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
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
0 size of FG_COMM1 1
Inside initializeInside initializeInside initializeInside initialize MPI: node= 0 iseed= -3059742
MPI: node= 2 iseed= -9179228
MPI: node= 3 iseed= -12238971
MPI: node= 1 iseed= -6119485
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
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
Processor 3 0 0 ivec_start 1
ivec_end 21
Processor 1 0 0 ivec_start 1
ivec_end 21
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
[dell15:50843] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:50843] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
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
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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
UPDATING 100 100
End of minim, proc 2 time 45.98257994651794
End of cycle, master time for 32 iters 45.97867512702942
sec, Eval/s 13330.65814329391
End of minim, proc 3 time 45.98261094093323
End of minim, proc 1 time 45.98260903358459
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
End of minim, proc 2 time 90.43300700187683
End of minim, proc 3 time 90.43302488327026
End of cycle, master time for 27 iters 41.11641788482666
sec, Eval/s 13192.71054982096
End of minim, proc 1 time 90.50832700729370
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
End of minim, proc 2 time 98.86232399940491
End of minim, proc 3 time 98.86322307586670
End of cycle, master time for 3 iters 4.902460098266602
sec, Eval/s 13167.06280237217
End of minim, proc 1 time 98.89502811431885
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
End of minim, proc 3 time 147.7072319984436
End of minim, proc 1 time 147.7163400650024
End of cycle, master time for 30 iters 45.41365599632263
sec, Eval/s 13218.73315041207
End of minim, proc 2 time 147.7188150882721
UPDATING 3 4
End of RUN, master time 147.7234230041504 sec, Eval/s
13241.46137572944
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= -200.13480
Emin= -200.13480
Emin= -200.13480
Emin= -200.13480
difference .00006 from reference emin -200.13486
difference .00006 from reference emin -200.13486
difference .00006 from reference emin -200.13486
difference .00006 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 64129 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 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 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132118 m 254 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 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 164152 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 192526 m 445 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 194581 m 450 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 201540 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 220577 m 527 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 260625 m 647 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 279010 m 721 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 316088 m 832 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 322101 m 848 rms 2.23 %NC 46.7 ENERGY -1.98813E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 355341 m 907 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 394154 m 1033 rms 2.23 %NC 53.3 ENERGY -1.99082E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 417051 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 450339 m 1218 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 482581 m 1350 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 506186 m 1436 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 514376 m 1463 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 524378 m 1497 rms 3.44 %NC 46.7 ENERGY -1.99816E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 544475 m 1564 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 564230 m 1640 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 593192 m 1742 rms 3.38 %NC 46.7 ENERGY -2.00088E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 613614 m 1827 rms 3.38 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 617622 m 1838 rms 3.39 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 620716 m 1853 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 648508 m 1957 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 725144 m 2054 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 765685 m 2178 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 805035 m 2295 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 825114 m 2349 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@005.pdb:REMARK GM 5 e 64129 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 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 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132118 m 254 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 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 164152 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 192526 m 445 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 194581 m 450 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 201540 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 220577 m 527 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 260625 m 647 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 279010 m 721 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 316088 m 832 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 322101 m 848 rms 2.23 %NC 46.7 ENERGY -1.98813E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 355341 m 907 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 394154 m 1033 rms 2.23 %NC 53.3 ENERGY -1.99082E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 417051 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 450339 m 1218 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 482581 m 1350 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 506186 m 1436 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 514376 m 1463 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 524378 m 1497 rms 3.44 %NC 46.7 ENERGY -1.99816E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 544475 m 1564 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 564230 m 1640 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 593192 m 1742 rms 3.38 %NC 46.7 ENERGY -2.00088E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 613614 m 1827 rms 3.38 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 617622 m 1838 rms 3.39 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 620716 m 1853 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 648508 m 1957 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 725144 m 2054 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 765685 m 2178 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 805035 m 2295 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 825114 m 2349 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@005.pdb:REMARK GM 5 e 64129 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 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 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132118 m 254 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 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 164152 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 192526 m 445 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 194581 m 450 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 201540 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+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@020.pdb:REMARK GM 20 e 220577 m 527 rms 2.51 %NC 46.7 ENERGY -1.94880E+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@021.pdb:REMARK GM 21 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+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 64129 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 260625 m 647 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 279010 m 721 rms 2.48 %NC 46.7 ENERGY -1.98203E+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@024.pdb:REMARK GM 24 e 316088 m 832 rms 2.48 %NC 46.7 ENERGY -1.98203E+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@025.pdb:REMARK GM 25 e 322101 m 848 rms 2.23 %NC 46.7 ENERGY -1.98813E+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@026.pdb:REMARK GM 26 e 355341 m 907 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 394154 m 1033 rms 2.23 %NC 53.3 ENERGY -1.99082E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 107339 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 417051 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+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 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 450339 m 1218 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 482581 m 1350 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 506186 m 1436 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 164152 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 192526 m 445 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 514376 m 1463 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 194581 m 450 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 524378 m 1497 rms 3.44 %NC 46.7 ENERGY -1.99816E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 201540 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 544475 m 1564 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 564230 m 1640 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 220577 m 527 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 260625 m 647 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 593192 m 1742 rms 3.38 %NC 46.7 ENERGY -2.00088E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 613614 m 1827 rms 3.38 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 279010 m 721 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 617622 m 1838 rms 3.39 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 316088 m 832 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 322101 m 848 rms 2.23 %NC 46.7 ENERGY -1.98813E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 355341 m 907 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 620716 m 1853 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 394154 m 1033 rms 2.23 %NC 53.3 ENERGY -1.99082E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 648508 m 1957 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 725144 m 2054 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 417051 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 450339 m 1218 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 765685 m 2178 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 482581 m 1350 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 506186 m 1436 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 805035 m 2295 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 825114 m 2349 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 514376 m 1463 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 524378 m 1497 rms 3.44 %NC 46.7 ENERGY -1.99816E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 544475 m 1564 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 564230 m 1640 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 593192 m 1742 rms 3.38 %NC 46.7 ENERGY -2.00088E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 613614 m 1827 rms 3.38 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 617622 m 1838 rms 3.39 %NC 46.7 ENERGY -2.00089E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 620716 m 1853 rms 3.38 %NC 46.7 ENERGY -2.00090E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 648508 m 1957 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 725144 m 2054 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 765685 m 2178 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 805035 m 2295 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 825114 m 2349 rms 3.38 %NC 46.7 ENERGY -2.00135E+02