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 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 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
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= 1 iseed= -6119485
MPI: node= 0 iseed= -3059742
MPI: node= 2 iseed= -9179228
MPI: node= 3 iseed= -12238971
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 1 0 0 ivec_start 1
ivec_end 21
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 0 0 0 ivec_start 1
ivec_end 21
Processor 2 0 0 ivec_start 1
ivec_end 21
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 3 0 0 ivec_start 1
ivec_end 21
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
[dell15:126772] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:126772] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
UPDATING 97 97
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
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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
End of minim, proc 3 time 37.79177689552307
End of minim, proc 1 time 37.80480599403381
End of cycle, master time for 27 iters 37.80148196220398
sec, Eval/s 13715.36175535092
End of minim, proc 2 time 37.80547308921814
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 73.46607995033264
End of minim, proc 2 time 73.46610808372498
End of cycle, master time for 25 iters 32.68767619132996
sec, Eval/s 15227.42078961313
End of minim, proc 1 time 73.46612095832825
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
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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
End of minim, proc 3 time 104.4043040275574
End of minim, proc 1 time 104.4154529571533
End of cycle, master time for 21 iters 27.91607308387756
sec, Eval/s 15208.87263492673
End of minim, proc 2 time 104.4167051315308
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
End of minim, proc 2 time 148.2675170898438
End of minim, proc 3 time 148.2726678848267
End of cycle, master time for 31 iters 40.89325714111328
sec, Eval/s 15059.71994049957
End of minim, proc 1 time 148.2905471324921
UPDATING 3 4
End of RUN, master time 148.2952439785004 sec, Eval/s
14784.50650998532
CG processor 1 is finishing work.
CG processor 0 is finishing work.
CG processor 2 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= -200.13482
Emin= -200.13482
Emin= -200.13482
Emin= -200.13482
difference .00004 from reference emin -200.13486
difference .00004 from reference emin -200.13486
difference .00004 from reference emin -200.13486
difference .00004 from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4984 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 52738 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64706 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77615 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80866 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 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 134045 m 260 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4984 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+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@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+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 52738 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184673 m 430 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64706 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77615 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80866 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 209634 m 499 rms 2.86 %NC 53.3 ENERGY -1.96742E+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@021.pdb:REMARK GM 21 e 235428 m 588 rms 2.86 %NC 53.3 ENERGY -1.96742E+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@022.pdb:REMARK GM 22 e 241687 m 611 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 255608 m 654 rms 2.13 %NC 53.3 ENERGY -1.99551E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 134045 m 260 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 262752 m 688 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 270959 m 717 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153904 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@026.pdb:REMARK GM 26 e 277857 m 748 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 316305 m 883 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184673 m 430 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 377719 m 1089 rms 3.28 %NC 46.7 ENERGY -1.99800E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 209634 m 499 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 402817 m 1169 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 235428 m 588 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 430355 m 1259 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 241687 m 611 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 255608 m 654 rms 2.13 %NC 53.3 ENERGY -1.99551E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 448595 m 1325 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 262752 m 688 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 477885 m 1429 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 270959 m 717 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 277857 m 748 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 492970 m 1491 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 316305 m 883 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 504449 m 1510 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 377719 m 1089 rms 3.28 %NC 46.7 ENERGY -1.99800E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 508000 m 1524 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 402817 m 1169 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 430355 m 1259 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 546162 m 1638 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 448595 m 1325 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 628954 m 1769 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 477885 m 1429 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 671699 m 1875 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 492970 m 1491 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 504449 m 1510 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 1672554 m 4393 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 508000 m 1524 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 1700210 m 4462 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 546162 m 1638 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 628954 m 1769 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1704194 m 4474 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 671699 m 1875 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 1672554 m 4393 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1726241 m 4542 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 1700210 m 4462 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1704194 m 4474 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1765516 m 4652 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1726241 m 4542 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 2237109 m 5888 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1765516 m 4652 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 2237109 m 5888 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4984 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 52738 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64706 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77615 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80866 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 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 134045 m 260 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153904 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 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184673 m 430 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 209634 m 499 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 235428 m 588 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 241687 m 611 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 255608 m 654 rms 2.13 %NC 53.3 ENERGY -1.99551E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 262752 m 688 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 270959 m 717 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 277857 m 748 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 316305 m 883 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 377719 m 1089 rms 3.28 %NC 46.7 ENERGY -1.99800E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 402817 m 1169 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 430355 m 1259 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 448595 m 1325 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 477885 m 1429 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 492970 m 1491 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 504449 m 1510 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 508000 m 1524 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 546162 m 1638 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 628954 m 1769 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 671699 m 1875 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 1672554 m 4393 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 1700210 m 4462 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1704194 m 4474 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1726241 m 4542 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1765516 m 4652 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 2237109 m 5888 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4984 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 52738 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64706 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77615 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80866 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 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 134045 m 260 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153904 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 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184673 m 430 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 209634 m 499 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 235428 m 588 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 241687 m 611 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 255608 m 654 rms 2.13 %NC 53.3 ENERGY -1.99551E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 262752 m 688 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 270959 m 717 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 277857 m 748 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 316305 m 883 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 377719 m 1089 rms 3.28 %NC 46.7 ENERGY -1.99800E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 402817 m 1169 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 430355 m 1259 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 448595 m 1325 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 477885 m 1429 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 492970 m 1491 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 504449 m 1510 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 508000 m 1524 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 546162 m 1638 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 628954 m 1769 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 671699 m 1875 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 1672554 m 4393 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 1700210 m 4462 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1704194 m 4474 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1726241 m 4542 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1765516 m 4652 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 2237109 m 5888 rms 3.38 %NC 46.7 ENERGY -2.00135E+02