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
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
0 size of FG_COMM1 1
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
Inside initializeInside initializeInside initializeInside initialize MPI: node= 0 iseed= -3059742
MPI: node= 3 iseed= -12238971
MPI: node= 1 iseed= -6119485
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 0 0 0 ivec_start 1
ivec_end 21
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
MPI: node= 2 iseed= -9179228
Processor 3 0 0 ivec_start 1
ivec_end 21
Processor 1 0 0 ivec_start 1
ivec_end 21
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
[dell15:193528] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:193528] 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
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UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 2 time 46.18015909194946
End of minim, proc 1 time 46.18238615989685
End of cycle, master time for 27 iters 46.23102402687073
sec, Eval/s 11257.02947218983
End of minim, proc 3 time 46.23522400856018
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
UPDATING 100 100
End of minim, proc 3 time 98.66692519187927
End of minim, proc 2 time 98.67416310310364
End of cycle, master time for 27 iters 48.43585586547852
sec, Eval/s 11286.30825721860
End of minim, proc 1 time 98.67839312553406
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
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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 142.5383470058441
End of minim, proc 2 time 142.5383651256561
End of cycle, master time for 22 iters 39.74602079391479
sec, Eval/s 11291.36932542214
End of minim, proc 3 time 142.5406820774078
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
UPDATING 100 100
End of minim, proc 2 time 204.5189139842987
End of minim, proc 1 time 204.5189411640167
End of cycle, master time for 32 iters 58.01560783386230
sec, Eval/s 11075.46786099445
End of minim, proc 3 time 204.5306751728058
UPDATING 3 4
End of RUN, master time 204.5350451469421 sec, Eval/s
11217.01172702090
CG processor 1 is finishing work.
CG processor 2 is finishing work.
CG processor 0 is finishing work.
CG processor 3 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= -200.00125
Emin= -200.00125
Emin= -200.00125
Emin= -200.00125
difference .13361 from reference emin -200.13486
difference .13361 from reference emin -200.13486
difference .13361 from reference emin -200.13486
difference .13361 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 19250 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 65065 m 51 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 93504 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 132535 m 257 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 148964 m 305 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153887 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161501 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162943 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 181058 m 421 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 203995 m 500 rms 3.07 %NC 46.7 ENERGY -1.92129E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204383 m 501 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 222027 m 558 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 224125 m 566 rms 2.56 %NC 46.7 ENERGY -1.96118E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 236800 m 601 rms 2.21 %NC 53.3 ENERGY -1.99006E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 241633 m 625 rms 2.22 %NC 53.3 ENERGY -1.99143E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 242611 m 627 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 250349 m 653 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 251354 m 657 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 267794 m 708 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 273963 m 728 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 278674 m 746 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 280137 m 759 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 375948 m 1118 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 396439 m 1188 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 624454 m 1861 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 643285 m 1901 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 650591 m 1926 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 671487 m 1987 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 693320 m 2050 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 734579 m 2182 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 1328010 m 3810 rms 3.28 %NC 46.7 ENERGY -2.00000E+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@040.pdb:REMARK GM 40 e 1367763 m 3926 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1632528 m 4632 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19250 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@042.pdb:REMARK GM 42 e 1761135 m 4856 rms 3.28 %NC 46.7 ENERGY -2.00001E+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@043.pdb:REMARK GM 43 e 1822933 m 5030 rms 3.28 %NC 46.7 ENERGY -2.00001E+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@044.pdb:REMARK GM 44 e 1861301 m 5132 rms 3.28 %NC 46.7 ENERGY -2.00001E+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@045.pdb:REMARK GM 45 e 2339074 m 6459 rms 3.28 %NC 46.7 ENERGY -2.00001E+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 93504 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 132535 m 257 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 148964 m 305 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153887 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161501 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162943 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 181058 m 421 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 203995 m 500 rms 3.07 %NC 46.7 ENERGY -1.92129E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204383 m 501 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 222027 m 558 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 224125 m 566 rms 2.56 %NC 46.7 ENERGY -1.96118E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 236800 m 601 rms 2.21 %NC 53.3 ENERGY -1.99006E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 241633 m 625 rms 2.22 %NC 53.3 ENERGY -1.99143E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 242611 m 627 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 250349 m 653 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 251354 m 657 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 267794 m 708 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 273963 m 728 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 278674 m 746 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 280137 m 759 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 375948 m 1118 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 396439 m 1188 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 624454 m 1861 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 643285 m 1901 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 650591 m 1926 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 671487 m 1987 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 693320 m 2050 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 734579 m 2182 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 1328010 m 3810 rms 3.28 %NC 46.7 ENERGY -2.00000E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 1367763 m 3926 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1632528 m 4632 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1761135 m 4856 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1822933 m 5030 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 1861301 m 5132 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 2339074 m 6459 rms 3.28 %NC 46.7 ENERGY -2.00001E+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 19250 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 65065 m 51 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 93504 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 132535 m 257 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 148964 m 305 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153887 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161501 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162943 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 181058 m 421 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 203995 m 500 rms 3.07 %NC 46.7 ENERGY -1.92129E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204383 m 501 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 222027 m 558 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 224125 m 566 rms 2.56 %NC 46.7 ENERGY -1.96118E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 236800 m 601 rms 2.21 %NC 53.3 ENERGY -1.99006E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 241633 m 625 rms 2.22 %NC 53.3 ENERGY -1.99143E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 242611 m 627 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 250349 m 653 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 251354 m 657 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 267794 m 708 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 273963 m 728 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 278674 m 746 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 280137 m 759 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 375948 m 1118 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 396439 m 1188 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 624454 m 1861 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 643285 m 1901 rms 3.32 %NC 46.7 ENERGY -1.99990E+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@035.pdb:REMARK GM 35 e 650591 m 1926 rms 3.32 %NC 46.7 ENERGY -1.99990E+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@036.pdb:REMARK GM 36 e 671487 m 1987 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19250 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 693320 m 2050 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@038.pdb:REMARK GM 38 e 734579 m 2182 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@039.pdb:REMARK GM 39 e 1328010 m 3810 rms 3.28 %NC 46.7 ENERGY -2.00000E+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@040.pdb:REMARK GM 40 e 1367763 m 3926 rms 3.28 %NC 46.7 ENERGY -2.00001E+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@041.pdb:REMARK GM 41 e 1632528 m 4632 rms 3.28 %NC 46.7 ENERGY -2.00001E+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@042.pdb:REMARK GM 42 e 1761135 m 4856 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1822933 m 5030 rms 3.28 %NC 46.7 ENERGY -2.00001E+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@044.pdb:REMARK GM 44 e 1861301 m 5132 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132535 m 257 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 2339074 m 6459 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 148964 m 305 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153887 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161501 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162943 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 181058 m 421 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 203995 m 500 rms 3.07 %NC 46.7 ENERGY -1.92129E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204383 m 501 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 222027 m 558 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 224125 m 566 rms 2.56 %NC 46.7 ENERGY -1.96118E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 236800 m 601 rms 2.21 %NC 53.3 ENERGY -1.99006E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 241633 m 625 rms 2.22 %NC 53.3 ENERGY -1.99143E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 242611 m 627 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 250349 m 653 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 251354 m 657 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 267794 m 708 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 273963 m 728 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 278674 m 746 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 280137 m 759 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 375948 m 1118 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 396439 m 1188 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 624454 m 1861 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 643285 m 1901 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 650591 m 1926 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 671487 m 1987 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 693320 m 2050 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 734579 m 2182 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 1328010 m 3810 rms 3.28 %NC 46.7 ENERGY -2.00000E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 1367763 m 3926 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1632528 m 4632 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1761135 m 4856 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1822933 m 5030 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 1861301 m 5132 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 2339074 m 6459 rms 3.28 %NC 46.7 ENERGY -2.00001E+02