrected after             1  random generation
 949 #OVERLAP evdw after   1.33649E+08
 950 Waiting for     0.0381 sec
 951 Waiting for     0.0401 sec
 952 #OVERLAP evdw > 1d10   1.00000E+20
 953  #OVERLAPing residues             2
 954    6  19
 955  #OVERLAPing all corrected after             1  random generation
 956 #OVERLAP evdw after   7.39154E+12
 957 Waiting for     0.0389 sec
 958 Waiting for     0.0385 sec
 959 Waiting for     0.0006 sec
 960 #OVERLAP evdw > 1d10   1.00000E+20
 961  #OVERLAPing residues             2
 962   17  19
 963  #OVERLAPing all corrected after             1  random generation
 964 #OVERLAP evdw after   6.34743E+11
 965 Waiting for     0.0398 sec
 966 Waiting for     1.5718 sec
 967 Waiting for     0.0009 sec
 968 #OVERLAP evdw > 1d10   5.25481E+21
 969  #OVERLAPing residues             0
 970
 971  #OVERLAPing all corrected after             1  random generation
 972 #OVERLAP evdw after   5.25481E+21
 973 Waiting for     0.0384 sec
 974 #OVERLAP evdw > 1d10   1.00000E+20
 975  #OVERLAPing residues             2
 976    7  23
 977  #OVERLAPing all corrected after             2  random generation
 978 #OVERLAP evdw after   8.58021E+15
 979 Waiting for     0.0400 sec
 980 Waiting for     0.0382 sec
 981 Waiting for     0.0384 sec
 982 Waiting for     0.4184 sec
 983 #OVERLAP evdw > 1d10   1.00000E+20
 984  #OVERLAPing residues             2
 985    5  13
 986  #OVERLAPing all corrected after           198  random generation
 987 #OVERLAP evdw after   2.47091E+34
 988 Waiting for     0.0007 sec
 989 Waiting for     0.0381 sec
 990 Waiting for     0.0394 sec
 991 Waiting for     0.0381 sec
 992 Waiting for     0.0396 sec
 993 #OVERLAP evdw > 1d10   1.00000E+20
 994  #OVERLAPing residues             2
 995    7  10
 996  #OVERLAPing all corrected after             2  random generation
 997 #OVERLAP evdw after  -3.30134E+01
 998 Waiting for     0.0381 sec
 999 #OVERLAP evdw > 1d10   1.00000E+20
1000  #OVERLAPing residues             2
1001    4  25
1002  #OVERLAPing all corrected after             1  random generation
1003 #OVERLAP evdw after   2.11981E+07
1004 Waiting for     0.0385 sec
1005 #OVERLAP evdw > 1d10   1.00000E+20
1006  #OVERLAPing residues             2
1007    9  24
1008  #OVERLAPing all corrected after             1  random generation
1009 #OVERLAP evdw after   3.80130E+18
1010 Waiting for     0.0388 sec
1011 Waiting for     0.0008 sec
1012 Waiting for     0.0391 sec
1013 Waiting for     1.3196 sec
1014 #OVERLAP evdw > 1d10   1.00000E+20
1015  #OVERLAPing residues             2
1016    4  14
1017  #OVERLAPing all corrected after             1  random generation
1018 #OVERLAP evdw after  -4.87021E+01
1019 Waiting for     0.0307 sec
1020 #OVERLAP evdw > 1d10   1.00000E+20
1021  #OVERLAPing residues             2
1022   24  27
1023  #OVERLAPing all corrected after             1  random generation
1024 #OVERLAP evdw after   7.58164E+02
1025 Waiting for     0.0390 sec
1026 Waiting for     0.0385 sec
1027 Waiting for     0.0386 sec
1028 Waiting for     0.0396 sec
1029  End of minim, proc            1 time     3399.002461000000
1030 Processor   1 is finishing work.
1031  Total time    3435.702054000000       sec