-------------------------------------------------------------------------------- FILE ASSIGNMENT -------------------------------------------------------------------------------- Input file : 1fsd_CASP5.inp Output file : 1fsd_CASP5.out_GB003 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= 3 iseed(4)= 0 0 -2 -48387 ran_num 0.6641613245010376 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 1.3281 sec Waiting for 0.0007 sec Waiting for 0.0397 sec Waiting for 1.2134 sec Waiting for 0.0395 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 17 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 8.38150E+12 Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 27 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 2.29708E+27 Waiting for 0.0592 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 3 4 14 5 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.32402E+11 Waiting for 0.0392 sec Waiting for 0.0702 sec Waiting for 0.0398 sec Waiting for 0.0360 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 3 9 20 21 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.31923E+11 Waiting for 0.0386 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 7 25 17 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.06861E+07 Waiting for 0.0389 sec Waiting for 0.0395 sec Waiting for 0.0378 sec Waiting for 0.0395 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 13 22 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.88033E+06 Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 28 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.47489E+15 Waiting for 0.0467 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 5 7 27 8 17 23 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 7.09634E+07 Waiting for 0.0467 sec Waiting for 0.0380 sec Waiting for 0.0385 sec Waiting for 0.0391 sec Waiting for 0.0391 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.56342E+13 Waiting for 0.0392 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 9 20 10 22 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 2.13456E+14 Waiting for 0.0389 sec Waiting for 1.7616 sec Waiting for 0.0386 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 2 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.22462E+04 Waiting for 0.0390 sec Waiting for 0.0380 sec Waiting for 0.0383 sec Waiting for 0.0390 sec Waiting for 0.0387 sec Waiting for 0.0397 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 11 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 2.95238E+05 Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 6 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after -4.07421E+01 Waiting for 0.0389 sec Waiting for 1.3596 sec Waiting for 0.0397 sec Waiting for 0.0382 sec Waiting for 0.0393 sec Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 9 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after -5.26461E+01 Waiting for 0.0380 sec Waiting for 0.0391 sec Waiting for 0.0397 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 22 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.23640E+22 Waiting for 0.0007 sec Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.19186E+25 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.19186E+25 Waiting for 0.0387 sec Waiting for 0.0388 sec Waiting for 0.0389 sec Waiting for 0.0394 sec Waiting for 0.0382 sec Waiting for 0.0396 sec Waiting for 0.0384 sec Waiting for 0.0412 sec Waiting for 0.0005 sec Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 24 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.20100E+16 Waiting for 0.0392 sec Waiting for 0.0386 sec Waiting for 0.0425 sec Waiting for 0.0391 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 2 29 3 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.49968E+07 Waiting for 0.0388 sec Waiting for 0.0006 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 4 24 5 22 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 3.47882E+11 Waiting for 0.0387 sec Waiting for 0.0398 sec Waiting for 0.0379 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 5 26 17 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.43394E+08 Waiting for 0.0382 sec Waiting for 0.0384 sec Waiting for 0.0397 sec Waiting for 0.0389 sec Waiting for 0.0384 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 -1.97500E+01 Waiting for 0.0391 sec Waiting for 0.0392 sec Waiting for 0.0386 sec Waiting for 0.0386 sec Waiting for 0.0396 sec Waiting for 0.0395 sec Waiting for 0.0390 sec Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 9.35428E+21 Waiting for 0.0393 sec Waiting for 0.0392 sec Waiting for 1.4495 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.79718E+06 Waiting for 0.0005 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 2 20 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.07625E+24 Waiting for 0.0378 sec Waiting for 0.0397 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.33862E+02 Waiting for 0.0387 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 21 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.38443E+04 Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 9 26 20 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.28504E+28 Waiting for 0.0395 sec Waiting for 0.0380 sec Waiting for 0.0385 sec Waiting for 0.0394 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 12 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.63103E+04 Waiting for 0.0382 sec #OVERLAP evdw > 1d10 2.02683E+22 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.02683E+22 Waiting for 0.0377 sec Waiting for 0.0396 sec Waiting for 0.0386 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.02907E+04 Waiting for 0.0394 sec Waiting for 0.0536 sec Waiting for 0.0386 sec Waiting for 0.0385 sec Waiting for 0.0388 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 2 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.49770E+17 Waiting for 0.0386 sec Waiting for 0.0385 sec Waiting for 0.0387 sec Waiting for 0.0142 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.50153E+06 Waiting for 0.0396 sec Waiting for 0.0384 sec Waiting for 0.0391 sec Waiting for 0.0386 sec Waiting for 0.0382 sec Waiting for 0.0388 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 15 19 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.46592E+12 Waiting for 0.0390 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 12 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.30873E+02 Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 22 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.03601E+14 Waiting for 0.0394 sec Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.06071E+10 Waiting for 0.0397 sec Waiting for 0.0397 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 5 7 23 9 26 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.79528E+06 Waiting for 0.0440 sec Waiting for 0.0379 sec Waiting for 0.0386 sec Waiting for 0.0397 sec Waiting for 0.0145 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 22 25 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.07273E+06 Waiting for 0.0390 sec Waiting for 0.0383 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after -4.37721E+01 Waiting for 1.4598 sec Waiting for 0.0006 sec Waiting for 0.0390 sec Waiting for 0.0394 sec Waiting for 0.0383 sec Waiting for 0.0248 sec Waiting for 0.7964 sec Waiting for 0.0508 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 7 20 11 28 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 5.37883E+16 Waiting for 0.0004 sec Waiting for 0.0524 sec Waiting for 0.0398 sec Waiting for 0.0389 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 19 27 #OVERLAPing NOT all corrected 3 19 27 20 #OVERLAP evdw after 1.00000E+20 Waiting for 0.0387 sec Waiting for 0.0006 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 11 27 14 23 #OVERLAPing all corrected after 4 random generation #OVERLAP evdw after 1.88185E+10 Waiting for 0.0541 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 25 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 1.49535E+20 Waiting for 0.0390 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 15 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.12592E+13 Waiting for 0.0381 sec Waiting for 0.0396 sec Waiting for 0.0387 sec Waiting for 0.0388 sec Waiting for 0.0394 sec Waiting for 0.0383 sec Waiting for 0.0169 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 28 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.68686E+11 Waiting for 0.0393 sec Waiting for 1.3819 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 13 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.23096E+05 Waiting for 0.0074 sec Waiting for 0.0394 sec Waiting for 0.0394 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 23 #OVERLAPing all corrected after 6 random generation #OVERLAP evdw after 2.82885E+15 Waiting for 0.0388 sec Waiting for 0.0387 sec Waiting for 0.0007 sec Waiting for 0.0383 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.70155E+10 Waiting for 0.0380 sec Waiting for 0.0399 sec Waiting for 0.0384 sec Waiting for 0.0386 sec Waiting for 0.0391 sec Waiting for 0.0389 sec Waiting for 0.0007 sec Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.25599E+08 Waiting for 0.0385 sec Waiting for 0.0398 sec Waiting for 0.0392 sec Waiting for 0.7687 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 9 12 14 24 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.23380E+08 Waiting for 0.0005 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 18 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 1.02956E+12 Waiting for 0.0391 sec Waiting for 0.0387 sec Waiting for 0.0004 sec Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 2 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.30688E+11 Waiting for 0.0397 sec Waiting for 0.0382 sec Waiting for 0.0381 sec Waiting for 0.0007 sec Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 5 8 26 9 27 10 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 2.25372E+08 Waiting for 0.0384 sec Waiting for 0.0004 sec Waiting for 0.0394 sec Waiting for 0.0380 sec 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 8.29825E+05 Waiting for 0.0391 sec Waiting for 0.0388 sec Waiting for 0.0398 sec Waiting for 0.0381 sec Waiting for 0.0007 sec Waiting for 0.0390 sec Waiting for 0.0394 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 11 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.48949E+14 Waiting for 0.0391 sec Waiting for 0.0383 sec Waiting for 0.0385 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 3 4 25 5 #OVERLAPing all corrected after 5 random generation #OVERLAP evdw after 3.17593E+08 Waiting for 0.0386 sec Waiting for 0.0392 sec Waiting for 0.0388 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 21 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.38276E+05 Waiting for 0.0712 sec Waiting for 0.2641 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 1.52020E+04 Waiting for 0.0387 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 13 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.03217E+08 Waiting for 0.0388 sec #OVERLAP evdw > 1d10 5.05315E+22 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.05315E+22 Waiting for 0.0385 sec Waiting for 0.0383 sec Waiting for 1.6459 sec Waiting for 0.0006 sec Waiting for 0.0383 sec Waiting for 0.0380 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.29425E+03 Waiting for 0.0385 sec Waiting for 0.0392 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 7 7 23 11 25 12 13 26 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.25614E+11 Waiting for 0.0380 sec Waiting for 0.0379 sec Waiting for 0.0393 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 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 3 7 25 27 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 4.83634E+17 Waiting for 0.0393 sec Waiting for 0.0393 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 6 7 27 8 23 9 25 #OVERLAPing all corrected after 26 random generation #OVERLAP evdw after 2.32195E+07 Waiting for 0.0391 sec Waiting for 0.0382 sec Waiting for 0.0394 sec Waiting for 0.0394 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 13 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.15196E+09 Waiting for 0.0381 sec Waiting for 0.0379 sec Waiting for 0.0006 sec Waiting for 0.0387 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 2 23 11 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.68832E+23 Waiting for 0.0386 sec #OVERLAP evdw > 1d10 1.18038E+30 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.18038E+30 Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 13 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.20489E+11 Waiting for 0.0395 sec Waiting for 0.0386 sec Waiting for 0.0382 sec Waiting for 0.0398 sec Waiting for 0.0007 sec Waiting for 0.0390 sec Waiting for 0.0382 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 10 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after -2.54207E+01 Waiting for 0.0379 sec Waiting for 0.0383 sec Waiting for 0.0398 sec Waiting for 0.0393 sec Waiting for 0.0386 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.41453E+20 Waiting for 0.0006 sec Waiting for 0.0395 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 2 20 14 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 9.39121E+11 Waiting for 0.0386 sec Waiting for 0.0387 sec Waiting for 0.9558 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 9 22 10 17 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 3.32280E+05 Waiting for 0.0274 sec Waiting for 0.0380 sec Waiting for 0.0380 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 4 21 20 27 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 2.73502E+13 Waiting for 0.0389 sec Waiting for 1.0137 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 3 27 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.31310E+10 Waiting for 0.0007 sec Waiting for 0.0395 sec Waiting for 0.0394 sec Waiting for 0.0382 sec Waiting for 0.0377 sec Waiting for 0.0393 sec #OVERLAP evdw > 1d10 7.29561E+20 #OVERLAPing residues 0 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.29561E+20 Waiting for 0.0390 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.10259E+04 Waiting for 0.0007 sec Waiting for 0.0392 sec Waiting for 0.0391 sec Waiting for 0.8505 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 3.26250E+18 Waiting for 0.0025 sec Waiting for 0.0390 sec Waiting for 0.0389 sec Waiting for 0.0387 sec Waiting for 0.0006 sec Waiting for 0.0395 sec Waiting for 0.0394 sec Waiting for 0.0390 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 6 8 20 9 11 22 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.65874E+06 Waiting for 0.0379 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 2.25696E+04 Waiting for 0.0400 sec Waiting for 0.0390 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 5 22 9 23 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.00783E+09 Waiting for 0.0394 sec Waiting for 0.0386 sec Waiting for 0.0392 sec Waiting for 0.0382 sec Waiting for 0.0671 sec Waiting for 0.0760 sec Waiting for 0.0386 sec Waiting for 0.0389 sec Waiting for 0.0766 sec Waiting for 0.0396 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 9 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.05556E+06 Waiting for 0.0390 sec Waiting for 0.0398 sec Waiting for 0.0393 sec Waiting for 0.0399 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 25 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 3.31178E+05 Waiting for 0.0389 sec Waiting for 0.0387 sec Waiting for 0.0392 sec Waiting for 0.0380 sec Waiting for 0.0007 sec Waiting for 0.3824 sec Waiting for 0.0006 sec Waiting for 0.0385 sec Waiting for 0.0383 sec Waiting for 0.0523 sec Waiting for 1.6858 sec Waiting for 0.0006 sec Waiting for 0.0398 sec Waiting for 0.0388 sec Waiting for 0.0393 sec Waiting for 0.0378 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 20 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 6.10819E+09 Waiting for 0.0378 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 23 #OVERLAPing all corrected after 8 random generation #OVERLAP evdw after 4.29107E+12 Waiting for 0.0379 sec Waiting for 0.0384 sec Waiting for 0.0595 sec Waiting for 0.0386 sec Waiting for 0.0007 sec Waiting for 0.0392 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 4 28 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 8.11330E+05 Waiting for 0.0379 sec Waiting for 0.0390 sec Waiting for 0.2759 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 22 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 3.08463E+11 Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 8 5 19 7 14 9 13 24 27 #OVERLAPing all corrected after 2 random generation #OVERLAP evdw after 4.45301E+07 Waiting for 0.0386 sec Waiting for 0.0397 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 20 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.18645E+02 Waiting for 0.0007 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 8 17 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.51561E+09 Waiting for 0.0383 sec Waiting for 0.0378 sec Waiting for 0.0379 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 3 8 27 9 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.52220E+06 Waiting for 0.0394 sec Waiting for 0.0398 sec Waiting for 0.0391 sec Waiting for 0.0390 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 4 23 6 25 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 3.08261E+22 Waiting for 0.0008 sec Waiting for 0.0384 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 4 11 23 13 24 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 5.60100E+10 Waiting for 0.0387 sec Waiting for 0.0386 sec Waiting for 0.0394 sec Waiting for 0.0715 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 3 9 23 25 #OVERLAPing all corrected after 4 random generation #OVERLAP evdw after 1.11609E+11 Waiting for 1.1194 sec Waiting for 0.0116 sec Waiting for 0.0398 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 3 4 29 5 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 4.03875E+02 Waiting for 0.0006 sec Waiting for 0.0389 sec Waiting for 0.0398 sec Waiting for 0.0387 sec Waiting for 0.0379 sec Waiting for 0.0381 sec Waiting for 0.0389 sec Waiting for 0.0381 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 19 27 #OVERLAPing all corrected after 4 random generation #OVERLAP evdw after 8.68672E+07 Waiting for 0.0006 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 13 25 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 1.61688E+09 Waiting for 0.0391 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 11 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 9.82393E+02 Waiting for 0.0392 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 2 29 #OVERLAPing all corrected after 1 random generation #OVERLAP evdw after 7.90408E+02 Waiting for 0.0381 sec #OVERLAP evdw > 1d10 1.00000E+20 #OVERLAPing residues 2 7 15 #OVERLAPing all corrected after 3 random generation #OVERLAP evdw after 8.03391E+02 Waiting for 0.0389 sec Waiting for 2.9097 sec Waiting for 0.0004 sec Waiting for 0.0647 sec Waiting for 0.0383 sec Waiting for 0.0395 sec Waiting for 0.1418 sec Waiting for 0.0005 sec Waiting for 0.0391 sec Waiting for 0.0382 sec Waiting for 0.0384 sec Waiting for 0.0377 sec End of minim, proc 3 time 3404.559827000000 Processor 3 is finishing work. Total time 3435.740501999999 sec