-------------------------------------------------------------------------------- FILE ASSIGNMENT -------------------------------------------------------------------------------- Input file : 1fsd_CASP5.inp Output file : 1fsd_CASP5.out_GB027 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= 27 iseed(4)= 0 0 -19 -11035 ran_num 0.6490265727043152 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 1.3296 sec Waiting for 0.0007 sec Waiting for 0.0383 sec Waiting for 1.2165 sec Waiting for 0.0388 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.06518E+06 Waiting for 0.0529 sec Waiting for 0.0626 sec Waiting for 0.0384 sec Waiting for 0.0397 sec Waiting for 0.0389 sec Waiting for 0.0006 sec Waiting for 0.0389 sec Waiting for 0.0379 sec Waiting for 1.1154 sec Waiting for 0.0008 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 12 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 9.13577E+00 Waiting for 0.0509 sec Waiting for 0.0393 sec Waiting for 0.0388 sec Waiting for 0.0816 sec Waiting for 0.0521 sec Waiting for 0.0004 sec Waiting for 0.0383 sec Waiting for 0.0387 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 3 22 5 13 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.77444E+03 Waiting for 0.0394 sec Waiting for 0.0392 sec Waiting for 0.0397 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.70648E+10 Waiting for 0.0388 sec Waiting for 0.0007 sec Waiting for 0.0383 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 15 19 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.44716E+06 Waiting for 0.0382 sec Waiting for 0.0381 sec Waiting for 0.0398 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 11 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.71674E+16 Waiting for 0.0389 sec #OVERLAP evdw > 1d10 3.06344E+21 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.06344E+21 Waiting for 0.0385 sec Waiting for 0.0385 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 20 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.65866E+06 Waiting for 0.0379 sec Waiting for 0.0825 sec Waiting for 0.0749 sec Waiting for 0.0397 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.12755E+06 Waiting for 0.0392 sec Waiting for 0.0389 sec Waiting for 0.7567 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.50812E+15 Waiting for 0.0004 sec Waiting for 0.0378 sec #OVERLAP evdw > 1d10 1.54651E+32 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.54651E+32 Waiting for 0.0380 sec Waiting for 0.0388 sec Waiting for 0.0695 sec Waiting for 0.0400 sec Waiting for 0.0385 sec Waiting for 0.0398 sec Waiting for 0.0303 sec Waiting for 0.0391 sec Waiting for 1.3406 sec Waiting for 0.0004 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 5 19 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.33632E+16 Waiting for 0.0390 sec Waiting for 0.0388 sec Waiting for 0.0388 sec Waiting for 1.6892 sec #OVERLAP evdw > 1d10 5.97421E+25 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.97421E+25 Waiting for 0.0443 sec Waiting for 0.0395 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 3 9 22 25 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 3.09241E+11 Waiting for 0.0384 sec Waiting for 0.0870 sec Waiting for 0.8750 sec Waiting for 0.0317 sec Waiting for 0.0383 sec Waiting for 0.0392 sec Waiting for 0.0383 sec Waiting for 0.0006 sec Waiting for 0.0610 sec Waiting for 0.0389 sec Waiting for 0.0385 sec Waiting for 0.0382 sec Waiting for 0.0384 sec Waiting for 0.0390 sec Waiting for 0.0383 sec Waiting for 0.0398 sec Waiting for 0.0378 sec Waiting for 0.0393 sec Waiting for 0.0419 sec Waiting for 0.1861 sec Waiting for 0.0595 sec Waiting for 0.0270 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 22 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.41629E+08 Waiting for 0.0378 sec Waiting for 0.0007 sec Waiting for 0.0391 sec Waiting for 0.0723 sec Waiting for 0.0532 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 5 14 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.07335E+11 Waiting for 0.0548 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 6 4 17 5 13 7 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.67500E+08 Waiting for 0.0383 sec Waiting for 0.0494 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 17 26 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 5.61113E+04 Waiting for 0.0383 sec Waiting for 0.0668 sec Waiting for 0.0389 sec Waiting for 0.0391 sec Waiting for 0.0379 sec Waiting for 0.0396 sec Waiting for 0.0396 sec Waiting for 0.0396 sec Waiting for 0.1425 sec Waiting for 0.0386 sec Waiting for 0.0384 sec Waiting for 0.0394 sec Waiting for 0.0656 sec Waiting for 0.0396 sec Waiting for 0.0379 sec Waiting for 0.0476 sec Waiting for 0.0407 sec Waiting for 0.0508 sec Waiting for 0.3936 sec Waiting for 0.0007 sec Waiting for 0.0461 sec Waiting for 0.0446 sec Waiting for 0.0715 sec Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 27 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 9.44628E+05 Waiting for 0.0385 sec Waiting for 0.0387 sec Waiting for 0.0542 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 12 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.99784E+10 Waiting for 0.0387 sec Waiting for 0.0394 sec Waiting for 0.0390 sec Waiting for 0.0392 sec Waiting for 0.0394 sec Waiting for 0.7365 sec Waiting for 0.0008 sec Waiting for 0.0393 sec Waiting for 0.0005 sec Waiting for 0.0377 sec Waiting for 0.0391 sec Waiting for 0.0388 sec Waiting for 0.0389 sec Waiting for 0.0388 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 24 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.73549E+04 Waiting for 0.6901 sec Waiting for 0.0006 sec Waiting for 0.0007 sec Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.92098E+11 Waiting for 0.0393 sec Waiting for 0.0397 sec Waiting for 0.0397 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 2 27 4 10 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.52532E+02 Waiting for 0.0382 sec Waiting for 0.0386 sec Waiting for 0.0389 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 5 7 19 8 17 10 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.72438E+07 Waiting for 0.0394 sec Waiting for 0.0395 sec Waiting for 0.0386 sec Waiting for 0.0383 sec Waiting for 0.0605 sec Waiting for 0.0388 sec Waiting for 0.0381 sec Waiting for 0.0396 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 15 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.62247E+07 Waiting for 0.0395 sec Waiting for 0.0006 sec Waiting for 0.0386 sec Waiting for 0.0379 sec Waiting for 0.0765 sec Waiting for 0.0384 sec Waiting for 0.0395 sec Waiting for 0.0395 sec Waiting for 0.0400 sec Waiting for 0.7575 sec Waiting for 0.0384 sec Waiting for 0.0395 sec Waiting for 0.0628 sec Waiting for 0.0391 sec Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.99349E+09 Waiting for 0.0383 sec Waiting for 0.0593 sec Waiting for 0.0382 sec Waiting for 0.1846 sec Waiting for 0.0005 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 17 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 2.64085E+06 Waiting for 0.0378 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.53142E+06 Waiting for 0.0380 sec Waiting for 0.0385 sec Waiting for 0.0489 sec Waiting for 0.0438 sec Waiting for 0.0394 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 5 27 7 29 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 2.27381E+08 Waiting for 0.0007 sec Waiting for 0.8861 sec Waiting for 0.0366 sec Waiting for 0.0394 sec Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 23 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 6.59959E+08 Waiting for 0.0388 sec Waiting for 0.0384 sec Waiting for 0.0620 sec Waiting for 0.0368 sec Waiting for 0.0399 sec Waiting for 0.0380 sec Waiting for 0.0379 sec Waiting for 0.0379 sec Waiting for 0.0390 sec Waiting for 0.0395 sec Waiting for 0.0395 sec Waiting for 0.0394 sec Waiting for 0.0007 sec Waiting for 0.1144 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 23 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.67580E+06 Waiting for 0.0007 sec Waiting for 0.0394 sec Waiting for 0.0389 sec Waiting for 0.0383 sec Waiting for 0.0748 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 25 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 8.95896E+24 Waiting for 0.0383 sec Waiting for 0.0006 sec Waiting for 0.0394 sec Waiting for 0.0750 sec #OVERLAP evdw > 1d10 1.19821E+22 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.19821E+22 Waiting for 0.0386 sec Waiting for 0.0398 sec Waiting for 0.0380 sec Waiting for 0.0385 sec Waiting for 0.0382 sec Waiting for 0.0007 sec Waiting for 0.0382 sec Waiting for 0.0382 sec Waiting for 0.0385 sec Waiting for 0.0384 sec Waiting for 0.0389 sec Waiting for 0.0618 sec Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 9 25 11 27 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.95114E+12 Waiting for 0.0382 sec Waiting for 0.0007 sec Waiting for 0.0394 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.62733E+04 Waiting for 0.0380 sec Waiting for 0.0446 sec Waiting for 0.0389 sec Waiting for 0.0395 sec Waiting for 0.0585 sec Waiting for 0.0393 sec Waiting for 0.0382 sec Waiting for 0.0384 sec Waiting for 0.1606 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 26 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.32255E+20 Waiting for 0.0740 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 23 #OVERLAPing all corrected after 8 random generation #OVERLAP evdw after 3.14121E+28 Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 24 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after -3.05462E+01 Waiting for 0.0398 sec Waiting for 0.0390 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 5 27 11 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.16021E+14 Waiting for 0.5265 sec Waiting for 0.0395 sec Waiting for 0.0394 sec Waiting for 0.0006 sec Waiting for 0.0431 sec Waiting for 0.0387 sec Waiting for 0.0391 sec Waiting for 0.0388 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 16 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after -1.56870E+01 Waiting for 0.0397 sec Waiting for 0.0007 sec Waiting for 0.0395 sec Waiting for 0.0394 sec Waiting for 0.0383 sec Waiting for 0.0394 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 2 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.78954E+03 Waiting for 0.0381 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 6 22 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.50794E+08 Waiting for 0.0501 sec Waiting for 0.0822 sec Waiting for 0.0007 sec Waiting for 0.0395 sec Waiting for 0.0378 sec Waiting for 0.0396 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 12 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.36300E+02 Waiting for 0.0397 sec Waiting for 0.0873 sec Waiting for 0.0007 sec Waiting for 0.0384 sec Waiting for 0.0078 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 13 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.85665E+10 Waiting for 0.0555 sec Waiting for 0.6018 sec Waiting for 0.0383 sec Waiting for 0.0378 sec Waiting for 0.0379 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 4 25 8 13 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.67632E+07 Waiting for 0.0383 sec Waiting for 0.0394 sec Waiting for 0.0384 sec Waiting for 0.0390 sec Waiting for 0.0383 sec Waiting for 0.0390 sec Waiting for 0.0388 sec Waiting for 0.0596 sec Waiting for 0.0391 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 17 25 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 3.33331E+14 Waiting for 0.0395 sec Waiting for 0.0395 sec Waiting for 0.0007 sec Waiting for 0.0393 sec Waiting for 0.0383 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.72163E+06 Waiting for 0.0380 sec Waiting for 0.0381 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.40982E+10 Waiting for 0.0383 sec Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 27 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 5.74713E+08 Waiting for 0.0394 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 3 2 27 9 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.45587E+16 Waiting for 0.0006 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 5 12 26 13 25 14 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 1.11578E+09 Waiting for 0.0399 sec Waiting for 0.0382 sec Waiting for 0.0386 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.27196E+06 Waiting for 0.0389 sec Waiting for 0.0386 sec Waiting for 0.0515 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 17 #OVERLAPing all corrected after 5 random generation #OVERLAP evdw after 1.56763E+20 Waiting for 0.0512 sec Waiting for 0.0624 sec Waiting for 0.0388 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 21 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.32589E+25 Waiting for 0.0390 sec Waiting for 0.0383 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 5 6 13 7 14 15 #OVERLAPing all corrected after 16 random generation #OVERLAP evdw after 1.72281E+23 Waiting for 0.0384 sec Waiting for 0.0765 sec Waiting for 0.0490 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 6 3 20 6 27 7 28 #OVERLAPing NOT all corrected 2 6 27 #OVERLAP evdw after 1.00000E+20 Waiting for 0.0396 sec Waiting for 0.0393 sec Waiting for 1.7098 sec Waiting for 0.0167 sec Waiting for 0.0392 sec Waiting for 0.0397 sec Waiting for 0.0769 sec Waiting for 0.7601 sec Waiting for 0.0376 sec Waiting for 0.0391 sec Waiting for 0.0170 sec Waiting for 0.0394 sec Waiting for 1.2918 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 26 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 4.88960E+04 Waiting for 0.0381 sec Waiting for 0.0385 sec Waiting for 0.0381 sec Waiting for 0.0380 sec Waiting for 0.0379 sec Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 17 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 2.63405E+18 Waiting for 0.0384 sec Waiting for 0.0392 sec Waiting for 0.0381 sec Waiting for 0.0582 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 24 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.38984E+12 Waiting for 0.0384 sec Waiting for 1.4612 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 5 6 17 7 23 8 #OVERLAPing NOT all corrected 2 6 17 #OVERLAP evdw after 1.00000E+20 Waiting for 0.0008 sec Waiting for 0.0391 sec Waiting for 0.0004 sec Waiting for 0.0596 sec Waiting for 0.0385 sec Waiting for 0.0382 sec Waiting for 0.0389 sec Waiting for 0.0543 sec Waiting for 0.0392 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 10 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.76581E+05 Waiting for 0.0642 sec Waiting for 0.0486 sec Waiting for 0.0008 sec Waiting for 0.0389 sec Waiting for 0.0527 sec Waiting for 0.0381 sec Waiting for 0.5603 sec Waiting for 0.0006 sec Waiting for 0.0397 sec Waiting for 0.0398 sec Waiting for 0.0007 sec Waiting for 0.5243 sec Waiting for 0.0006 sec Waiting for 0.0452 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.98669E+10 Waiting for 0.0553 sec Waiting for 0.0394 sec Waiting for 0.0380 sec End of minim, proc 27 time 3403.873495000000 Processor 27 is finishing work. Total time 3435.702536000000 sec