Monday, September 23 2024 14:26:16
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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 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 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 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
MPI: node= 0 iseed= -3059742
MPI: node= 2 iseed= -9179228
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
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
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
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
[dell15:77184] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:77184] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
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End of minim, proc 1 time 46.41833996772766
End of minim, proc 3 time 46.42475008964539
End of minim, proc 2 time 46.46759486198425
End of cycle, master time for 36 iters 46.46357607841492
sec, Eval/s 15153.07385750449
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 82.03881192207336
End of minim, proc 1 time 82.03883910179138
End of minim, proc 3 time 82.03882718086243
End of cycle, master time for 25 iters 32.59856081008911
sec, Eval/s 15216.86809702578
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
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End of minim, proc 1 time 118.7794160842896
End of minim, proc 3 time 118.7794151306152
End of minim, proc 2 time 118.7830088138580
End of cycle, master time for 25 iters 33.56711006164551
sec, Eval/s 15181.58694818003
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 152.7641329765320
End of minim, proc 1 time 152.7641739845276
End of cycle, master time for 23 iters 30.90420198440552
sec, Eval/s 14774.68987001844
End of minim, proc 3 time 152.7690610885620
UPDATING 3 4
End of RUN, master time 152.7745571136475 sec, Eval/s
15069.03402958284
CG processor 0 is finishing work.
CG processor 3 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
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 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64329 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77537 m 79 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 85526 m 107 rms 2.46 %NC 46.7 ENERGY -1.88323E+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 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64329 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77537 m 79 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 85526 m 107 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@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 107666 m 188 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@010.pdb:REMARK GM 10 e 107666 m 188 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 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153678 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153678 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 184458 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 184458 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184981 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184981 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 201507 m 484 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 206462 m 498 rms 2.13 %NC 53.3 ENERGY -1.92652E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 208944 m 503 rms 3.45 %NC 46.7 ENERGY -1.93335E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 201507 m 484 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 206462 m 498 rms 2.13 %NC 53.3 ENERGY -1.92652E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 208944 m 503 rms 3.45 %NC 46.7 ENERGY -1.93335E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 236257 m 593 rms 3.45 %NC 46.7 ENERGY -1.93335E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 236257 m 593 rms 3.45 %NC 46.7 ENERGY -1.93335E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 241155 m 616 rms 3.45 %NC 46.7 ENERGY -1.93335E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 241155 m 616 rms 3.45 %NC 46.7 ENERGY -1.93335E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 266244 m 701 rms 2.90 %NC 53.3 ENERGY -1.93672E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 293159 m 785 rms 2.90 %NC 53.3 ENERGY -1.93672E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 316908 m 872 rms 2.90 %NC 53.3 ENERGY -1.93672E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 319160 m 882 rms 2.90 %NC 53.3 ENERGY -1.93672E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 266244 m 701 rms 2.90 %NC 53.3 ENERGY -1.93672E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 293159 m 785 rms 2.90 %NC 53.3 ENERGY -1.93672E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 316908 m 872 rms 2.90 %NC 53.3 ENERGY -1.93672E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 319160 m 882 rms 2.90 %NC 53.3 ENERGY -1.93672E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 328877 m 914 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 328877 m 914 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 349972 m 993 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 349972 m 993 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 357858 m 1016 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 357858 m 1016 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 437717 m 1302 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 448052 m 1330 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 437717 m 1302 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 448052 m 1330 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
difference .00002 from reference emin -200.13486
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 475097 m 1412 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 475097 m 1412 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 494228 m 1490 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 494228 m 1490 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 534956 m 1629 rms 3.28 %NC 46.7 ENERGY -2.00000E+02
difference .00002 from reference emin -200.13486
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 534956 m 1629 rms 3.28 %NC 46.7 ENERGY -2.00000E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 562715 m 1716 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 562715 m 1716 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 569576 m 1737 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 569576 m 1737 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 608513 m 1859 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 609073 m 1865 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 608513 m 1859 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 609073 m 1865 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 716962 m 2247 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 716962 m 2247 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 728363 m 2286 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 728363 m 2286 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 738793 m 2317 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 748008 m 2338 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 738793 m 2317 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 748008 m 2338 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 815527 m 2415 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 815527 m 2415 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 854494 m 2541 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 854494 m 2541 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 893897 m 2661 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 893897 m 2661 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 932680 m 2791 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 932680 m 2791 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 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+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 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64329 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64329 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77537 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77537 m 79 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 85526 m 107 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 107666 m 188 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 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+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 85526 m 107 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 107666 m 188 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 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153678 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 184458 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153678 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 184458 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184981 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 201507 m 484 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 206462 m 498 rms 2.13 %NC 53.3 ENERGY -1.92652E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 208944 m 503 rms 3.45 %NC 46.7 ENERGY -1.93335E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 236257 m 593 rms 3.45 %NC 46.7 ENERGY -1.93335E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 241155 m 616 rms 3.45 %NC 46.7 ENERGY -1.93335E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 266244 m 701 rms 2.90 %NC 53.3 ENERGY -1.93672E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 293159 m 785 rms 2.90 %NC 53.3 ENERGY -1.93672E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 316908 m 872 rms 2.90 %NC 53.3 ENERGY -1.93672E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 319160 m 882 rms 2.90 %NC 53.3 ENERGY -1.93672E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 328877 m 914 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 349972 m 993 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184981 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 201507 m 484 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 206462 m 498 rms 2.13 %NC 53.3 ENERGY -1.92652E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 208944 m 503 rms 3.45 %NC 46.7 ENERGY -1.93335E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 236257 m 593 rms 3.45 %NC 46.7 ENERGY -1.93335E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 241155 m 616 rms 3.45 %NC 46.7 ENERGY -1.93335E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 266244 m 701 rms 2.90 %NC 53.3 ENERGY -1.93672E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 293159 m 785 rms 2.90 %NC 53.3 ENERGY -1.93672E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 316908 m 872 rms 2.90 %NC 53.3 ENERGY -1.93672E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 319160 m 882 rms 2.90 %NC 53.3 ENERGY -1.93672E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 328877 m 914 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 349972 m 993 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 357858 m 1016 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 437717 m 1302 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 448052 m 1330 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 475097 m 1412 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 494228 m 1490 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 534956 m 1629 rms 3.28 %NC 46.7 ENERGY -2.00000E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 562715 m 1716 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 569576 m 1737 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 608513 m 1859 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 609073 m 1865 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 716962 m 2247 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 728363 m 2286 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 738793 m 2317 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 748008 m 2338 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 815527 m 2415 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 854494 m 2541 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 893897 m 2661 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 932680 m 2791 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 357858 m 1016 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 437717 m 1302 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 448052 m 1330 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 475097 m 1412 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 494228 m 1490 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 534956 m 1629 rms 3.28 %NC 46.7 ENERGY -2.00000E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 562715 m 1716 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 569576 m 1737 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 608513 m 1859 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 609073 m 1865 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 716962 m 2247 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 728363 m 2286 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 738793 m 2317 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 748008 m 2338 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 815527 m 2415 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 854494 m 2541 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 893897 m 2661 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 932680 m 2791 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
