-------------------------------------------------------------------------------- FILE ASSIGNMENT -------------------------------------------------------------------------------- Input file : 1fsd_CASP5.inp Output file : 1fsd_CASP5.out_GB030 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= 30 iseed(4)= 0 0 -21 -14558 ran_num 0.3971347212791443 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 1.3269 sec Waiting for 0.0093 sec Waiting for 0.0393 sec Waiting for 1.2171 sec Waiting for 0.0390 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.55505E+11 Waiting for 0.0380 sec Waiting for 0.0392 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 20 27 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.44136E+03 Waiting for 0.0725 sec Waiting for 0.0385 sec Waiting for 0.0396 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 24 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.29691E+13 Waiting for 0.0103 sec Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 12 23 #OVERLAPing all corrected after 8 random generation #OVERLAP evdw after 2.25279E+17 Waiting for 0.0487 sec Waiting for 0.0006 sec Waiting for 0.0391 sec Waiting for 0.0905 sec Waiting for 0.0006 sec Waiting for 0.0396 sec Waiting for 0.0392 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 9 23 17 25 #OVERLAPing all corrected after 6 random generation #OVERLAP evdw after 1.07824E+16 Waiting for 0.0381 sec Waiting for 0.0379 sec Waiting for 0.0380 sec Waiting for 1.3937 sec Waiting for 0.0146 sec Waiting for 0.0381 sec Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 15 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.41059E+09 Waiting for 0.0006 sec Waiting for 0.0390 sec Waiting for 0.0380 sec Waiting for 0.0392 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 22 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.95765E+06 Waiting for 0.0390 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 10 26 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.30329E+21 Waiting for 0.0380 sec Waiting for 0.0435 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 23 26 #OVERLAPing all corrected after 17 random generation #OVERLAP evdw after 6.34971E+27 Waiting for 0.0390 sec Waiting for 0.0577 sec Waiting for 0.0390 sec Waiting for 0.0506 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.01435E+09 Waiting for 0.0391 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 22 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.11311E+02 Waiting for 0.0387 sec Waiting for 0.0387 sec Waiting for 0.0386 sec Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 16 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.64777E+08 Waiting for 0.0388 sec Waiting for 0.0387 sec Waiting for 0.0386 sec Waiting for 0.3037 sec Waiting for 0.0005 sec Waiting for 0.0595 sec Waiting for 0.0389 sec Waiting for 0.0379 sec Waiting for 0.0395 sec Waiting for 0.0004 sec Waiting for 0.0379 sec Waiting for 0.0392 sec Waiting for 0.0577 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 22 #OVERLAPing all corrected after 14 random generation #OVERLAP evdw after 8.72358E+17 Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.28450E+08 Waiting for 0.0489 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 3.14516E+21 Waiting for 0.0389 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 9 6 20 7 16 25 17 23 18 22 #OVERLAPing all corrected after 676 random generation #OVERLAP evdw after 1.99687E+35 Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.33248E+08 Waiting for 0.0384 sec #OVERLAP evdw > 1d10 9.46120E+25 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 9.46120E+25 Waiting for 0.0377 sec Waiting for 0.0384 sec Waiting for 0.0383 sec Waiting for 0.0396 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.64413E+07 Waiting for 0.0666 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 7 25 11 23 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 5.22653E+22 Waiting for 0.0380 sec #OVERLAP evdw > 1d10 9.94725E+20 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 9.94725E+20 Waiting for 0.0111 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 5 21 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 9.69501E+13 Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.14418E+26 Waiting for 0.0410 sec Waiting for 0.0379 sec Waiting for 0.0405 sec Waiting for 0.0397 sec Waiting for 0.0511 sec Waiting for 0.0390 sec Waiting for 0.0575 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.85859E+25 Waiting for 0.0007 sec Waiting for 0.0388 sec Waiting for 0.0391 sec Waiting for 0.0388 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 12 25 13 19 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.12108E+19 Waiting for 0.0389 sec Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.28859E+04 Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 15 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.91804E+23 Waiting for 0.0600 sec Waiting for 1.6423 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 15 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.47859E+07 Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.53262E+07 Waiting for 0.0585 sec Waiting for 0.0392 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 27 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 3.31454E+03 Waiting for 0.0388 sec Waiting for 0.0389 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 25 #OVERLAPing all corrected after 236 random generation #OVERLAP evdw after 1.35546E+18 Waiting for 0.0384 sec Waiting for 0.0388 sec Waiting for 0.0378 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.94458E+07 Waiting for 0.0007 sec Waiting for 0.0385 sec Waiting for 0.0391 sec Waiting for 0.0662 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 11 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.13070E+15 Waiting for 0.0393 sec Waiting for 0.0394 sec Waiting for 0.0383 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 26 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.32695E+10 Waiting for 0.0392 sec Waiting for 0.0006 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.73551E+03 Waiting for 0.0734 sec Waiting for 0.0703 sec Waiting for 0.0394 sec Waiting for 0.0381 sec Waiting for 0.0396 sec Waiting for 0.0699 sec Waiting for 0.0715 sec Waiting for 0.0007 sec Waiting for 0.0390 sec Waiting for 0.0391 sec Waiting for 0.0388 sec Waiting for 0.0555 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 15 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.49933E+11 Waiting for 0.0659 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 9 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.06785E+04 Waiting for 0.0400 sec Waiting for 0.0389 sec Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.44867E+07 Waiting for 0.0384 sec Waiting for 0.1016 sec Waiting for 0.0009 sec Waiting for 0.0389 sec Waiting for 0.0390 sec Waiting for 0.0381 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.16839E+02 Waiting for 0.0947 sec Waiting for 0.0394 sec Waiting for 0.0007 sec Waiting for 0.0392 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 6 5 22 7 23 9 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.27562E+11 Waiting for 0.0386 sec Waiting for 0.0381 sec Waiting for 0.0395 sec Waiting for 0.0395 sec Waiting for 0.0699 sec Waiting for 0.0388 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 19 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.12886E+11 Waiting for 0.0384 sec Waiting for 0.0380 sec Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 12 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.92002E+09 Waiting for 0.0379 sec Waiting for 0.0383 sec Waiting for 0.0383 sec Waiting for 0.0395 sec Waiting for 0.0386 sec Waiting for 0.0395 sec Waiting for 0.0383 sec Waiting for 0.0804 sec Waiting for 0.4377 sec Waiting for 0.0670 sec Waiting for 0.0007 sec Waiting for 0.0381 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 3 6 25 7 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 4.02130E+09 Waiting for 0.0394 sec Waiting for 0.0379 sec Waiting for 0.0379 sec Waiting for 0.0390 sec Waiting for 0.0380 sec Waiting for 0.8389 sec Waiting for 0.0090 sec Waiting for 0.0390 sec Waiting for 0.0392 sec Waiting for 0.0006 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 22 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.62083E+05 Waiting for 1.2994 sec Waiting for 0.0007 sec Waiting for 0.0383 sec Waiting for 0.0395 sec #OVERLAP evdw > 1d10 7.92087E+22 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.92087E+22 Waiting for 0.0379 sec Waiting for 0.0383 sec Waiting for 0.5610 sec Waiting for 0.0195 sec Waiting for 0.0394 sec Waiting for 0.0392 sec Waiting for 0.0394 sec Waiting for 0.0380 sec Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 26 #OVERLAPing all corrected after 7 random generation #OVERLAP evdw after 9.64394E+12 Waiting for 0.0395 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 25 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.54260E+10 Waiting for 0.0392 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.91873E+06 Waiting for 0.0399 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 20 25 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 3.25674E+15 Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.36950E+02 Waiting for 0.0381 sec Waiting for 0.0386 sec Waiting for 0.0391 sec Waiting for 0.0388 sec Waiting for 0.0385 sec Waiting for 0.0379 sec Waiting for 0.0386 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 9 15 17 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.43310E+17 Waiting for 0.0675 sec Waiting for 0.0388 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 6 4 11 7 25 9 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.78196E+11 Waiting for 0.0386 sec Waiting for 0.0400 sec Waiting for 0.0377 sec Waiting for 0.0387 sec Waiting for 0.0390 sec Waiting for 0.0386 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.61015E+11 Waiting for 0.0551 sec Waiting for 0.6529 sec Waiting for 0.0007 sec Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.73012E+21 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.73012E+21 Waiting for 0.0385 sec Waiting for 0.0383 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 4 26 9 28 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.52307E+09 Waiting for 0.0395 sec Waiting for 0.0381 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.01927E+02 Waiting for 0.0552 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 6 27 7 28 #OVERLAPing NOT all corrected 2 7 28 #OVERLAP evdw after 1.00000E+20 Waiting for 0.0391 sec Waiting for 0.0381 sec Waiting for 0.0395 sec Waiting for 0.0378 sec Waiting for 0.0584 sec Waiting for 0.0396 sec Waiting for 0.0007 sec Waiting for 0.0390 sec Waiting for 0.0390 sec Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 24 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.98080E+09 Waiting for 0.0396 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 4 25 6 27 #OVERLAPing NOT all corrected 3 6 27 7 #OVERLAP evdw after 1.00000E+20 Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 5 23 11 27 #OVERLAPing all corrected after 121 random generation #OVERLAP evdw after 6.89891E+25 Waiting for 0.0382 sec Waiting for 0.0386 sec Waiting for 0.0394 sec Waiting for 0.0181 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 16 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 9.10689E+13 Waiting for 0.0381 sec Waiting for 0.0392 sec Waiting for 0.0394 sec Waiting for 0.0392 sec Waiting for 0.0393 sec Waiting for 0.0493 sec Waiting for 0.0394 sec Waiting for 1.3330 sec Waiting for 0.0007 sec Waiting for 0.0393 sec Waiting for 0.0446 sec Waiting for 0.0388 sec Waiting for 1.0640 sec Waiting for 0.0521 sec Waiting for 0.0007 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 5 27 9 12 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 6.02651E+11 Waiting for 0.0385 sec Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 20 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 2.51921E+11 Waiting for 0.0518 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.71535E+04 Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 25 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.31594E+04 Waiting for 0.0611 sec Waiting for 0.0379 sec Waiting for 0.0396 sec Waiting for 0.0397 sec Waiting for 0.0006 sec Waiting for 0.0651 sec Waiting for 0.0379 sec Waiting for 0.3525 sec Waiting for 0.0006 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 17 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.22585E+03 Waiting for 0.0395 sec Waiting for 0.0395 sec Waiting for 0.0389 sec Waiting for 0.0321 sec Waiting for 1.2809 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 7 27 9 24 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.27605E+13 Waiting for 0.0004 sec Waiting for 0.0383 sec Waiting for 0.0423 sec Waiting for 0.0391 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 17 #OVERLAPing all corrected after 4 random generation #OVERLAP evdw after 2.12495E+05 Waiting for 0.0421 sec Waiting for 0.0395 sec Waiting for 0.0007 sec Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 5 25 #OVERLAPing all corrected after 7 random generation #OVERLAP evdw after 6.46241E+07 Waiting for 0.0752 sec Waiting for 1.5600 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 5 11 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.18851E+14 Waiting for 0.0320 sec Waiting for 0.0378 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 16 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after -1.85941E+01 Waiting for 0.0395 sec Waiting for 0.0471 sec Waiting for 0.0384 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 16 27 17 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.85968E+05 Waiting for 0.0391 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 19 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.32323E+02 Waiting for 0.0387 sec Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 11 27 12 25 #OVERLAPing all corrected after 7 random generation #OVERLAP evdw after 1.20411E+12 Waiting for 0.0396 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.39446E+04 Waiting for 0.0381 sec Waiting for 0.0378 sec Waiting for 0.0009 sec Waiting for 0.0006 sec Waiting for 0.0383 sec Waiting for 0.0381 sec Waiting for 0.0397 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.53139E+03 Waiting for 0.0585 sec Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 7 3 25 7 14 27 9 15 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 2.24005E+17 Waiting for 0.8279 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 9 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 2.92679E+02 Waiting for 0.0111 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 3 6 27 8 #OVERLAPing NOT all corrected 3 6 27 7 #OVERLAP evdw after 1.00000E+20 Waiting for 0.0825 sec Waiting for 0.0007 sec Waiting for 0.5597 sec Waiting for 0.0007 sec Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 23 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 4.37025E+06 Waiting for 0.0540 sec Waiting for 0.0127 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.30484E+08 Waiting for 0.0391 sec Waiting for 0.0387 sec Waiting for 0.0384 sec Waiting for 0.0380 sec Waiting for 0.0720 sec Waiting for 0.0589 sec Waiting for 0.0379 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 17 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 6.19307E+03 Waiting for 0.0752 sec Waiting for 0.0430 sec Waiting for 0.0476 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 2 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.85741E+04 Waiting for 0.0289 sec Waiting for 0.0395 sec Waiting for 0.0634 sec Waiting for 0.8521 sec Waiting for 0.0007 sec Waiting for 0.0389 sec Waiting for 0.0616 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 14 23 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 3.78335E+10 Waiting for 0.0007 sec Waiting for 2.6000 sec Waiting for 0.0004 sec Waiting for 0.0388 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 4 25 6 27 #OVERLAPing NOT all corrected 3 6 27 12 #OVERLAP evdw after 1.00000E+20 Waiting for 0.0382 sec Waiting for 0.0380 sec Waiting for 0.0389 sec Waiting for 0.0387 sec Waiting for 0.0397 sec Waiting for 0.0006 sec Waiting for 0.0383 sec Waiting for 0.0386 sec Waiting for 0.0384 sec Waiting for 0.0642 sec Waiting for 0.0665 sec Waiting for 0.0390 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 5 17 7 16 #OVERLAPing NOT all corrected 2 5 17 #OVERLAP evdw after 1.00000E+20 Waiting for 0.0383 sec Waiting for 1.6140 sec Waiting for 0.0006 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 16 25 20 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.98942E+15 Waiting for 0.0379 sec Waiting for 0.0914 sec Waiting for 0.5205 sec Waiting for 0.0007 sec Waiting for 0.0397 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 21 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.00255E+06 Waiting for 0.0399 sec Waiting for 0.0007 sec Waiting for 0.0396 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 18 27 19 25 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 3.02868E+08 Waiting for 0.1874 sec Waiting for 0.0395 sec Waiting for 0.0385 sec Waiting for 0.0382 sec Waiting for 0.0756 sec Waiting for 0.0772 sec Waiting for 0.9657 sec Waiting for 0.0386 sec Waiting for 0.0658 sec Waiting for 0.0393 sec Waiting for 0.0395 sec Waiting for 0.0386 sec Waiting for 0.0405 sec Waiting for 0.0387 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 9 19 10 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.94285E+10 Waiting for 0.0398 sec Waiting for 0.0207 sec Waiting for 0.0387 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 13 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.24826E+05 Waiting for 0.0379 sec Waiting for 1.6453 sec End of minim, proc 30 time 3397.838321000000 Processor 30 is finishing work. Total time 3435.701748999999 sec