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 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
Processor 3 out of 4 rank in CG_COMM 3
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
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
0 size of FG_COMM1 1
Inside initializeInside initializeInside initializeInside initialize MPI: node= 2 iseed= -9179228
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
Processor 2 0 0 ivec_start 1
ivec_end 21
Processor 0 0 0 ivec_start 1
ivec_end 21
MPI: node= 1 iseed= -6119485
MPI: node= 3 iseed= -12238971
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
Call Read_Bridge.
ns= 0
ns= 0
Processor 1 0 0 ivec_start 1
ivec_end 21
Processor 3 0 0 ivec_start 1
ivec_end 21
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
[dell15:07969] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:07969] 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
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
UPDATING 100 100
UPDATING 100 100
End of minim, proc 2 time 54.44372081756592
End of minim, proc 3 time 54.44508409500122
End of minim, proc 1 time 54.44880819320679
End of cycle, master time for 32 iters 54.44460391998291
sec, Eval/s 11259.51803967486
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
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
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 2 time 93.97231483459473
End of minim, proc 3 time 93.97238206863403
End of minim, proc 1 time 94.00365495681763
End of cycle, master time for 20 iters 35.55176186561584
sec, Eval/s 11267.28969197491
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
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
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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 142.6646711826324
End of minim, proc 2 time 142.6646869182587
End of minim, proc 3 time 142.6782281398773
End of cycle, master time for 25 iters 44.52743411064148
sec, Eval/s 11267.70518043605
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
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
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 2 time 201.2057578563690
End of minim, proc 3 time 201.2058241367340
End of minim, proc 1 time 201.2058641910553
End of cycle, master time for 31 iters 54.55460095405579
sec, Eval/s 11248.76709329825
UPDATING 3 4
End of RUN, master time 201.2160210609436 sec, Eval/s
11255.73892207139
CG processor 2 is finishing work.
CG processor 3 is finishing work.
CG processor 1 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= -200.13481
Emin= -200.13481
Emin= -200.13481
Emin= -200.13481
difference .00005 from reference emin -200.13486
difference .00005 from reference emin -200.13486
difference .00005 from reference emin -200.13486
difference .00005 from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4675 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 20059 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 64583 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77467 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 85227 m 105 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 93282 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 107822 m 189 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132823 m 257 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149403 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153616 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162459 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 180738 m 420 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 204019 m 500 rms 3.07 %NC 46.7 ENERGY -1.92129E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204407 m 501 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 222574 m 560 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 224139 m 566 rms 2.56 %NC 46.7 ENERGY -1.96118E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 236816 m 601 rms 2.21 %NC 53.3 ENERGY -1.99006E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 241570 m 624 rms 2.22 %NC 53.3 ENERGY -1.99143E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 243095 m 628 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 250353 m 651 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 251569 m 656 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 261369 m 697 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 279156 m 749 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 302127 m 839 rms 3.29 %NC 46.7 ENERGY -1.99728E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 321380 m 910 rms 3.30 %NC 46.7 ENERGY -1.99728E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 330860 m 940 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 338372 m 974 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 340643 m 989 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 363552 m 1077 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 375450 m 1123 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 385105 m 1163 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 393451 m 1192 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 431146 m 1335 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 472237 m 1467 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 491295 m 1546 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4675 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 20059 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 64583 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77467 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 85227 m 105 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 93282 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 107822 m 189 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132823 m 257 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149403 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153616 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162459 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 180738 m 420 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 204019 m 500 rms 3.07 %NC 46.7 ENERGY -1.92129E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204407 m 501 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 222574 m 560 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 224139 m 566 rms 2.56 %NC 46.7 ENERGY -1.96118E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 236816 m 601 rms 2.21 %NC 53.3 ENERGY -1.99006E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 241570 m 624 rms 2.22 %NC 53.3 ENERGY -1.99143E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 243095 m 628 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 250353 m 651 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 251569 m 656 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 261369 m 697 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 279156 m 749 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 302127 m 839 rms 3.29 %NC 46.7 ENERGY -1.99728E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 321380 m 910 rms 3.30 %NC 46.7 ENERGY -1.99728E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 330860 m 940 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 338372 m 974 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 340643 m 989 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 363552 m 1077 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 375450 m 1123 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 385105 m 1163 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 393451 m 1192 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 431146 m 1335 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 472237 m 1467 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 491295 m 1546 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4675 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 20059 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 64583 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77467 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 85227 m 105 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 93282 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 107822 m 189 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132823 m 257 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149403 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153616 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162459 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 180738 m 420 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 204019 m 500 rms 3.07 %NC 46.7 ENERGY -1.92129E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204407 m 501 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 222574 m 560 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4675 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 224139 m 566 rms 2.56 %NC 46.7 ENERGY -1.96118E+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@022.pdb:REMARK GM 22 e 236816 m 601 rms 2.21 %NC 53.3 ENERGY -1.99006E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 20059 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 241570 m 624 rms 2.22 %NC 53.3 ENERGY -1.99143E+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@024.pdb:REMARK GM 24 e 243095 m 628 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64583 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 250353 m 651 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77467 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 251569 m 656 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 261369 m 697 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 85227 m 105 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 279156 m 749 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 93282 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 302127 m 839 rms 3.29 %NC 46.7 ENERGY -1.99728E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 321380 m 910 rms 3.30 %NC 46.7 ENERGY -1.99728E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 107822 m 189 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 330860 m 940 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 338372 m 974 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132823 m 257 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 340643 m 989 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149403 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 363552 m 1077 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153616 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 375450 m 1123 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 385105 m 1163 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 393451 m 1192 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162459 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 431146 m 1335 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 180738 m 420 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 472237 m 1467 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 204019 m 500 rms 3.07 %NC 46.7 ENERGY -1.92129E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 491295 m 1546 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204407 m 501 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 222574 m 560 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 224139 m 566 rms 2.56 %NC 46.7 ENERGY -1.96118E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 236816 m 601 rms 2.21 %NC 53.3 ENERGY -1.99006E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 241570 m 624 rms 2.22 %NC 53.3 ENERGY -1.99143E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 243095 m 628 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 250353 m 651 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 251569 m 656 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 261369 m 697 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 279156 m 749 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 302127 m 839 rms 3.29 %NC 46.7 ENERGY -1.99728E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 321380 m 910 rms 3.30 %NC 46.7 ENERGY -1.99728E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 330860 m 940 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 338372 m 974 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 340643 m 989 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 363552 m 1077 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 375450 m 1123 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 385105 m 1163 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 393451 m 1192 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 431146 m 1335 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 472237 m 1467 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 491295 m 1546 rms 3.38 %NC 46.7 ENERGY -2.00135E+02