-------------------------------------------------------------------------------- FILE ASSIGNMENT -------------------------------------------------------------------------------- Input file : 1fsd_CASP5.inp Output file : 1fsd_CASP5.out_GB028 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= 28 iseed(4)= 0 0 -19 -55900 ran_num 0.5650625824928284 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 1.3268 sec Waiting for 0.0007 sec Waiting for 0.0386 sec Waiting for 1.2171 sec Waiting for 0.0641 sec Waiting for 0.0386 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 26 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.98387E+25 Waiting for 0.0380 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 3 8 27 9 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 9.56229E+05 Waiting for 0.0645 sec Waiting for 0.0704 sec Waiting for 0.0735 sec Waiting for 0.0358 sec Waiting for 0.0389 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 14 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.07283E+08 Waiting for 0.0398 sec Waiting for 0.0590 sec Waiting for 0.0385 sec Waiting for 0.0396 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 5 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.21054E+04 Waiting for 0.0393 sec Waiting for 0.0389 sec Waiting for 0.0566 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 2 13 4 11 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 1.58069E+17 Waiting for 0.0384 sec Waiting for 0.0389 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after -2.24777E+01 Waiting for 0.0387 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 5 23 20 25 #OVERLAPing NOT all corrected 2 5 23 #OVERLAP evdw after 1.00000E+20 Waiting for 0.0398 sec Waiting for 0.0381 sec Waiting for 0.0396 sec Waiting for 0.0883 sec Waiting for 0.0397 sec Waiting for 0.0007 sec Waiting for 0.0394 sec Waiting for 0.0786 sec Waiting for 0.0005 sec Waiting for 0.7319 sec Waiting for 0.0004 sec Waiting for 0.0394 sec Waiting for 0.0385 sec Waiting for 0.0067 sec Waiting for 0.0389 sec Waiting for 0.0397 sec Waiting for 0.0381 sec Waiting for 0.0395 sec Waiting for 0.0481 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 27 #OVERLAPing all corrected after 41 random generation #OVERLAP evdw after 5.53454E+10 Waiting for 0.0393 sec Waiting for 0.0759 sec Waiting for 0.0386 sec Waiting for 0.0379 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 7 26 9 22 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.71635E+20 Waiting for 0.0108 sec Waiting for 0.0391 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 19 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.70920E+14 Waiting for 0.0387 sec Waiting for 0.0382 sec Waiting for 1.3580 sec Waiting for 0.0043 sec Waiting for 0.0385 sec Waiting for 0.0479 sec Waiting for 0.0006 sec Waiting for 0.0394 sec Waiting for 0.0396 sec Waiting for 0.0397 sec Waiting for 0.0383 sec Waiting for 0.0636 sec Waiting for 0.0499 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 3 20 7 25 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.71986E+11 Waiting for 0.0383 sec Waiting for 0.0383 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 15 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.48839E+15 Waiting for 0.0383 sec Waiting for 0.0764 sec Waiting for 0.0394 sec Waiting for 0.0385 sec Waiting for 0.0385 sec Waiting for 0.0398 sec Waiting for 1.4710 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.96317E+10 Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 5 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.65468E+29 Waiting for 0.0378 sec Waiting for 0.0383 sec Waiting for 0.0381 sec Waiting for 0.0386 sec Waiting for 0.0536 sec Waiting for 0.0399 sec Waiting for 0.0388 sec Waiting for 0.0387 sec Waiting for 0.0389 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.30013E+01 Waiting for 0.0384 sec Waiting for 0.0476 sec Waiting for 0.0395 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 21 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.82774E+03 Waiting for 0.0399 sec Waiting for 0.0578 sec Waiting for 0.0127 sec Waiting for 1.4105 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 14 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.99624E+20 Waiting for 0.0007 sec Waiting for 0.0395 sec Waiting for 0.0395 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 16 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.64755E+08 Waiting for 0.0677 sec Waiting for 1.4891 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 6 16 8 17 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 5.90257E+17 Waiting for 0.0400 sec Waiting for 0.0392 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.11514E+06 Waiting for 0.0378 sec Waiting for 0.0403 sec Waiting for 0.0380 sec Waiting for 0.0384 sec Waiting for 0.0380 sec Waiting for 0.0386 sec Waiting for 0.0389 sec Waiting for 0.0008 sec Waiting for 0.0380 sec Waiting for 0.0431 sec Waiting for 0.0400 sec Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.02407E+08 Waiting for 1.0368 sec Waiting for 0.0154 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.32888E+07 Waiting for 0.0396 sec Waiting for 0.0276 sec Waiting for 0.0386 sec Waiting for 0.0392 sec Waiting for 0.9276 sec Waiting for 0.0004 sec Waiting for 0.0731 sec Waiting for 0.0383 sec Waiting for 0.0381 sec Waiting for 0.0382 sec Waiting for 0.0388 sec Waiting for 0.0381 sec Waiting for 0.0451 sec Waiting for 0.0398 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 11 25 12 27 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 5.54555E+02 Waiting for 0.0571 sec Waiting for 0.2902 sec Waiting for 0.0066 sec Waiting for 0.0386 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.07607E+10 Waiting for 0.0006 sec Waiting for 0.0386 sec Waiting for 0.0380 sec Waiting for 0.0392 sec Waiting for 0.0379 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.01209E+13 Waiting for 0.0392 sec Waiting for 0.0397 sec Waiting for 0.0396 sec Waiting for 0.0006 sec Waiting for 0.0395 sec Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 11 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.59632E+09 Waiting for 0.0399 sec Waiting for 0.0383 sec Waiting for 0.0384 sec Waiting for 0.0391 sec #OVERLAP evdw > 1d10 2.06552E+25 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.06552E+25 Waiting for 0.0399 sec Waiting for 0.0381 sec Waiting for 0.0431 sec Waiting for 0.0381 sec Waiting for 0.0381 sec Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 27 #OVERLAPing all corrected after 4 random generation #OVERLAP evdw after 1.22446E+20 Waiting for 0.0394 sec Waiting for 0.0380 sec Waiting for 0.0389 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after -4.73802E+01 Waiting for 1.6725 sec Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 23 #OVERLAPing all corrected after 30 random generation #OVERLAP evdw after 1.79915E+18 Waiting for 0.0386 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 7 21 15 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.17450E+15 Waiting for 0.0388 sec Waiting for 1.8809 sec Waiting for 0.0007 sec Waiting for 0.0391 sec Waiting for 0.0394 sec Waiting for 0.0395 sec Waiting for 0.0006 sec Waiting for 0.0398 sec Waiting for 0.0636 sec Waiting for 0.0006 sec Waiting for 0.0393 sec Waiting for 0.0387 sec Waiting for 0.0379 sec Waiting for 0.0385 sec Waiting for 0.0398 sec Waiting for 0.0383 sec Waiting for 0.0403 sec Waiting for 0.0385 sec Waiting for 0.0387 sec Waiting for 0.0383 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 5 7 21 8 22 9 #OVERLAPing all corrected after 8 random generation #OVERLAP evdw after 1.81186E+10 Waiting for 0.0386 sec Waiting for 0.0389 sec Waiting for 0.0393 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 7 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after -5.31660E+01 Waiting for 0.0384 sec Waiting for 0.0395 sec Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.88782E+08 Waiting for 0.0386 sec Waiting for 0.0379 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 17 27 #OVERLAPing all corrected after 4 random generation #OVERLAP evdw after 2.85049E+15 Waiting for 0.8765 sec Waiting for 0.0005 sec Waiting for 0.0006 sec Waiting for 0.0382 sec Waiting for 0.0383 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.50753E+12 Waiting for 0.0380 sec Waiting for 0.0480 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 17 23 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 3.44711E+12 Waiting for 0.0388 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 3 11 4 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.08871E+11 Waiting for 0.0395 sec Waiting for 0.0388 sec Waiting for 0.0379 sec Waiting for 0.0393 sec Waiting for 0.0393 sec Waiting for 0.0391 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 13 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.08376E+20 Waiting for 0.0380 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 5 23 #OVERLAPing all corrected after 38 random generation #OVERLAP evdw after 2.32427E+22 Waiting for 0.0394 sec Waiting for 0.0395 sec #OVERLAP evdw > 1d10 8.52984E+20 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.52984E+20 Waiting for 0.0392 sec Waiting for 0.0398 sec Waiting for 0.0007 sec Waiting for 1.0344 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.21160E+10 Waiting for 0.0006 sec Waiting for 0.0392 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 23 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 5.72122E+05 Waiting for 0.0395 sec Waiting for 0.0382 sec Waiting for 0.1111 sec Waiting for 0.0006 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 5 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.11334E+09 Waiting for 0.0399 sec Waiting for 0.0589 sec Waiting for 0.0379 sec Waiting for 0.0394 sec Waiting for 0.0388 sec #OVERLAP evdw > 1d10 3.70132E+65 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.70132E+65 Waiting for 0.0382 sec Waiting for 0.0449 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.50922E+04 Waiting for 0.0396 sec Waiting for 0.0398 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 13 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.89849E+10 Waiting for 0.0380 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 13 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.27540E+09 Waiting for 0.0433 sec Waiting for 0.0379 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 20 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after -2.89534E-01 Waiting for 0.0380 sec Waiting for 0.0395 sec Waiting for 1.4774 sec Waiting for 0.0381 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 27 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 7.40886E+03 Waiting for 0.0008 sec Waiting for 0.0381 sec Waiting for 0.0382 sec Waiting for 0.0381 sec Waiting for 0.0395 sec Waiting for 0.0382 sec Waiting for 0.0393 sec Waiting for 0.0384 sec Waiting for 0.0006 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 9 24 13 20 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 4.96101E+05 Waiting for 0.0383 sec Waiting for 0.0531 sec #OVERLAP evdw > 1d10 6.15760E+26 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.15760E+26 Waiting for 0.0438 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 4 16 9 27 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.07070E+13 Waiting for 0.0396 sec Waiting for 0.0396 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 25 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 2.08781E+06 Waiting for 0.0395 sec Waiting for 0.0393 sec Waiting for 0.0394 sec Waiting for 0.0007 sec Waiting for 0.0394 sec Waiting for 0.0383 sec Waiting for 0.0392 sec Waiting for 0.0496 sec Waiting for 0.0393 sec Waiting for 0.0393 sec Waiting for 0.0386 sec Waiting for 0.0008 sec Waiting for 0.0384 sec Waiting for 0.0396 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 5 27 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 6.03426E+07 Waiting for 0.0392 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 23 #OVERLAPing all corrected after 5 random generation #OVERLAP evdw after 7.09428E+07 Waiting for 0.0397 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.89714E+02 Waiting for 0.0384 sec Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 10 22 11 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.90176E+13 Waiting for 0.0377 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 2 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after -2.33537E+01 Waiting for 0.0388 sec Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 7 4 13 7 15 18 12 20 #OVERLAPing all corrected after 5 random generation #OVERLAP evdw after 1.03059E+11 Waiting for 0.0380 sec Waiting for 0.0383 sec Waiting for 0.0397 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.42781E+16 Waiting for 0.0386 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.67766E+19 Waiting for 0.0395 sec Waiting for 0.0399 sec Waiting for 0.0383 sec Waiting for 0.0380 sec Waiting for 0.3915 sec Waiting for 0.0005 sec Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 22 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after -3.19336E+01 Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 26 #OVERLAPing all corrected after 5 random generation #OVERLAP evdw after 1.29466E+22 Waiting for 0.0388 sec Waiting for 0.0399 sec Waiting for 0.0007 sec Waiting for 0.0381 sec Waiting for 0.0391 sec Waiting for 0.0735 sec Waiting for 0.0750 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 13 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 2.09764E+05 Waiting for 0.0381 sec Waiting for 0.0394 sec Waiting for 0.0389 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.99129E+15 Waiting for 0.0007 sec Waiting for 0.0800 sec Waiting for 0.0250 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 9 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after -3.17837E+01 Waiting for 0.0395 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 25 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 4.68885E+29 Waiting for 0.0383 sec Waiting for 0.0384 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 0.0383 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 17 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 4.45073E+06 Waiting for 0.0379 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.05962E+02 Waiting for 0.0403 sec Waiting for 1.6389 sec Waiting for 0.0004 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 9.09514E+17 Waiting for 0.0396 sec Waiting for 0.0391 sec Waiting for 0.0390 sec Waiting for 0.0381 sec Waiting for 0.0384 sec Waiting for 0.0385 sec Waiting for 0.0395 sec Waiting for 0.0395 sec Waiting for 0.0380 sec Waiting for 0.0386 sec Waiting for 0.0387 sec Waiting for 0.0663 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 22 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.49185E+11 Waiting for 0.0007 sec Waiting for 0.0385 sec #OVERLAP evdw > 1d10 2.76276E+24 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.76276E+24 Waiting for 0.0386 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after -4.43996E+01 Waiting for 0.0388 sec Waiting for 0.0389 sec Waiting for 0.0390 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 6 29 25 27 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.85389E+04 Waiting for 0.0621 sec Waiting for 0.0397 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 22 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.99148E+15 Waiting for 0.0393 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 0.0396 sec Waiting for 0.0446 sec Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 5 8 27 9 12 25 #OVERLAPing all corrected after 97 random generation #OVERLAP evdw after 9.39666E+11 Waiting for 0.0381 sec Waiting for 0.0392 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 21 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.42487E+08 Waiting for 0.0383 sec Waiting for 0.0389 sec Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.51894E+03 Waiting for 0.0181 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 22 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.67265E+06 Waiting for 0.0380 sec Waiting for 0.0397 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.02647E+17 Waiting for 0.0386 sec Waiting for 1.4990 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 26 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 3.68993E+10 Waiting for 0.0379 sec Waiting for 0.0395 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 5 8 19 9 22 24 #OVERLAPing all corrected after 26 random generation #OVERLAP evdw after 1.12854E+17 Waiting for 0.8421 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 24 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.77406E+01 Waiting for 0.0005 sec Waiting for 0.0388 sec Waiting for 0.0381 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.19224E+12 Waiting for 0.0388 sec Waiting for 0.0383 sec Waiting for 0.0397 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 17 22 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.99653E+03 Waiting for 0.0378 sec Waiting for 0.0713 sec Waiting for 2.2914 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.13254E+02 Waiting for 0.0007 sec Waiting for 0.0385 sec Waiting for 0.0395 sec Waiting for 2.3566 sec Waiting for 0.0121 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 25 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 1.71582E+16 Waiting for 0.0378 sec Waiting for 0.0396 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 3 25 5 20 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 3.39916E+06 Waiting for 0.0390 sec Waiting for 0.0388 sec Waiting for 0.0396 sec Waiting for 0.0387 sec Waiting for 0.0386 sec Waiting for 0.0389 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 8 2 17 3 18 4 19 7 23 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 1.46039E+17 Waiting for 0.0393 sec Waiting for 0.0398 sec Waiting for 0.0130 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 23 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.90681E+12 Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 22 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.34653E+15 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 1.44440E+08 Waiting for 0.0388 sec Waiting for 0.0388 sec Waiting for 0.0394 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.09953E+09 Waiting for 0.0396 sec Waiting for 0.0396 sec #OVERLAP evdw > 1d10 5.80778E+29 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.80778E+29 Waiting for 0.0007 sec Waiting for 0.0385 sec End of minim, proc 28 time 3408.261064000000 Processor 28 is finishing work. Total time 3435.708838000000 sec