-------------------------------------------------------------------------------- FILE ASSIGNMENT -------------------------------------------------------------------------------- Input file : 1fsd_CASP5.inp Output file : 1fsd_CASP5.out_GB031 Sidechain potential file : /users/adam/UNRES/PARAM/scinter_GB.parm SCp potential file : /users/adam/UNRES/PARAM/scp.parm Electrostatic potential file : /users/adam/UNRES/PARAM/electr_631Gdp.parm Cumulant coefficient file : /users/adam/UNRES/PARAM/fourier_opt.parm.1igd_iter7n_c Torsional parameter file : /users/adam/UNRES/PARAM/torsion_631Gdp.parm Double torsional parameter file : /users/adam/UNRES/PARAM/torsion_double_631Gdp.parm Bending parameter file : /users/adam/UNRES/PARAM/thetaml.5parm Rotamer parameter file : /users/adam/UNRES/PARAM/scgauss.parm Threading database : /users/adam/UNRES/PARAM/patterns.cart -------------------------------------------------------------------------------- ### LAST MODIFIED 7/31/03 10:23PM by czarek ++++ Compile info ++++ Version 2.0 build 1566 compiled Thu Aug 28 03:23:43 2003 compiled by czarek@scheraga2 OS name: Linux OS release: 2.4.20-18.7smp OS version: #1 SMP Thu May 29 07:49:23 EDT 2003 flags: INSTALL_DIR = /usr/local/mpich-1.2.0 FC= pgf90 OPT = -fast -pc 64 -tp p6 \ -Minline=name:scalar2,scalar,transpose2,matvec2... OPT1 = -C -g -fast -pc 64 -tp p6 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include FFLAGS1 = -c ${OPT1} -I$(INSTALL_DIR)/include BIN = ${HOME}/UNRES/NEW/bin/unres_pgf90.exe LIBS = -L$(INSTALL_DIR)/lib_pgi -lmpich CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI -DPGI ARCH = LINUX PP = /lib/cpp -P objectCSA = unres_CSA.o arcos.o cartprint.o cha... ++++ End of compile info ++++ ntortyp 3 Potential is GB , exponents are 6 12 Random seed: -44865. -44865 MPI: node= 31 iseed(4)= 0 0 -21 -59423 ran_num 0.3131707608699799 RMSDBC = 3.0 RMSDBC1 = 0.5 RMSDBC1MAX = 1.5 DRMS = 0.1 RMSDBCM = 3.0 Time limit (min): 60.0 ******************************************************************************** Options in energy minimization: ******************************************************************************** MaxMin: 2000 MaxFun: 5000 TolF: 1.00000E-02 RTolF: 1.00000E-04 NCONF_IN 0 Weights of energy terms: Wsc: 1.000 Wscp: 1.549 Welec: 0.200 Wel_loc 1.511 Wstrain: 1.000 Wtor: 1.705 Wtor_d: 1.244 Wang: 1.006 Wscloc: 0.068 Wcorr: 0.916 Wcorr5: 0.006 Wcorr6: 0.023 Wturn3: 2.008 Wturn4: 0.053 Wturn6: 0.053 Hydrogen-bonding correlation between contact pairs of peptide groups Scaling factor of 1,4 SC-p interactions: 0.400 General scaling factor of SC-p interactions: 1.000 ns= 0 iss: Boundaries in phi angle sampling: D 1 -180.0 180.0 GLN 2 -180.0 180.0 GLN 3 -180.0 180.0 TYR 4 -180.0 180.0 THR 5 -180.0 180.0 ALA 6 -180.0 180.0 LYS 7 -180.0 180.0 ILE 8 -180.0 180.0 LYS 9 -180.0 180.0 GLY 10 -180.0 180.0 ARG 11 -180.0 180.0 THR 12 -180.0 180.0 PHE 13 -180.0 180.0 ARG 14 -180.0 180.0 ASN 15 -180.0 180.0 GLU 16 -180.0 180.0 LYS 17 -180.0 180.0 GLU 18 -180.0 180.0 LEU 19 -180.0 180.0 ARG 20 -180.0 180.0 ASP 21 -180.0 180.0 PHE 22 -180.0 180.0 ILE 23 -180.0 180.0 GLU 24 -180.0 180.0 LYS 25 -180.0 180.0 PHE 26 -180.0 180.0 LYS 27 -180.0 180.0 GLY 28 -180.0 180.0 ARG 29 -180.0 180.0 D 30 -180.0 180.0 NZ_START= 2 NZ_END= 29 IZ_SC= 0 Geometry of the virtual chain. Res Theta Phi Dsc Alpha Omega D 1 0.000 0.000 0.000 0.000 0.000 GLN 2 0.000 0.000 2.240 0.000 0.000 GLN 3 0.000 0.000 2.240 0.000 0.000 TYR 4 0.000 0.000 2.484 0.000 0.000 THR 5 0.000 0.000 1.393 0.000 0.000 ALA 6 0.000 0.000 0.743 0.000 0.000 LYS 7 0.000 0.000 2.541 0.000 0.000 ILE 8 0.000 0.000 1.776 0.000 0.000 LYS 9 0.000 0.000 2.541 0.000 0.000 GLY 10 0.000 0.000 0.000 0.000 0.000 ARG 11 0.000 0.000 3.020 0.000 0.000 THR 12 0.000 0.000 1.393 0.000 0.000 PHE 13 0.000 0.000 2.299 0.000 0.000 ARG 14 0.000 0.000 3.020 0.000 0.000 ASN 15 0.000 0.000 1.684 0.000 0.000 GLU 16 0.000 0.000 2.254 0.000 0.000 LYS 17 0.000 0.000 2.541 0.000 0.000 GLU 18 0.000 0.000 2.254 0.000 0.000 LEU 19 0.000 0.000 1.939 0.000 0.000 ARG 20 0.000 0.000 3.020 0.000 0.000 ASP 21 0.000 0.000 1.709 0.000 0.000 PHE 22 0.000 0.000 2.299 0.000 0.000 ILE 23 0.000 0.000 1.776 0.000 0.000 GLU 24 0.000 0.000 2.254 0.000 0.000 LYS 25 0.000 0.000 2.541 0.000 0.000 PHE 26 0.000 0.000 2.299 0.000 0.000 LYS 27 0.000 0.000 2.541 0.000 0.000 GLY 28 0.000 0.000 0.000 0.000 0.000 ARG 29 0.000 0.000 3.020 0.000 0.000 D 30 0.000 0.000 0.000 0.000 0.000 CSA calculations calculation. Conformations will be energy-minimized. ******************************************************************************** Waiting for 1.3270 sec Waiting for 0.0005 sec Waiting for 0.0684 sec Waiting for 1.2163 sec Waiting for 0.0384 sec Waiting for 0.0382 sec Waiting for 0.0383 sec Waiting for 1.2888 sec Waiting for 0.0006 sec Waiting for 0.0735 sec Waiting for 0.0382 sec Waiting for 0.0395 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 9.55480E+07 Waiting for 0.7030 sec Waiting for 0.0388 sec Waiting for 0.0384 sec Waiting for 0.0386 sec Waiting for 0.0396 sec Waiting for 0.8409 sec Waiting for 0.0007 sec Waiting for 0.0007 sec Waiting for 0.0381 sec Waiting for 0.0390 sec Waiting for 0.0380 sec Waiting for 0.0386 sec Waiting for 0.0380 sec Waiting for 0.0590 sec Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 11 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.73520E+06 Waiting for 0.0397 sec Waiting for 0.0390 sec Waiting for 0.0385 sec Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 13 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.48710E+12 Waiting for 0.0571 sec Waiting for 0.0381 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 12 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.96894E+05 Waiting for 0.0390 sec Waiting for 0.0380 sec Waiting for 0.0007 sec Waiting for 0.0395 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 7 20 9 22 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 8.24096E+10 Waiting for 0.0381 sec Waiting for 0.0396 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 27 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 3.16916E+05 Waiting for 0.0388 sec Waiting for 0.0586 sec Waiting for 0.0397 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 11 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.31500E+01 Waiting for 0.0395 sec Waiting for 0.0390 sec Waiting for 0.0794 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 19 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.88640E+02 Waiting for 0.0704 sec Waiting for 0.0382 sec Waiting for 0.0392 sec Waiting for 0.0390 sec Waiting for 0.0660 sec Waiting for 0.0396 sec Waiting for 0.0215 sec Waiting for 0.0391 sec Waiting for 0.0389 sec Waiting for 0.0581 sec Waiting for 0.0754 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 13 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.33134E+04 Waiting for 0.0379 sec Waiting for 0.0388 sec Waiting for 0.0388 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 21 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.09797E+04 Waiting for 0.0396 sec Waiting for 0.0680 sec Waiting for 0.0600 sec Waiting for 0.0504 sec Waiting for 0.0389 sec Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 24 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.54480E+03 Waiting for 0.0391 sec #OVERLAP evdw > 1d10 8.05337E+21 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.05337E+21 Waiting for 0.0008 sec Waiting for 0.0393 sec Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 12 25 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 9.81101E+05 Waiting for 0.0378 sec Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 29 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 8.77933E+17 Waiting for 0.0386 sec Waiting for 0.0393 sec Waiting for 0.0392 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 22 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.72073E+01 Waiting for 0.0381 sec Waiting for 0.0399 sec Waiting for 0.0006 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 26 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 4.03418E+03 Waiting for 0.0832 sec Waiting for 0.0006 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 3 4 17 22 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.43688E+10 Waiting for 0.0391 sec Waiting for 0.5084 sec Waiting for 0.0007 sec Waiting for 0.0387 sec Waiting for 0.0008 sec Waiting for 0.0387 sec Waiting for 0.0390 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 25 #OVERLAPing all corrected after 6 random generation #OVERLAP evdw after 1.25678E+15 Waiting for 0.0394 sec Waiting for 0.0397 sec Waiting for 0.0389 sec Waiting for 0.0396 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 25 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 3.32255E+08 Waiting for 0.0399 sec Waiting for 0.0385 sec Waiting for 0.0386 sec Waiting for 0.0395 sec Waiting for 0.0639 sec Waiting for 0.0390 sec Waiting for 0.0397 sec Waiting for 0.0381 sec Waiting for 0.0389 sec Waiting for 0.0389 sec Waiting for 0.0006 sec Waiting for 0.0378 sec Waiting for 0.0397 sec Waiting for 0.0746 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 14 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.93417E+12 Waiting for 0.0386 sec Waiting for 0.0384 sec Waiting for 0.0395 sec Waiting for 0.0394 sec Waiting for 1.5278 sec Waiting for 0.0383 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 12 24 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.99013E+08 Waiting for 0.0684 sec Waiting for 0.0381 sec Waiting for 0.0396 sec Waiting for 0.0392 sec Waiting for 0.7688 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 4 11 7 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 9.92339E+09 Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 11 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.03542E+10 Waiting for 0.0387 sec Waiting for 0.0392 sec Waiting for 1.9399 sec Waiting for 0.0004 sec Waiting for 0.0380 sec Waiting for 0.0393 sec Waiting for 0.0387 sec Waiting for 0.1480 sec Waiting for 0.0357 sec Waiting for 0.0382 sec Waiting for 0.0382 sec Waiting for 1.3022 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 24 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.60597E+12 Waiting for 0.0005 sec Waiting for 0.0389 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 4 29 5 26 #OVERLAPing all corrected after 27 random generation #OVERLAP evdw after 3.91048E+21 Waiting for 0.0592 sec Waiting for 0.0379 sec Waiting for 0.0006 sec Waiting for 0.0396 sec Waiting for 0.0381 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 5 14 26 16 25 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.62226E+17 Waiting for 0.0382 sec Waiting for 0.0397 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 6 23 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 5.14471E+20 Waiting for 0.0482 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 7 23 9 13 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.44285E+06 Waiting for 0.0381 sec Waiting for 1.2375 sec Waiting for 0.0007 sec Waiting for 0.0446 sec Waiting for 0.0432 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.18095E+13 Waiting for 0.0397 sec Waiting for 0.0381 sec Waiting for 0.0399 sec Waiting for 0.0394 sec Waiting for 0.0397 sec Waiting for 0.2102 sec Waiting for 0.0004 sec Waiting for 0.0394 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 5 20 7 21 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.86677E+09 Waiting for 0.0383 sec Waiting for 0.0391 sec Waiting for 0.0395 sec Waiting for 1.3913 sec Waiting for 0.0006 sec Waiting for 0.0384 sec Waiting for 0.0006 sec Waiting for 0.0387 sec Waiting for 0.0397 sec Waiting for 0.2776 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.12133E+09 Waiting for 0.0005 sec Waiting for 0.0388 sec Waiting for 0.0380 sec #OVERLAP evdw > 1d10 9.40747E+20 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 9.40747E+20 Waiting for 0.0388 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 5 11 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.17734E+15 Waiting for 0.0501 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.50428E+04 Waiting for 0.0379 sec Waiting for 0.0445 sec Waiting for 0.0398 sec Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 8 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.09026E+04 Waiting for 0.0383 sec Waiting for 0.0630 sec Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.36689E+10 Waiting for 0.0400 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 10 16 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.35540E+06 Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 29 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 2.37787E+07 Waiting for 1.5444 sec Waiting for 0.0006 sec Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 2 27 7 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.39531E+12 Waiting for 0.0399 sec Waiting for 0.0378 sec Waiting for 0.0380 sec Waiting for 0.0754 sec Waiting for 0.0249 sec Waiting for 0.0393 sec Waiting for 0.0389 sec Waiting for 0.0390 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 18 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.31757E+13 Waiting for 0.0391 sec Waiting for 0.0401 sec Waiting for 0.0389 sec Waiting for 0.0394 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 16 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.93238E+09 Waiting for 0.0386 sec Waiting for 0.0006 sec Waiting for 0.0396 sec Waiting for 0.0385 sec Waiting for 0.0383 sec Waiting for 0.0607 sec Waiting for 0.0387 sec Waiting for 0.0391 sec Waiting for 0.1206 sec Waiting for 0.0118 sec Waiting for 0.0389 sec Waiting for 0.0382 sec Waiting for 0.0568 sec Waiting for 0.6513 sec Waiting for 0.0006 sec Waiting for 0.0697 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 24 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.21112E+16 Waiting for 0.0585 sec Waiting for 0.0442 sec Waiting for 0.0398 sec Waiting for 0.3357 sec Waiting for 0.0734 sec Waiting for 0.0381 sec Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.63911E+05 Waiting for 0.0381 sec Waiting for 0.0395 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 7 25 9 27 #OVERLAPing all corrected after 7 random generation #OVERLAP evdw after 1.22029E+18 Waiting for 0.0381 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.00524E+10 Waiting for 0.0034 sec Waiting for 0.0382 sec Waiting for 0.0391 sec Waiting for 0.0380 sec Waiting for 0.0379 sec Waiting for 0.0385 sec Waiting for 0.0384 sec Waiting for 0.0387 sec Waiting for 0.0047 sec Waiting for 0.0389 sec Waiting for 0.0388 sec Waiting for 0.0605 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 5 4 14 27 19 25 #OVERLAPing all corrected after 8 random generation #OVERLAP evdw after 4.93660E+13 Waiting for 0.0385 sec Waiting for 0.0384 sec Waiting for 0.0498 sec Waiting for 0.0383 sec Waiting for 0.0007 sec Waiting for 0.0386 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 15 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 7.96482E+08 Waiting for 0.0382 sec Waiting for 0.0391 sec Waiting for 0.0602 sec Waiting for 0.0379 sec Waiting for 0.0394 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 3 7 25 8 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.57690E+05 Waiting for 0.0389 sec Waiting for 0.0395 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 7 5 20 7 26 27 9 25 #OVERLAPing all corrected after 5 random generation #OVERLAP evdw after 4.43351E+10 Waiting for 0.0008 sec Waiting for 0.0395 sec Waiting for 0.0382 sec Waiting for 0.0396 sec Waiting for 0.0393 sec Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 19 26 20 23 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.60861E+14 Waiting for 0.0387 sec Waiting for 1.5148 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 17 27 18 26 #OVERLAPing all corrected after 4 random generation #OVERLAP evdw after 1.06706E+18 Waiting for 0.0396 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 5 11 #OVERLAPing all corrected after 6 random generation #OVERLAP evdw after 2.73830E+12 Waiting for 0.0383 sec Waiting for 0.0391 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 3 7 23 26 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 2.78853E+19 Waiting for 0.0389 sec Waiting for 1.3759 sec Waiting for 0.0059 sec Waiting for 0.0476 sec Waiting for 0.0041 sec Waiting for 0.6848 sec Waiting for 0.0005 sec Waiting for 0.0394 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.23799E+09 Waiting for 0.0383 sec Waiting for 0.0490 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 17 21 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.64456E+02 Waiting for 0.0553 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.64437E+18 Waiting for 0.0884 sec Waiting for 0.0007 sec Waiting for 0.0389 sec Waiting for 0.0460 sec Waiting for 0.0394 sec Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 20 22 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.27312E+03 Waiting for 0.0383 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 23 #OVERLAPing all corrected after 8 random generation #OVERLAP evdw after 4.26203E+16 Waiting for 0.0380 sec Waiting for 0.0378 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 3 25 4 8 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.61142E+06 Waiting for 0.0397 sec Waiting for 0.0007 sec Waiting for 0.0387 sec Waiting for 0.0397 sec Waiting for 0.0391 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 10 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.54850E+05 Waiting for 0.0380 sec Waiting for 0.0400 sec Waiting for 0.0395 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 4 9 12 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.25158E+14 Waiting for 0.0671 sec Waiting for 0.0045 sec Waiting for 0.0456 sec Waiting for 0.0393 sec Waiting for 0.0393 sec Waiting for 0.0389 sec Waiting for 0.0720 sec Waiting for 1.9651 sec Waiting for 0.0004 sec Waiting for 0.0392 sec Waiting for 0.0383 sec Waiting for 0.0394 sec Waiting for 0.2385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 5 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.79487E+05 Waiting for 0.0363 sec Waiting for 0.0393 sec Waiting for 0.0392 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 5 25 #OVERLAPing NOT all corrected 2 5 25 #OVERLAP evdw after 1.00000E+20 Waiting for 0.0382 sec Waiting for 0.0637 sec Waiting for 0.0088 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.46714E+04 Waiting for 0.0379 sec Waiting for 0.0393 sec Waiting for 0.0392 sec Waiting for 0.0388 sec Waiting for 0.0378 sec Waiting for 0.0389 sec Waiting for 0.0395 sec Waiting for 0.0356 sec Waiting for 0.0395 sec Waiting for 0.0393 sec Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 26 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 4.57114E+09 Waiting for 0.0389 sec Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 4 20 6 17 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 9.05433E+07 Waiting for 0.0456 sec Waiting for 0.0388 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 4 19 7 21 #OVERLAPing all corrected after 9 random generation #OVERLAP evdw after 3.66710E+25 Waiting for 0.0007 sec Waiting for 0.0380 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.62650E+08 Waiting for 0.0392 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 21 #OVERLAPing all corrected after 25 random generation #OVERLAP evdw after 1.17045E+12 Waiting for 0.0764 sec Waiting for 0.0662 sec Waiting for 0.0380 sec Waiting for 0.0392 sec Waiting for 0.0384 sec Waiting for 0.0392 sec Waiting for 2.6806 sec Waiting for 0.0004 sec Waiting for 0.0390 sec Waiting for 0.0381 sec Waiting for 0.0381 sec Waiting for 0.0385 sec Waiting for 0.0555 sec Waiting for 0.0381 sec Waiting for 0.0056 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 6 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.44635E+01 Waiting for 2.7208 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 12 #OVERLAPing all corrected after 63 random generation #OVERLAP evdw after 1.21362E+11 Waiting for 0.0007 sec Waiting for 0.0390 sec Waiting for 0.0394 sec Waiting for 0.0387 sec Waiting for 0.0387 sec Waiting for 0.0388 sec Waiting for 0.0456 sec Waiting for 0.0397 sec Waiting for 0.0395 sec Waiting for 0.0383 sec End of minim, proc 31 time 3397.924506999999 Processor 31 is finishing work. Total time 3435.704852999999 sec