+********************************************************************************
+United-residue force field calculation - parallel job.
+********************************************************************************
+ Start reading THETA_PDB
+ End reading THETA_PDB
+ End reading THETA_PDB
+ End reading THETA_PDB
+ End reading THETA_PDB
+ End reading THETA_PDB
+ End reading THETA_PDB
+ End reading THETA_PDB
+ End reading THETA_PDB
+ End reading THETA_PDB
+ End reading THETA_PDB
+ End reading THETA_PDB
+ End reading THETA_PDB
+ End reading THETA_PDB
+ End reading THETA_PDB
+ End reading THETA_PDB
+ End reading THETA_PDB
+ End reading THETA_PDB
+ End reading THETA_PDB
+ End reading THETA_PDB
+ End reading THETA_PDB
+ MPI: node= 13 iseed= -42836401
+ ran_num 0.832533313419530
+RMSDBC = 3.0
+RMSDBC1 = 0.5
+RMSDBC1MAX = 1.5
+DRMS = 0.1
+RMSDBCM = 3.0
+Time limit (min): 960.0
+ RESCALE_MODE 0
+Library routine used to diagonalize matrices.
+
+********************************************************************************
+ Options in energy minimization:
+********************************************************************************
+MaxMin: 3000 MaxFun: 1000MinMin: 3000 MinFun: 3000 TolF: 1.00000E-02 RTolF: 1.00000E-04
+ NCONF_IN 0
+
+Energy-term weights (unscaled):
+
+WSCC= 1.000000 (SC-SC)
+WSCP= 1.233150 (SC-p)
+WELEC= 0.844760 (p-p electr)
+WVDWPP= 0.231730 (p-p VDW)
+WBOND= 1.000000 (stretching)
+WANG= 0.629540 (bending)
+WSCLOC= 0.105540 (SC local)
+WTOR= 1.843160 (torsional)
+WTORD= 1.265710 (double torsional)
+WSTRAIN= 1.000000 (SS bridges & dist. cnstr.)
+WEL_LOC= 0.373570 (multi-body 3-rd order)
+WCORR4= 0.192120 (multi-body 4th order)
+WCORR5= 0.000000 (multi-body 5th order)
+WCORR6= 0.000000 (multi-body 6th order)
+WSCCOR= 0.000000 (back-scloc correlation)
+WTURN3= 1.403230 (turns, 3rd order)
+WTURN4= 0.646730 (turns, 4th order)
+WTURN6= 0.000000 (turns, 6th order)
+WDFA_D= 0.000000 (DFA, distance)
+WDFA_T= 0.000000 (DFA, torsional)
+WDFA_N= 0.000000 (DFA, number of neighbor)
+WDFA_B= 0.000000 (DFA, beta formation)
+
+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
+
+Energy-term weights (scaled):
+
+WSCC= 1.000000 (SC-SC)
+WSCP= 1.233150 (SC-p)
+WELEC= 0.844760 (p-p electr)
+WVDWPP= 0.231730 (p-p VDW)
+WBOND= 1.000000 (stretching)
+WANG= 0.629540 (bending)
+WSCLOC= 0.105540 (SC local)
+WTOR= 1.843160 (torsional)
+WTORD= 1.265710 (double torsional)
+WSTRAIN= 1.000000 (SS bridges & dist. cnstr.)
+WEL_LOC= 0.373570 (multi-body 3-rd order)
+WCORR4= 0.192120 (multi-body 4th order)
+WCORR5= 0.000000 (multi-body 5th order)
+WCORR6= 0.000000 (multi-body 6th order)
+WSCCOR= 0.000000 (back-scloc correlatkion)
+WTURN3= 1.403230 (turns, 3rd order)
+WTURN4= 0.646730 (turns, 4th order)
+WTURN6= 0.000000 (turns, 6th order)
+WDFA_D= 0.000000 (DFA, distance)
+WDFA_T= 0.000000 (DFA, torsional)
+WDFA_N= 0.000000 (DFA, number of neighbor)
+WDFA_B= 0.000000 (DFA, beta formation)
+ Reference temperature for weights calculation: 300.000000000000
+ Parameters of the SS-bond potential:
+ D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH
+ 11.0000000000000 AKCT 12.0000000000000
+ V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS
+ 13.7000000000000
+ EBR -5.50000000000000
+ ITEL
+ 1 21 0
+ 2 14 1
+ 3 5 1
+ 4 8 1
+ 5 4 1
+ 6 13 1
+ 7 7 1
+ 8 5 1
+ 9 19 1
+ 10 16 1
+ 11 10 1
+ 12 10 2
+ 13 20 1
+ 14 12 1
+ 15 12 1
+ 16 10 1
+ 17 18 2
+ 18 20 2
+ 19 20 2
+ 20 20 1
+ 21 12 0
+ ns= 0 iss:
+ NZ_START= 2 NZ_END= 21
+ IZ_SC= 0
+
+Geometry of the virtual chain.
+ Res d Theta Gamma Dsc Alpha Beta
+D 1 0.000 0.000 0.000 0.000 0.000 0.000
+ASN 2 3.800 0.000 0.000 1.684 0.000 0.000
+LEU 3 3.800 0.000 0.000 1.939 0.000 0.000
+TYR 4 3.800 0.000 0.000 2.484 0.000 0.000
+ILE 5 3.800 0.000 0.000 1.776 0.000 0.000
+GLN 6 3.800 0.000 0.000 2.240 0.000 0.000
+TRP 7 3.800 0.000 0.000 2.605 0.000 0.000
+LEU 8 3.800 0.000 0.000 1.939 0.000 0.000
+LYS 9 3.800 0.000 0.000 2.541 0.000 0.000
+ASP 10 3.800 0.000 0.000 1.709 0.000 0.000
+GLY 11 3.800 0.000 0.000 0.000 0.000 0.000
+GLY 12 3.800 0.000 0.000 0.000 0.000 0.000
+PRO 13 3.800 0.000 0.000 1.345 0.000 0.000
+SER 14 3.800 0.000 0.000 1.150 0.000 0.000
+SER 15 3.800 0.000 0.000 1.150 0.000 0.000
+GLY 16 3.800 0.000 0.000 0.000 0.000 0.000
+ARG 17 3.800 0.000 0.000 3.020 0.000 0.000
+PRO 18 3.800 0.000 0.000 1.345 0.000 0.000
+PRO 19 3.800 0.000 0.000 1.345 0.000 0.000
+PRO 20 3.800 0.000 0.000 1.345 0.000 0.000
+SER 21 3.800 0.000 0.000 1.150 0.000 0.000
+D 22 3.800 0.000 0.000 0.000 0.000 0.000
+
+
+********************************************************************************
+ Processor 13: end reading molecular data.
+********************************************************************************
+
+
+CSA calculations calculation.
+
+Conformations will be energy-minimized.
+********************************************************************************
+
+Waiting for 0.1328 sec
+Waiting for 0.0000 sec
+Waiting for 0.0000 sec
+Waiting for 0.0000 sec
+Waiting for 0.0000 sec
+Waiting for 0.0000 sec
+Waiting for 0.0000 sec
+Waiting for 0.0000 sec
+Waiting for 0.0000 sec
+Waiting for 0.0000 sec
+Waiting for 0.0000 sec
+ Finishing minim_jlee - signal 0 from master
+Waiting for 0.0000 sec
+Waiting for 0.0000 sec
+Waiting for 0.0039 sec
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+ CHUJ NASTAPIL ABSOLUTNY!!!!!!!!!!!!
+ Processor 13 received bad variables!!!!
+ Variables
+ -96.2254 -93.1791 179.9021 72.7719 54.1674 58.9196 55.5184 115.4469
+ -33.0459 -61.1819 -22.0873 109.2380 133.5392 -61.4837 -16.6860 -75.1016
+ -137.3105 -174.2473 97.3677 103.0086 142.5003 85.4550 79.8252 84.5150
+ 85.5215 87.0692 84.4591 88.0721 93.2202 99.1429 91.9050 98.9523
+ 82.9218 83.4309 123.2771 105.2040 92.1522 97.7833 105.6696 100.8021
+ 122.0702 113.3414 0.0000 159.8464 151.0198 152.8756 114.6877 87.6170
+ 116.4148 133.5397 93.6216 88.0675 110.7969 108.7744 117.9244 90.0101
+ -84.3274 -49.5084 -86.0950 36.5285 -167.6168 53.0662 -175.1593 -121.9141
+ -94.8521 -129.9042 -107.2327 -85.8457 -68.8637 -120.3433 -120.3115 -133.6402
+ -86.7547
+ Continuing calculations at this point
+ could destroy the results obtained so far... ABORTING!!!!!!
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+ Finishing minim_jlee - signal 0 from master
+ End of minim, proc 13 time 234.625000000000
+CG processor 13 is finishing work.
+ Total wall clock time 241.152343750000 sec