Thursday, September 19 2024 21:06:13
UNRES
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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
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
Inside initializeInside initializeInside initializeInside initialize MPI: node= 1 iseed= -6119485
MPI: node= 3 iseed= -12238971
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
Processor 1 0 0 ivec_start 1
ivec_end 21
Processor 3 0 0 ivec_start 1
ivec_end 21
MPI: node= 2 iseed= -9179228
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
indpdb= 0 pdbref= F
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
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
[dell15:64087] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:64087] 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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End of minim, proc 3 time 58.99001598358154
End of minim, proc 1 time 58.99389696121216
End of cycle, master time for 41 iters 58.98697400093079
sec, Eval/s 13388.82038579463
End of minim, proc 2 time 58.99421715736389
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
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End of minim, proc 2 time 89.64447903633118
End of minim, proc 3 time 89.64769387245178
End of minim, proc 1 time 89.65125489234924
End of cycle, master time for 18 iters 27.25313901901245
sec, Eval/s 13387.59545259975
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
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End of minim, proc 2 time 129.4503810405731
End of minim, proc 3 time 129.4640369415283
End of minim, proc 1 time 129.4662508964539
End of cycle, master time for 25 iters 36.53192496299744
sec, Eval/s 13811.56346157678
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
End of minim, proc 3 time 165.0453760623932
End of minim, proc 1 time 165.0496258735657
End of minim, proc 2 time 165.0739240646362
End of cycle, master time for 25 iters 32.61905503273010
sec, Eval/s 15196.14837102511
UPDATING 3 4
End of RUN, master time 165.0754079818726 sec, Eval/s
13876.78533105034
CG processor 3 is finishing work.
CG processor 0 is finishing work.
CG processor 1 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_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Emin= -200.13484
Emin= -200.13484
Emin= -200.13484
Emin= -200.13484
difference .00002 from reference emin -200.13486
difference .00002 from reference emin -200.13486
difference .00002 from reference emin -200.13486
difference .00002 from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5660 m 1 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 19250 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 65065 m 51 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 77467 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 85227 m 105 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 107666 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 149678 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 184676 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 204167 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 207362 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 226606 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 232193 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 234290 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 241055 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 259432 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 296614 m 800 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 315709 m 872 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 336142 m 943 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 339036 m 950 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 376221 m 1063 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 384751 m 1087 rms 3.11 %NC 46.7 ENERGY -1.93802E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 407047 m 1167 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 414050 m 1190 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 417995 m 1209 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 439093 m 1274 rms 2.22 %NC 46.7 ENERGY -1.96819E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 440057 m 1278 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 456327 m 1333 rms 2.21 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 464172 m 1362 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 473274 m 1391 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 492884 m 1466 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 532563 m 1610 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 537495 m 1628 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 570621 m 1729 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 611377 m 1881 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 611910 m 1885 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 645336 m 1994 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 649626 m 2005 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 669369 m 2073 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 686672 m 2136 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 731217 m 2297 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 780368 m 2463 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5660 m 1 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 19250 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 65065 m 51 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 77467 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 85227 m 105 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 107666 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 149678 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 184676 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 204167 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 207362 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 226606 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 232193 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 234290 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 241055 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 259432 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 296614 m 800 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 315709 m 872 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 336142 m 943 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 339036 m 950 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 376221 m 1063 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 384751 m 1087 rms 3.11 %NC 46.7 ENERGY -1.93802E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 407047 m 1167 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 414050 m 1190 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 417995 m 1209 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 439093 m 1274 rms 2.22 %NC 46.7 ENERGY -1.96819E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 440057 m 1278 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 456327 m 1333 rms 2.21 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 464172 m 1362 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 473274 m 1391 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 492884 m 1466 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 532563 m 1610 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 537495 m 1628 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 570621 m 1729 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 611377 m 1881 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 611910 m 1885 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 645336 m 1994 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 649626 m 2005 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 669369 m 2073 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 686672 m 2136 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 731217 m 2297 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 780368 m 2463 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5660 m 1 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 19250 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 65065 m 51 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 77467 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 85227 m 105 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 107666 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 149678 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 184676 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 204167 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 207362 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5660 m 1 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 226606 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 232193 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 19250 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 234290 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 65065 m 51 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 241055 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 77467 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 259432 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 85227 m 105 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 296614 m 800 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 107666 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 315709 m 872 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 336142 m 943 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 149678 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 339036 m 950 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 376221 m 1063 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 384751 m 1087 rms 3.11 %NC 46.7 ENERGY -1.93802E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 184676 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 407047 m 1167 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 204167 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 414050 m 1190 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 207362 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 417995 m 1209 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 226606 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 232193 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 439093 m 1274 rms 2.22 %NC 46.7 ENERGY -1.96819E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 234290 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 241055 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 440057 m 1278 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 456327 m 1333 rms 2.21 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 259432 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 296614 m 800 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 464172 m 1362 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 315709 m 872 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 336142 m 943 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 473274 m 1391 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 492884 m 1466 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 339036 m 950 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 376221 m 1063 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 532563 m 1610 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 384751 m 1087 rms 3.11 %NC 46.7 ENERGY -1.93802E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 407047 m 1167 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 537495 m 1628 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 414050 m 1190 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 570621 m 1729 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 417995 m 1209 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 439093 m 1274 rms 2.22 %NC 46.7 ENERGY -1.96819E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 611377 m 1881 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 611910 m 1885 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 440057 m 1278 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 456327 m 1333 rms 2.21 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 645336 m 1994 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 464172 m 1362 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 473274 m 1391 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 649626 m 2005 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 492884 m 1466 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 669369 m 2073 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 532563 m 1610 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 537495 m 1628 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 686672 m 2136 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 570621 m 1729 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 731217 m 2297 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 611377 m 1881 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 611910 m 1885 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 780368 m 2463 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 645336 m 1994 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 649626 m 2005 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 669369 m 2073 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 686672 m 2136 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 731217 m 2297 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 780368 m 2463 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
