-------------------------------------------------------------------------------- FILE ASSIGNMENT -------------------------------------------------------------------------------- Input file : 1fsd_CASP5.inp Output file : 1fsd_CASP5.out_GB029 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= 29 iseed(4)= 0 0 -20 -35229 ran_num 0.4810986518859863 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 0.0006 sec Waiting for 0.0378 sec Waiting for 1.2173 sec Waiting for 0.0626 sec Waiting for 0.0383 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 13 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 9.43947E+06 Waiting for 0.0891 sec Waiting for 0.0004 sec Waiting for 0.0397 sec Waiting for 0.0391 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 2 18 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 9.51207E+03 Waiting for 0.0007 sec Waiting for 0.0475 sec Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.70353E+07 Waiting for 0.0480 sec Waiting for 0.0648 sec Waiting for 0.0446 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 5 7 14 22 9 21 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 3.00099E+10 Waiting for 0.0383 sec Waiting for 0.7291 sec Waiting for 0.0138 sec Waiting for 0.0397 sec Waiting for 0.0389 sec Waiting for 0.0392 sec Waiting for 0.0386 sec Waiting for 0.0999 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 9 27 11 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.35321E+08 Waiting for 0.0008 sec Waiting for 0.0398 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.07852E+05 Waiting for 0.0388 sec Waiting for 0.0007 sec Waiting for 0.0388 sec Waiting for 0.0397 sec Waiting for 0.0390 sec Waiting for 0.0384 sec Waiting for 0.0397 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.02408E+05 Waiting for 0.0391 sec Waiting for 0.0389 sec Waiting for 0.0354 sec Waiting for 0.0392 sec Waiting for 0.0391 sec Waiting for 0.0394 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 15 #OVERLAPing all corrected after 198 random generation #OVERLAP evdw after 1.01914E+26 Waiting for 0.0388 sec Waiting for 0.0388 sec Waiting for 0.0388 sec Waiting for 0.0389 sec Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 22 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.14893E+14 Waiting for 0.0177 sec Waiting for 0.0379 sec Waiting for 0.0389 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 10 27 #OVERLAPing NOT all corrected 2 10 27 #OVERLAP evdw after 1.00000E+20 Waiting for 0.0382 sec Waiting for 0.0389 sec Waiting for 0.0397 sec Waiting for 0.0919 sec Waiting for 1.8303 sec Waiting for 0.0007 sec Waiting for 0.0611 sec Waiting for 0.0379 sec Waiting for 0.0400 sec Waiting for 0.0392 sec Waiting for 0.0396 sec Waiting for 0.0390 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 22 #OVERLAPing all corrected after 5 random generation #OVERLAP evdw after 4.19221E+11 Waiting for 0.0393 sec Waiting for 0.0007 sec Waiting for 0.0386 sec Waiting for 0.0380 sec Waiting for 0.0389 sec Waiting for 0.0389 sec Waiting for 0.0384 sec Waiting for 0.0387 sec Waiting for 0.0786 sec Waiting for 0.0053 sec Waiting for 0.0380 sec Waiting for 0.0388 sec Waiting for 0.9285 sec Waiting for 0.0007 sec Waiting for 0.0392 sec Waiting for 0.0378 sec Waiting for 0.0380 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 8 25 17 22 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.86729E+10 Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 8 26 9 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.92859E+05 Waiting for 0.0007 sec Waiting for 0.0393 sec Waiting for 0.0486 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 16 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.48550E+05 Waiting for 0.0695 sec Waiting for 0.0745 sec Waiting for 0.0381 sec Waiting for 0.0664 sec Waiting for 0.0991 sec Waiting for 0.0007 sec Waiting for 0.0389 sec Waiting for 0.0388 sec Waiting for 0.0940 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 15 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.41050E+09 Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.98601E+04 Waiting for 0.0390 sec Waiting for 0.0387 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.82477E+07 Waiting for 0.0385 sec Waiting for 0.0384 sec Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 5 9 25 27 17 19 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.85821E+17 Waiting for 0.0384 sec Waiting for 0.4663 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 9.47221E+06 Waiting for 0.0006 sec Waiting for 0.0394 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 19 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 4.70861E+20 Waiting for 0.0378 sec Waiting for 0.0395 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.48148E+12 Waiting for 0.0396 sec Waiting for 0.0004 sec Waiting for 0.0383 sec Waiting for 0.0397 sec Waiting for 0.0693 sec Waiting for 0.0388 sec Waiting for 0.0383 sec Waiting for 1.4471 sec Waiting for 0.0007 sec Waiting for 0.0006 sec Waiting for 0.0396 sec Waiting for 0.0392 sec Waiting for 0.0387 sec Waiting for 0.0396 sec Waiting for 0.0378 sec Waiting for 0.0383 sec Waiting for 0.0382 sec Waiting for 0.0397 sec Waiting for 0.0008 sec Waiting for 0.0379 sec Waiting for 0.0389 sec Waiting for 0.0393 sec Waiting for 0.0389 sec Waiting for 0.0395 sec Waiting for 0.0396 sec Waiting for 0.0463 sec Waiting for 0.0008 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 5 25 #OVERLAPing all corrected after 6 random generation #OVERLAP evdw after 3.96275E+17 Waiting for 0.0510 sec Waiting for 0.0381 sec Waiting for 1.2261 sec Waiting for 0.0006 sec Waiting for 0.0398 sec Waiting for 0.0397 sec Waiting for 0.0382 sec Waiting for 0.0022 sec Waiting for 1.4205 sec Waiting for 0.0005 sec Waiting for 0.1022 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 16 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.70676E+13 Waiting for 0.0004 sec Waiting for 0.0616 sec Waiting for 0.0389 sec Waiting for 0.0380 sec Waiting for 0.0382 sec Waiting for 0.0110 sec Waiting for 0.0380 sec Waiting for 0.0382 sec Waiting for 0.0398 sec Waiting for 0.0473 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 22 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.20151E+10 Waiting for 0.0390 sec Waiting for 0.8931 sec Waiting for 0.0488 sec Waiting for 0.0007 sec Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.29907E+11 Waiting for 0.0380 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 20 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.42698E+25 Waiting for 0.0384 sec Waiting for 1.8131 sec Waiting for 0.0007 sec Waiting for 0.0392 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 5 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.07967E+08 Waiting for 0.0381 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 5 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.58617E+33 Waiting for 0.0388 sec Waiting for 0.0394 sec Waiting for 0.0727 sec Waiting for 0.0731 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 5 7 25 8 9 24 #OVERLAPing all corrected after 710 random generation #OVERLAP evdw after 7.41321E+13 Waiting for 0.0380 sec Waiting for 0.0382 sec Waiting for 1.1846 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 7 5 25 11 27 12 22 13 #OVERLAPing all corrected after 10 random generation #OVERLAP evdw after 5.15452E+16 Waiting for 0.0004 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 19 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 2.68396E+08 Waiting for 0.0387 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 14 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.26432E+29 Waiting for 0.0385 sec Waiting for 0.0396 sec Waiting for 0.0395 sec Waiting for 0.0392 sec Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.04604E+05 Waiting for 0.0403 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.94086E+07 Waiting for 0.0386 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 5 10 27 14 20 22 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 3.78518E+08 Waiting for 0.0384 sec Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 6 10 20 11 21 13 22 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 2.70691E+11 Waiting for 0.0387 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 21 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.16148E+08 Waiting for 0.0603 sec Waiting for 0.0392 sec Waiting for 0.0379 sec Waiting for 0.0391 sec Waiting for 0.0171 sec Waiting for 0.0383 sec Waiting for 0.0737 sec Waiting for 0.0383 sec Waiting for 0.0379 sec Waiting for 0.0388 sec Waiting for 0.0737 sec Waiting for 0.0393 sec Waiting for 0.0382 sec Waiting for 0.0380 sec Waiting for 0.0669 sec Waiting for 0.0394 sec Waiting for 0.0382 sec Waiting for 0.0401 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 17 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.10849E+06 Waiting for 0.0396 sec Waiting for 0.0386 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 3 6 27 7 #OVERLAPing NOT all corrected 2 6 27 #OVERLAP evdw after 1.00000E+20 Waiting for 0.0391 sec Waiting for 0.0007 sec Waiting for 0.0388 sec Waiting for 0.0381 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 18 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.27499E+03 Waiting for 0.9751 sec Waiting for 0.0004 sec Waiting for 0.0382 sec Waiting for 0.0384 sec Waiting for 0.0396 sec Waiting for 0.0007 sec Waiting for 0.0395 sec Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 14 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 9.95964E+09 Waiting for 0.0397 sec Waiting for 0.0393 sec Waiting for 0.0485 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.62906E+06 Waiting for 0.0387 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 6 17 7 16 #OVERLAPing NOT all corrected 2 6 17 #OVERLAP evdw after 1.00000E+20 Waiting for 0.0394 sec Waiting for 0.0381 sec Waiting for 0.0394 sec Waiting for 0.0396 sec Waiting for 0.0392 sec Waiting for 0.0393 sec Waiting for 0.0545 sec Waiting for 0.0479 sec Waiting for 0.0386 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 6 2 23 6 27 7 28 #OVERLAPing NOT all corrected 4 6 27 7 28 #OVERLAP evdw after 1.00000E+20 Waiting for 0.0386 sec Waiting for 0.0279 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 2 22 #OVERLAPing all corrected after 4 random generation #OVERLAP evdw after 3.47508E+08 Waiting for 0.0381 sec Waiting for 0.0389 sec Waiting for 0.0390 sec Waiting for 0.0387 sec Waiting for 0.0397 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 8 23 9 26 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.16890E+10 Waiting for 0.0390 sec Waiting for 0.0493 sec Waiting for 0.0007 sec Waiting for 0.0383 sec Waiting for 0.0389 sec #OVERLAP evdw > 1d10 1.14030E+29 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.14030E+29 Waiting for 0.0714 sec Waiting for 0.0390 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 16 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 9.28518E+11 Waiting for 0.0387 sec Waiting for 0.0397 sec Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.52269E+08 Waiting for 0.0384 sec Waiting for 0.0386 sec Waiting for 0.0394 sec Waiting for 0.0381 sec #OVERLAP evdw > 1d10 9.70642E+23 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 9.70642E+23 Waiting for 0.0395 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.39531E+07 Waiting for 0.0392 sec #OVERLAP evdw > 1d10 4.07292E+30 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.07292E+30 Waiting for 0.0394 sec Waiting for 0.0389 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 2 18 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.31589E+05 Waiting for 1.2893 sec Waiting for 0.0006 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 11 27 13 29 #OVERLAPing all corrected after 5 random generation #OVERLAP evdw after 1.02981E+17 Waiting for 0.0386 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 5 25 9 26 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 4.79927E+12 Waiting for 0.0397 sec Waiting for 0.0394 sec Waiting for 0.0391 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 9.87241E+13 Waiting for 0.0381 sec Waiting for 0.0396 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 25 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 1.16518E+10 Waiting for 0.0595 sec Waiting for 0.7160 sec Waiting for 0.0007 sec Waiting for 0.0603 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 2 9 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after -1.32343E+01 Waiting for 0.0387 sec Waiting for 1.5063 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.25225E+08 Waiting for 0.0004 sec Waiting for 0.0390 sec Waiting for 0.0384 sec Waiting for 0.0392 sec Waiting for 0.0113 sec Waiting for 1.5696 sec Waiting for 0.0006 sec Waiting for 0.0394 sec Waiting for 0.0391 sec Waiting for 0.0395 sec Waiting for 0.0392 sec Waiting for 0.0396 sec Waiting for 0.0128 sec Waiting for 0.0391 sec Waiting for 0.0386 sec Waiting for 0.0395 sec Waiting for 0.0390 sec Waiting for 0.0395 sec Waiting for 0.0390 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 21 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.31789E+08 Waiting for 0.0403 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 2 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.33571E+08 Waiting for 1.2305 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 4 26 8 24 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.43067E+08 Waiting for 0.0386 sec Waiting for 0.0388 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 6 27 7 28 #OVERLAPing NOT all corrected 4 6 27 7 28 #OVERLAP evdw after 1.00000E+20 Waiting for 0.0393 sec Waiting for 0.0380 sec Waiting for 0.0380 sec Waiting for 0.0395 sec Waiting for 0.0386 sec Waiting for 0.0386 sec Waiting for 0.0452 sec Waiting for 0.0685 sec Waiting for 0.0503 sec Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 17 23 #OVERLAPing all corrected after 54 random generation #OVERLAP evdw after 1.45877E+06 Waiting for 0.0388 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 19 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.09820E+18 Waiting for 0.0389 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 16 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.59992E+09 Waiting for 0.0397 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 14 25 16 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.19277E+05 Waiting for 0.0390 sec Waiting for 0.3562 sec Waiting for 0.0007 sec Waiting for 0.0392 sec Waiting for 0.0389 sec Waiting for 0.0386 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 14 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.24163E+17 Waiting for 0.0380 sec Waiting for 0.0397 sec Waiting for 0.0398 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 7 12 22 25 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 3.58540E+10 Waiting for 0.0094 sec Waiting for 0.0386 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 6 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.76664E+17 Waiting for 0.0399 sec Waiting for 0.0386 sec Waiting for 0.0379 sec Waiting for 0.0388 sec Waiting for 0.0390 sec Waiting for 0.7390 sec Waiting for 0.0877 sec Waiting for 0.0389 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 18 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.40283E+14 Waiting for 0.0391 sec Waiting for 0.0380 sec Waiting for 0.0384 sec Waiting for 0.0391 sec Waiting for 0.0468 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 4 24 5 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.76005E+06 Waiting for 0.0383 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 10 29 #OVERLAPing NOT all corrected 2 10 29 #OVERLAP evdw after 1.00000E+20 Waiting for 0.0394 sec Waiting for 0.0372 sec Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 4 26 12 23 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 3.09603E+09 Waiting for 0.0396 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 7 22 13 24 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.77946E+11 Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 3 2 25 17 #OVERLAPing all corrected after 18 random generation #OVERLAP evdw after 2.45819E+25 Waiting for 0.0624 sec Waiting for 0.0391 sec Waiting for 0.0379 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 22 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.34301E+03 Waiting for 0.0387 sec Waiting for 0.0007 sec Waiting for 0.0396 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 13 19 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.20112E+03 Waiting for 0.0396 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 24 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 9.07875E+13 Waiting for 0.0386 sec Waiting for 0.0377 sec Waiting for 0.0694 sec Waiting for 0.0523 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 26 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 1.48811E+09 Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 21 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.03896E+05 Waiting for 0.0390 sec Waiting for 0.0379 sec Waiting for 0.0396 sec Waiting for 0.0386 sec Waiting for 0.0392 sec Waiting for 0.0386 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 14 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.88986E+04 Waiting for 0.0387 sec Waiting for 0.0754 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 22 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.43051E+17 Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 5 4 25 9 27 29 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 2.84174E+19 Waiting for 0.0386 sec #OVERLAP evdw > 1d10 5.10412E+29 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.10412E+29 Waiting for 0.0649 sec Waiting for 0.0615 sec Waiting for 0.0528 sec Waiting for 0.0396 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.82002E+10 Waiting for 0.0396 sec Waiting for 0.0868 sec Waiting for 0.0008 sec Waiting for 0.0006 sec Waiting for 1.9911 sec End of minim, proc 29 time 3397.834604000000 Processor 29 is finishing work. Total time 3435.701978000000 sec