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= 2 iseed= -9179228
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 2 0 0 ivec_start 1
ivec_end 21
MPI: node= 3 iseed= -12238971
MPI: node= 1 iseed= -6119485
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 3 0 0 ivec_start 1
ivec_end 21
Call Read_Bridge.
ns= 0
Processor 1 0 0 ivec_start 1
ivec_end 21
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 0 0 0 ivec_start 1
ivec_end 21
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
[dell15:161774] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:161774] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
UPDATING 97 97
UPDATING 100 100
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UPDATING 100 100
UPDATING 100 100
End of minim, proc 2 time 82.88476896286011
End of minim, proc 3 time 82.88271307945251
End of cycle, master time for 28 iters 82.98994088172913
End of minim, proc 1 time 82.99666810035706
sec, Eval/s 6508.475536448002
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
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UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 1 time 152.2516629695892
End of minim, proc 3 time 152.2495450973511
End of cycle, master time for 28 iters 63.51922893524170
sec, Eval/s 8718.336309853268
End of minim, proc 2 time 152.2673168182373
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
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UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 2 time 208.3145468235016
End of minim, proc 3 time 208.3124740123749
End of cycle, master time for 24 iters 51.12313795089722
sec, Eval/s 9327.166115233182
End of minim, proc 1 time 208.3699450492859
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
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UPDATING 100 100
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UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 1 time 268.4398720264435
End of minim, proc 3 time 268.4377570152283
End of cycle, master time for 29 iters 55.19557905197144
sec, Eval/s 10300.19088058999
End of minim, proc 2 time 268.4457938671112
UPDATING 3 4
End of RUN, master time 268.4550948143005 sec, Eval/s
8474.892240632584
CG processor 0 is finishing work.
CG processor 1 is finishing work.
CG processor 3 is finishing work.
CG processor 2 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_divide_by_zero is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Emin= -200.00124
Emin= -200.00124
Emin= -200.00124
Emin= -200.00124
difference .13362 from reference emin -200.13486
difference .13362 from reference emin -200.13486
difference .13362 from reference emin -200.13486
difference .13362 from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4984 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 5877 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 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64783 m 50 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 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107822 m 189 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132381 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132997 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149201 m 305 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153467 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161658 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162762 m 357 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184514 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184786 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 210150 m 500 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 235482 m 588 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 241891 m 613 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 255428 m 654 rms 2.13 %NC 53.3 ENERGY -1.99551E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 262024 m 687 rms 2.13 %NC 53.3 ENERGY -1.99552E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 270550 m 717 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 277487 m 749 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 299091 m 831 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 335280 m 950 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 353927 m 998 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 508479 m 1544 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 637483 m 1838 rms 3.49 %NC 46.7 ENERGY -1.99557E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 640518 m 1844 rms 3.32 %NC 46.7 ENERGY -1.99989E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 665385 m 1910 rms 3.32 %NC 46.7 ENERGY -1.99989E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 671661 m 1927 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 730037 m 2100 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 948643 m 2694 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 989627 m 2825 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 1010193 m 2888 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 1168169 m 3381 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 1236972 m 3451 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1251756 m 3488 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1273255 m 3543 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1316441 m 3655 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4984 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 5877 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 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64783 m 50 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 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107822 m 189 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132381 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132997 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149201 m 305 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153467 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161658 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162762 m 357 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184514 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184786 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 210150 m 500 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 235482 m 588 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4984 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 241891 m 613 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 5877 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 255428 m 654 rms 2.13 %NC 53.3 ENERGY -1.99551E+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@024.pdb:REMARK GM 24 e 262024 m 687 rms 2.13 %NC 53.3 ENERGY -1.99552E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 270550 m 717 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64783 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 277487 m 749 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 299091 m 831 rms 2.13 %NC 53.3 ENERGY -1.99556E+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@028.pdb:REMARK GM 28 e 335280 m 950 rms 2.13 %NC 53.3 ENERGY -1.99556E+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@029.pdb:REMARK GM 29 e 353927 m 998 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 508479 m 1544 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 637483 m 1838 rms 3.49 %NC 46.7 ENERGY -1.99557E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107822 m 189 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 640518 m 1844 rms 3.32 %NC 46.7 ENERGY -1.99989E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132381 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 665385 m 1910 rms 3.32 %NC 46.7 ENERGY -1.99989E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132997 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 671661 m 1927 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149201 m 305 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 730037 m 2100 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153467 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 948643 m 2694 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161658 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 989627 m 2825 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162762 m 357 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184514 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 1010193 m 2888 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 1168169 m 3381 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184786 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 1236972 m 3451 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 210150 m 500 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1251756 m 3488 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 235482 m 588 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 241891 m 613 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1273255 m 3543 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 255428 m 654 rms 2.13 %NC 53.3 ENERGY -1.99551E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1316441 m 3655 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 262024 m 687 rms 2.13 %NC 53.3 ENERGY -1.99552E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 270550 m 717 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 277487 m 749 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 299091 m 831 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 335280 m 950 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 353927 m 998 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 508479 m 1544 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 637483 m 1838 rms 3.49 %NC 46.7 ENERGY -1.99557E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 640518 m 1844 rms 3.32 %NC 46.7 ENERGY -1.99989E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4984 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 665385 m 1910 rms 3.32 %NC 46.7 ENERGY -1.99989E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 5877 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 671661 m 1927 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@035.pdb:REMARK GM 35 e 730037 m 2100 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64783 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 948643 m 2694 rms 3.32 %NC 46.7 ENERGY -1.99990E+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@037.pdb:REMARK GM 37 e 989627 m 2825 rms 3.32 %NC 46.7 ENERGY -1.99990E+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@038.pdb:REMARK GM 38 e 1010193 m 2888 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 1168169 m 3381 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 1236972 m 3451 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1251756 m 3488 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107822 m 189 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1273255 m 3543 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132381 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1316441 m 3655 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132997 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149201 m 305 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153467 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161658 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162762 m 357 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184514 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184786 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 210150 m 500 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 235482 m 588 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 241891 m 613 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 255428 m 654 rms 2.13 %NC 53.3 ENERGY -1.99551E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 262024 m 687 rms 2.13 %NC 53.3 ENERGY -1.99552E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 270550 m 717 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 277487 m 749 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 299091 m 831 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 335280 m 950 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 353927 m 998 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 508479 m 1544 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 637483 m 1838 rms 3.49 %NC 46.7 ENERGY -1.99557E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 640518 m 1844 rms 3.32 %NC 46.7 ENERGY -1.99989E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 665385 m 1910 rms 3.32 %NC 46.7 ENERGY -1.99989E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 671661 m 1927 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 730037 m 2100 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 948643 m 2694 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 989627 m 2825 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 1010193 m 2888 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 1168169 m 3381 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 1236972 m 3451 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1251756 m 3488 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1273255 m 3543 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1316441 m 3655 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
278.26s
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