-------------------------------------------------------------------------------- FILE ASSIGNMENT -------------------------------------------------------------------------------- Input file : 1fsd_CASP5.inp Output file : 1fsd_CASP5.out_GB026 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= 26 iseed(4)= 0 0 -18 -31706 ran_num 0.7329905033111572 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 1.3277 sec Waiting for 0.0003 sec Waiting for 0.0392 sec Waiting for 1.2193 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 24 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 1.84229E+03 Waiting for 0.0391 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.19681E+02 Waiting for 0.0694 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.22800E+06 Waiting for 0.0381 sec Waiting for 0.0386 sec Waiting for 0.0381 sec Waiting for 0.0384 sec Waiting for 0.0003 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 5 27 16 25 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 2.56531E+17 Waiting for 0.0378 sec Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 6 5 27 8 26 18 29 #OVERLAPing all corrected after 7 random generation #OVERLAP evdw after 1.55081E+26 Waiting for 0.0669 sec Waiting for 0.0386 sec Waiting for 0.0374 sec Waiting for 0.0392 sec Waiting for 0.0685 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 15 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.46673E+14 Waiting for 0.0378 sec Waiting for 0.0686 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 17 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.57038E+01 Waiting for 0.0378 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 9.02562E+04 Waiting for 0.0380 sec Waiting for 0.0440 sec Waiting for 0.0380 sec Waiting for 0.0393 sec Waiting for 0.0388 sec Waiting for 0.0379 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 12 18 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.58778E+05 Waiting for 0.0713 sec Waiting for 0.0758 sec Waiting for 0.0405 sec Waiting for 0.0698 sec Waiting for 0.0382 sec Waiting for 0.1013 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.15964E+03 Waiting for 0.0003 sec Waiting for 0.0466 sec Waiting for 0.0003 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 13 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.18256E+11 Waiting for 0.0406 sec Waiting for 0.0391 sec Waiting for 0.0381 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 3 26 4 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.08297E+13 Waiting for 0.0487 sec Waiting for 0.0667 sec Waiting for 0.0389 sec #OVERLAP evdw > 1d10 5.70861E+28 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.70861E+28 Waiting for 0.0380 sec Waiting for 0.0452 sec Waiting for 0.0383 sec Waiting for 0.0379 sec Waiting for 0.0387 sec Waiting for 0.5391 sec Waiting for 0.0002 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 5 8 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.85541E+20 Waiting for 0.0385 sec Waiting for 0.0382 sec Waiting for 0.0383 sec Waiting for 0.0390 sec Waiting for 0.0711 sec Waiting for 0.0514 sec Waiting for 0.0558 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.16211E+06 Waiting for 0.0379 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 6 14 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.90243E+09 Waiting for 0.0387 sec Waiting for 0.0384 sec Waiting for 0.0404 sec Waiting for 0.0208 sec Waiting for 0.0390 sec Waiting for 0.0379 sec Waiting for 0.0399 sec Waiting for 0.0381 sec Waiting for 0.0390 sec Waiting for 0.0389 sec Waiting for 0.0384 sec Waiting for 0.0384 sec Waiting for 0.0378 sec Waiting for 0.0388 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 3 17 4 19 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.62432E+14 Waiting for 0.0386 sec Waiting for 0.0375 sec Waiting for 0.0374 sec Waiting for 0.0392 sec Waiting for 0.0376 sec Waiting for 0.0382 sec Waiting for 0.0393 sec Waiting for 0.0376 sec Waiting for 0.0378 sec Waiting for 0.0380 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 23 #OVERLAPing all corrected after 12 random generation #OVERLAP evdw after 1.10216E+15 Waiting for 0.0390 sec Waiting for 0.0381 sec Waiting for 0.0376 sec Waiting for 1.3810 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 4 13 7 25 #OVERLAPing all corrected after 8 random generation #OVERLAP evdw after 8.91615E+28 Waiting for 0.0003 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.77542E+04 Waiting for 0.0567 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 4 29 7 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.91049E+09 Waiting for 0.0378 sec Waiting for 0.0670 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 12 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.31901E+07 Waiting for 0.0382 sec Waiting for 0.0881 sec Waiting for 0.0002 sec Waiting for 0.0387 sec Waiting for 0.0379 sec Waiting for 0.0383 sec Waiting for 0.0489 sec Waiting for 0.0381 sec Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 5 23 17 20 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 4.52538E+03 Waiting for 0.0383 sec Waiting for 0.0378 sec Waiting for 0.0381 sec Waiting for 0.0391 sec Waiting for 0.0393 sec Waiting for 0.0383 sec Waiting for 0.0377 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.20582E+18 Waiting for 0.0390 sec Waiting for 1.1190 sec Waiting for 0.0002 sec Waiting for 0.0475 sec Waiting for 0.0374 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 18 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.38733E+14 Waiting for 0.0003 sec Waiting for 0.0375 sec Waiting for 0.0384 sec Waiting for 0.0384 sec Waiting for 0.0405 sec Waiting for 0.0583 sec Waiting for 0.0392 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 7 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.86759E+05 Waiting for 0.0382 sec Waiting for 0.0377 sec Waiting for 0.0383 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 5 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.36261E+07 Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 6 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.17038E+07 Waiting for 0.0375 sec Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 6 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.49051E+11 Waiting for 1.7490 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.14646E+13 Waiting for 0.0003 sec Waiting for 0.0728 sec Waiting for 0.0383 sec Waiting for 0.0003 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 13 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.00290E+05 Waiting for 0.0576 sec Waiting for 0.0374 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 21 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 2.95152E+08 Waiting for 0.0377 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.70847E+02 Waiting for 0.0386 sec Waiting for 1.7275 sec Waiting for 0.0002 sec Waiting for 0.0377 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 5 17 #OVERLAPing all corrected after 603 random generation #OVERLAP evdw after 8.56629E+25 Waiting for 0.0108 sec Waiting for 0.0389 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 23 #OVERLAPing all corrected after 13 random generation #OVERLAP evdw after 7.85361E+15 Waiting for 0.0391 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 9 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.70664E+08 Waiting for 0.0166 sec Waiting for 0.0380 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.99135E+09 Waiting for 0.0579 sec Waiting for 0.0558 sec Waiting for 0.9785 sec Waiting for 0.0151 sec Waiting for 0.0381 sec Waiting for 0.1165 sec Waiting for 0.0003 sec Waiting for 0.0377 sec Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after -3.40293E+01 Waiting for 0.0712 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 6 7 20 11 24 13 19 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 2.34173E+20 Waiting for 0.0375 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 6 25 #OVERLAPing NOT all corrected 3 6 25 7 #OVERLAP evdw after 1.00000E+20 Waiting for 0.0380 sec Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 26 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 9.60278E+09 Waiting for 0.0378 sec Waiting for 0.0469 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.50790E+07 Waiting for 0.0381 sec Waiting for 0.0493 sec Waiting for 0.0418 sec Waiting for 0.0392 sec Waiting for 0.0489 sec Waiting for 0.0004 sec Waiting for 0.0603 sec Waiting for 0.0376 sec Waiting for 0.0381 sec Waiting for 0.0389 sec #OVERLAP evdw > 1d10 4.11436E+24 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.11436E+24 Waiting for 0.0387 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 24 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.53461E+02 Waiting for 0.0482 sec Waiting for 0.0379 sec Waiting for 0.0940 sec Waiting for 0.0376 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.27522E+12 Waiting for 0.0387 sec Waiting for 0.0378 sec Waiting for 0.0377 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 9 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after -2.90737E+01 Waiting for 0.2012 sec Waiting for 0.0002 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.32080E+10 Waiting for 0.0393 sec Waiting for 0.0936 sec Waiting for 0.0525 sec Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 6 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.62436E+06 Waiting for 0.0482 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.34759E+06 Waiting for 0.0390 sec Waiting for 0.0375 sec Waiting for 0.0381 sec Waiting for 0.0379 sec Waiting for 0.0388 sec Waiting for 0.0003 sec Waiting for 0.0377 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.36770E+09 Waiting for 0.0375 sec Waiting for 1.3071 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 7 23 9 20 #OVERLAPing all corrected after 11 random generation #OVERLAP evdw after 3.43620E+14 Waiting for 0.0003 sec Waiting for 0.0709 sec Waiting for 0.0389 sec Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 16 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.17080E+09 Waiting for 0.0387 sec Waiting for 0.0388 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 8 2 22 4 24 5 25 6 26 #OVERLAPing all corrected after 303 random generation #OVERLAP evdw after 9.72497E+23 Waiting for 0.0386 sec Waiting for 0.0388 sec Waiting for 0.0374 sec Waiting for 0.0896 sec Waiting for 0.0002 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.51854E+12 Waiting for 0.0389 sec Waiting for 0.0382 sec Waiting for 0.0381 sec Waiting for 1.2913 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 11 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.61098E+04 Waiting for 0.0002 sec Waiting for 0.0378 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 24 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.25701E+04 Waiting for 0.0387 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 13 28 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.60349E+09 Waiting for 1.3075 sec Waiting for 0.0003 sec Waiting for 0.0392 sec Waiting for 0.0003 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.61140E+09 Waiting for 0.0567 sec Waiting for 0.0381 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 16 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.44114E+02 Waiting for 0.0563 sec Waiting for 0.0388 sec Waiting for 0.0383 sec Waiting for 0.0388 sec Waiting for 0.0389 sec Waiting for 0.0391 sec Waiting for 0.0375 sec Waiting for 0.0374 sec Waiting for 0.0788 sec Waiting for 1.5060 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.43709E+12 Waiting for 0.0425 sec Waiting for 0.0375 sec Waiting for 0.0392 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 15 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.81650E+11 Waiting for 1.4898 sec Waiting for 0.0002 sec #OVERLAP evdw > 1d10 3.60236E+28 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.60236E+28 Waiting for 0.0379 sec Waiting for 0.0379 sec Waiting for 0.0487 sec Waiting for 0.0391 sec Waiting for 0.0384 sec Waiting for 0.0780 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 17 19 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.92133E+07 Waiting for 0.0002 sec Waiting for 0.0073 sec Waiting for 0.0595 sec Waiting for 0.0375 sec Waiting for 0.0379 sec Waiting for 0.0381 sec Waiting for 0.0590 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 4 24 7 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.74286E+14 Waiting for 0.0490 sec Waiting for 0.0654 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 19 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.22455E+06 Waiting for 0.0375 sec Waiting for 0.0388 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 12 26 13 25 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.86221E+11 Waiting for 0.0526 sec Waiting for 0.0374 sec Waiting for 0.0375 sec Waiting for 0.0702 sec Waiting for 0.0640 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.20799E+04 Waiting for 0.0390 sec Waiting for 0.0385 sec Waiting for 0.0376 sec Waiting for 0.0392 sec Waiting for 0.0382 sec Waiting for 0.0384 sec Waiting for 0.0387 sec Waiting for 0.0748 sec Waiting for 0.0610 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 23 #OVERLAPing all corrected after 8 random generation #OVERLAP evdw after 1.35587E+07 Waiting for 0.0377 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 21 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.87954E+09 Waiting for 0.0003 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 17 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.62668E+16 Waiting for 0.0378 sec Waiting for 0.0375 sec Waiting for 0.0383 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 2 17 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 3.63264E+13 Waiting for 0.0380 sec Waiting for 0.0378 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.24358E+01 Waiting for 0.0393 sec Waiting for 0.0383 sec Waiting for 0.0384 sec Waiting for 0.0380 sec Waiting for 0.0653 sec Waiting for 0.0379 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 23 #OVERLAPing all corrected after 12 random generation #OVERLAP evdw after 2.73846E+12 Waiting for 0.0375 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 20 25 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 4.42080E+04 Waiting for 0.0385 sec Waiting for 0.0374 sec Waiting for 0.0378 sec Waiting for 0.0392 sec Waiting for 0.0379 sec Waiting for 0.0744 sec Waiting for 0.0449 sec Waiting for 0.0386 sec Waiting for 0.1062 sec #OVERLAP evdw > 1d10 5.76433E+26 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.76433E+26 Waiting for 0.0003 sec Waiting for 0.0388 sec Waiting for 0.0376 sec Waiting for 0.0566 sec Waiting for 0.0546 sec Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.25949E+06 Waiting for 1.2702 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.32119E+07 Waiting for 0.0002 sec Waiting for 0.0388 sec Waiting for 0.0644 sec Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 29 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after -5.30911E+01 Waiting for 0.0455 sec Waiting for 0.0392 sec Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 12 #OVERLAPing all corrected after 5 random generation #OVERLAP evdw after 2.94233E+22 Waiting for 0.0373 sec Waiting for 0.0719 sec Waiting for 0.0384 sec Waiting for 0.0381 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 13 28 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.37836E+11 Waiting for 0.0623 sec Waiting for 1.0230 sec Waiting for 0.0270 sec Waiting for 0.0376 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 2 22 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.07111E+13 Waiting for 0.0379 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 7 14 9 25 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 3.23912E+06 Waiting for 0.0380 sec Waiting for 0.0380 sec Waiting for 0.0436 sec Waiting for 0.0383 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 2 27 16 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.24304E+02 Waiting for 0.0673 sec Waiting for 0.0583 sec Waiting for 1.4070 sec Waiting for 0.0002 sec Waiting for 0.0410 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 4 18 11 25 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 3.09689E+19 Waiting for 0.0380 sec Waiting for 0.0380 sec Waiting for 0.0378 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.84375E+08 Waiting for 0.0378 sec Waiting for 0.0391 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.32247E+12 Waiting for 0.0754 sec Waiting for 0.0375 sec Waiting for 0.0389 sec Waiting for 0.0386 sec Waiting for 0.0375 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 6 25 7 27 #OVERLAPing NOT all corrected 2 6 25 #OVERLAP evdw after 1.00000E+20 Waiting for 0.0378 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 18 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.31145E+17 Waiting for 2.7385 sec Waiting for 0.0391 sec Waiting for 0.0386 sec Waiting for 0.0390 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 4 26 15 27 #OVERLAPing all corrected after 38 random generation #OVERLAP evdw after 5.82186E+16 Waiting for 0.0603 sec Waiting for 0.0384 sec Waiting for 0.0472 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.02265E+02 Waiting for 0.0384 sec Waiting for 0.0392 sec Waiting for 0.0390 sec Waiting for 0.0003 sec Waiting for 0.0926 sec Waiting for 0.5142 sec Waiting for 0.0659 sec Waiting for 0.0727 sec Waiting for 0.0483 sec Waiting for 0.0387 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 12 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.22379E+13 Waiting for 0.0387 sec Waiting for 0.0375 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 9 25 11 27 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 5.33984E+21 Waiting for 0.0388 sec Waiting for 0.0721 sec Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 7 4 17 23 9 20 12 29 #OVERLAPing all corrected after 8 random generation #OVERLAP evdw after 9.71423E+17 Waiting for 0.0401 sec #OVERLAP evdw > 1d10 1.36024E+28 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.36024E+28 Waiting for 0.0386 sec Waiting for 0.0375 sec Waiting for 0.0385 sec End of minim, proc 26 time 3399.315381000000 Processor 26 is finishing work. Total time 3435.714238000000 sec