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 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 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
Inside initializeInside initializeInside initializeInside initialize MPI: node= 1 iseed= -6119485
indpdb= 0 pdbref= F
MPI: node= 3 iseed= -12238971
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
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 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
[dell15:152195] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:152195] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
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
UPDATING 100 100
End of minim, proc 1 time 66.89182186126709
End of minim, proc 2 time 66.89295601844788
End of cycle, master time for 33 iters 67.10132598876953
sec, Eval/s 9659.168286905046
End of minim, proc 3 time 67.10841894149780
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
End of minim, proc 3 time 135.7682809829712
End of minim, proc 2 time 135.7691400051117
End of minim, proc 1 time 135.7737619876862
End of cycle, master time for 29 iters 62.97821712493896
sec, Eval/s 9305.550819855285
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
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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 1 time 193.0182738304138
End of minim, proc 2 time 193.0393249988556
End of minim, proc 3 time 193.0397250652313
End of cycle, master time for 24 iters 52.29688692092896
sec, Eval/s 9350.805158620205
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
End of minim, proc 2 time 243.8888630867004
End of minim, proc 1 time 243.8888819217682
End of cycle, master time for 23 iters 45.97651314735413
End of minim, proc 3 time 243.8975100517273
sec, Eval/s 9902.469083308479
UPDATING 3 4
End of RUN, master time 243.9069371223450 sec, Eval/s
9488.610809126418
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_divide_by_zero 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
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 77557 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77685 m 80 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85526 m 107 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107864 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132535 m 257 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149160 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153616 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162965 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 180980 m 421 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204019 m 500 rms 3.07 %NC 46.7 ENERGY -1.92129E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 204407 m 501 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 222574 m 560 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 224037 m 566 rms 2.56 %NC 46.7 ENERGY -1.96118E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 236538 m 600 rms 2.21 %NC 53.3 ENERGY -1.99006E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 241570 m 624 rms 2.22 %NC 53.3 ENERGY -1.99143E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 242886 m 628 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 250353 m 651 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 251428 m 655 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 261369 m 697 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 279156 m 749 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 302111 m 840 rms 3.29 %NC 46.7 ENERGY -1.99728E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 321415 m 910 rms 3.30 %NC 46.7 ENERGY -1.99728E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 330833 m 940 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 338237 m 972 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 340616 m 989 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 363007 m 1076 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 376097 m 1125 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 376321 m 1126 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 385056 m 1162 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 393586 m 1191 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 431414 m 1334 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 452517 m 1404 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 473115 m 1466 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
difference .00005 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 77557 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77685 m 80 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85526 m 107 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107864 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132535 m 257 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149160 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153616 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162965 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 180980 m 421 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204019 m 500 rms 3.07 %NC 46.7 ENERGY -1.92129E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 204407 m 501 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 222574 m 560 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 224037 m 566 rms 2.56 %NC 46.7 ENERGY -1.96118E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 236538 m 600 rms 2.21 %NC 53.3 ENERGY -1.99006E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 241570 m 624 rms 2.22 %NC 53.3 ENERGY -1.99143E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 242886 m 628 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 250353 m 651 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 251428 m 655 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 261369 m 697 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 279156 m 749 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 302111 m 840 rms 3.29 %NC 46.7 ENERGY -1.99728E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 321415 m 910 rms 3.30 %NC 46.7 ENERGY -1.99728E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 330833 m 940 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 338237 m 972 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 340616 m 989 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 363007 m 1076 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 376097 m 1125 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 376321 m 1126 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 385056 m 1162 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 393586 m 1191 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 431414 m 1334 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 452517 m 1404 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 473115 m 1466 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 64329 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77557 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77685 m 80 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85526 m 107 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107864 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132535 m 257 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149160 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153616 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162965 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 180980 m 421 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204019 m 500 rms 3.07 %NC 46.7 ENERGY -1.92129E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 204407 m 501 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 222574 m 560 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 224037 m 566 rms 2.56 %NC 46.7 ENERGY -1.96118E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 236538 m 600 rms 2.21 %NC 53.3 ENERGY -1.99006E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 241570 m 624 rms 2.22 %NC 53.3 ENERGY -1.99143E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 242886 m 628 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 250353 m 651 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 251428 m 655 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 261369 m 697 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 279156 m 749 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 302111 m 840 rms 3.29 %NC 46.7 ENERGY -1.99728E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 321415 m 910 rms 3.30 %NC 46.7 ENERGY -1.99728E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 330833 m 940 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 338237 m 972 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 340616 m 989 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 363007 m 1076 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 376097 m 1125 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 376321 m 1126 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 385056 m 1162 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 393586 m 1191 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 431414 m 1334 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 452517 m 1404 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 473115 m 1466 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 64329 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77557 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77685 m 80 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85526 m 107 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107864 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132535 m 257 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149160 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153616 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162965 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 180980 m 421 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204019 m 500 rms 3.07 %NC 46.7 ENERGY -1.92129E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 204407 m 501 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 222574 m 560 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 224037 m 566 rms 2.56 %NC 46.7 ENERGY -1.96118E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 236538 m 600 rms 2.21 %NC 53.3 ENERGY -1.99006E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 241570 m 624 rms 2.22 %NC 53.3 ENERGY -1.99143E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 242886 m 628 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 250353 m 651 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 251428 m 655 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 261369 m 697 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 279156 m 749 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 302111 m 840 rms 3.29 %NC 46.7 ENERGY -1.99728E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 321415 m 910 rms 3.30 %NC 46.7 ENERGY -1.99728E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 330833 m 940 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 338237 m 972 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 340616 m 989 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 363007 m 1076 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 376097 m 1125 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 376321 m 1126 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 385056 m 1162 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 393586 m 1191 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 431414 m 1334 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 452517 m 1404 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 473115 m 1466 rms 3.38 %NC 46.7 ENERGY -2.00135E+02