CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
--------------------------------------------------------------------------
The library attempted to open the following supporting CUDA libraries,
but each of them failed. CUDA-aware support is disabled.
libcuda.so.1: cannot open shared object file: No such file or directory
/usr/lib64/libcuda.so.1: cannot open shared object file: No such file or directory
If you are not interested in CUDA-aware support, then run with
--mca mpi_cuda_support 0 to suppress this message. If you are interested
in CUDA-aware support, then try setting LD_LIBRARY_PATH to the location
of libcuda.so.1 to get passed this issue.
--------------------------------------------------------------------------
Processor 1 out of 4 rank in CG_COMM 1
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Processor 3 out of 4 rank in CG_COMM 3
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Processor 2 out of 4 rank in CG_COMM 2
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Processor 0 out of 4 rank in CG_COMM 0
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Inside initializeInside initializeInside initializeInside initialize MPI: node= 3 iseed= -12238971
MPI: node= 1 iseed= -6119485
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 3 0 0 ivec_start 1
ivec_end 21
Processor 1 0 0 ivec_start 1
ivec_end 21
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 0 0 0 ivec_start 1
ivec_end 21
MPI: node= 2 iseed= -9179228
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 2 0 0 ivec_start 1
ivec_end 21
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
[dell15:185141] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:185141] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
UPDATING 100 100
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End of minim, proc 2 time 38.57665896415710
End of minim, proc 1 time 38.57667899131775
End of cycle, master time for 27 iters 38.57314991950989
sec, Eval/s 13525.78156278893
End of minim, proc 3 time 38.57725214958191
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
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UPDATING 100 100
UPDATING 100 100
End of minim, proc 3 time 77.34902405738831
End of minim, proc 2 time 77.34905099868774
End of cycle, master time for 27 iters 35.79912495613098
sec, Eval/s 15007.62939480700
End of minim, proc 1 time 77.35006904602051
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
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UPDATING 100 100
End of minim, proc 2 time 110.2244169712067
End of minim, proc 1 time 110.2245779037476
End of minim, proc 3 time 110.2268331050873
End of cycle, master time for 23 iters 29.81146693229675
sec, Eval/s 15242.99361155223
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
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UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 1 time 152.7061040401459
End of minim, proc 3 time 152.7060899734497
End of cycle, master time for 30 iters 39.52789211273193
sec, Eval/s 15229.62565985393
End of minim, proc 2 time 152.7328481674194
UPDATING 3 4
End of RUN, master time 152.7373120784760 sec, Eval/s
14739.37160059039
CG processor 3 is finishing work.
CG processor 1 is finishing work.
CG processor 2 is finishing work.
CG processor 0 is finishing work.
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Emin= -200.13480
Emin= -200.13480
Emin= -200.13480
Emin= -200.13480
difference .00006 from reference emin -200.13486
difference .00006 from reference emin -200.13486
difference .00006 from reference emin -200.13486
difference .00006 from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5513 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19537 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 65065 m 51 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77685 m 80 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85392 m 107 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 86025 m 110 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 133903 m 259 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5513 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19537 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 65065 m 51 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184673 m 430 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77685 m 80 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 209634 m 499 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85392 m 107 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 235428 m 588 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 241230 m 609 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 86025 m 110 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 254752 m 647 rms 2.28 %NC 46.7 ENERGY -1.96995E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 264499 m 689 rms 2.32 %NC 46.7 ENERGY -1.97713E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 294434 m 792 rms 2.55 %NC 46.7 ENERGY -1.98938E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 133903 m 259 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 313250 m 862 rms 2.55 %NC 46.7 ENERGY -1.98939E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 316732 m 881 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 336073 m 953 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 364891 m 1046 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184673 m 430 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 386501 m 1122 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 390724 m 1133 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 209634 m 499 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 413363 m 1219 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 235428 m 588 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 489928 m 1479 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 241230 m 609 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 547766 m 1715 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 254752 m 647 rms 2.28 %NC 46.7 ENERGY -1.96995E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 632985 m 1834 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 264499 m 689 rms 2.32 %NC 46.7 ENERGY -1.97713E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 774622 m 2285 rms 3.32 %NC 46.7 ENERGY -1.99989E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 294434 m 792 rms 2.55 %NC 46.7 ENERGY -1.98938E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 795133 m 2347 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 313250 m 862 rms 2.55 %NC 46.7 ENERGY -1.98939E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 836529 m 2488 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 316732 m 881 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 336073 m 953 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 876639 m 2609 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 364891 m 1046 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 897292 m 2680 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 386501 m 1122 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1359751 m 3926 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 390724 m 1133 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1373286 m 3967 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 413363 m 1219 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 489928 m 1479 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 1391290 m 4017 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 1630036 m 4584 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 547766 m 1715 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1649792 m 4639 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 632985 m 1834 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 774622 m 2285 rms 3.32 %NC 46.7 ENERGY -1.99989E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1758186 m 4811 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 795133 m 2347 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1777663 m 4867 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 836529 m 2488 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 876639 m 2609 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 897292 m 2680 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1359751 m 3926 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1373286 m 3967 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 1391290 m 4017 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 1630036 m 4584 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1649792 m 4639 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1758186 m 4811 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1777663 m 4867 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5513 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19537 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 65065 m 51 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77685 m 80 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85392 m 107 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 86025 m 110 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 133903 m 259 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184673 m 430 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 209634 m 499 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 235428 m 588 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 241230 m 609 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 254752 m 647 rms 2.28 %NC 46.7 ENERGY -1.96995E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 264499 m 689 rms 2.32 %NC 46.7 ENERGY -1.97713E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 294434 m 792 rms 2.55 %NC 46.7 ENERGY -1.98938E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 313250 m 862 rms 2.55 %NC 46.7 ENERGY -1.98939E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 316732 m 881 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 336073 m 953 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 364891 m 1046 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 386501 m 1122 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 390724 m 1133 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 413363 m 1219 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 489928 m 1479 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 547766 m 1715 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 632985 m 1834 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5513 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 774622 m 2285 rms 3.32 %NC 46.7 ENERGY -1.99989E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 795133 m 2347 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19537 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 836529 m 2488 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 876639 m 2609 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 65065 m 51 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 897292 m 2680 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1359751 m 3926 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77685 m 80 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1373286 m 3967 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 1391290 m 4017 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85392 m 107 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 1630036 m 4584 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 86025 m 110 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1649792 m 4639 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1758186 m 4811 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1777663 m 4867 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 133903 m 259 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184673 m 430 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 209634 m 499 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 235428 m 588 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 241230 m 609 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 254752 m 647 rms 2.28 %NC 46.7 ENERGY -1.96995E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 264499 m 689 rms 2.32 %NC 46.7 ENERGY -1.97713E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 294434 m 792 rms 2.55 %NC 46.7 ENERGY -1.98938E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 313250 m 862 rms 2.55 %NC 46.7 ENERGY -1.98939E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 316732 m 881 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 336073 m 953 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 364891 m 1046 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 386501 m 1122 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 390724 m 1133 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 413363 m 1219 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 489928 m 1479 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 547766 m 1715 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 632985 m 1834 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 774622 m 2285 rms 3.32 %NC 46.7 ENERGY -1.99989E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 795133 m 2347 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 836529 m 2488 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 876639 m 2609 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 897292 m 2680 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1359751 m 3926 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1373286 m 3967 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 1391290 m 4017 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 1630036 m 4584 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1649792 m 4639 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1758186 m 4811 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1777663 m 4867 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
156.12s
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