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
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
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= 3 iseed= -12238971
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
MPI: node= 2 iseed= -9179228
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
Call Read_Bridge.
ns= 0
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
[dell15:02856] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:02856] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
UPDATING 100 100
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UPDATING 100 100
End of minim, proc 3 time 49.73212599754333
End of minim, proc 1 time 49.74307894706726
End of cycle, master time for 37 iters 49.81961202621460
sec, Eval/s 14508.32253811351
End of minim, proc 2 time 49.82494306564331
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 91.55978989601135
End of minim, proc 1 time 91.55981397628784
End of cycle, master time for 30 iters 38.76005983352661
sec, Eval/s 15204.90428887912
End of minim, proc 2 time 91.56070804595947
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
UPDATING 100 100
UPDATING 100 100
End of minim, proc 1 time 124.5408837795258
End of minim, proc 3 time 124.5409040451050
End of cycle, master time for 23 iters 29.91020417213440
sec, Eval/s 15178.96693005429
End of minim, proc 2 time 124.5488400459290
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
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UPDATING 100 100
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UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 2 time 152.4943420886993
End of minim, proc 1 time 152.4958949089050
End of minim, proc 3 time 152.4974379539490
End of cycle, master time for 19 iters 24.90510606765747
sec, Eval/s 15105.13542797307
UPDATING 3 4
End of RUN, master time 152.5006840229034 sec, Eval/s
14938.89692755639
CG processor 1 is finishing work.
CG processor 3 is finishing work.
CG processor 2 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= -200.00122
Emin= -200.00122
Emin= -200.00122
Emin= -200.00122
difference .13364 from reference emin -200.13486
difference .13364 from reference emin -200.13486
difference .13364 from reference emin -200.13486
difference .13364 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 85425 m 106 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 134045 m 260 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 153457 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 163161 m 359 rms 2.58 %NC 53.3 ENERGY -1.91065E+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@017.pdb:REMARK GM 17 e 184684 m 430 rms 2.52 %NC 53.3 ENERGY -1.91122E+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@018.pdb:REMARK GM 18 e 184956 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+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@019.pdb:REMARK GM 19 e 210384 m 501 rms 2.86 %NC 53.3 ENERGY -1.96742E+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@020.pdb:REMARK GM 20 e 235286 m 588 rms 2.86 %NC 53.3 ENERGY -1.96742E+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@021.pdb:REMARK GM 21 e 241374 m 609 rms 2.86 %NC 53.3 ENERGY -1.96742E+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@022.pdb:REMARK GM 22 e 253854 m 645 rms 2.28 %NC 46.7 ENERGY -1.96995E+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 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 264205 m 690 rms 2.32 %NC 46.7 ENERGY -1.97713E+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@024.pdb:REMARK GM 24 e 294318 m 793 rms 2.55 %NC 46.7 ENERGY -1.98937E+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@025.pdb:REMARK GM 25 e 313396 m 864 rms 2.55 %NC 46.7 ENERGY -1.98939E+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@026.pdb:REMARK GM 26 e 316743 m 878 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 134045 m 260 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 336108 m 954 rms 2.55 %NC 46.7 ENERGY -1.98940E+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@001.pdb:REMARK GM 1 e 5513 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153457 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+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@028.pdb:REMARK GM 28 e 370303 m 1064 rms 2.13 %NC 53.3 ENERGY -1.99550E+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@015.pdb:REMARK GM 15 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+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@029.pdb:REMARK GM 29 e 382500 m 1108 rms 2.13 %NC 53.3 ENERGY -1.99554E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 163161 m 359 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 389793 m 1122 rms 2.13 %NC 53.3 ENERGY -1.99555E+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@017.pdb:REMARK GM 17 e 184684 m 430 rms 2.52 %NC 53.3 ENERGY -1.91122E+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@031.pdb:REMARK GM 31 e 393466 m 1137 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184956 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 210384 m 501 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 397018 m 1150 rms 2.13 %NC 53.3 ENERGY -1.99556E+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 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 235286 m 588 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 412843 m 1196 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 241374 m 609 rms 2.86 %NC 53.3 ENERGY -1.96742E+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@034.pdb:REMARK GM 34 e 413021 m 1197 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 253854 m 645 rms 2.28 %NC 46.7 ENERGY -1.96995E+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@001.pdb:REMARK GM 1 e 5513 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 416764 m 1211 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 264205 m 690 rms 2.32 %NC 46.7 ENERGY -1.97713E+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@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 417862 m 1222 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 134045 m 260 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 294318 m 793 rms 2.55 %NC 46.7 ENERGY -1.98937E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 457271 m 1344 rms 2.13 %NC 53.3 ENERGY -1.99556E+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@013.pdb:REMARK GM 13 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 313396 m 864 rms 2.55 %NC 46.7 ENERGY -1.98939E+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@026.pdb:REMARK GM 26 e 316743 m 878 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153457 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 477432 m 1409 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 336108 m 954 rms 2.55 %NC 46.7 ENERGY -1.98940E+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@039.pdb:REMARK GM 39 e 574011 m 1754 rms 2.13 %NC 53.3 ENERGY -1.99556E+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@040.pdb:REMARK GM 40 e 697383 m 2182 rms 3.28 %NC 46.7 ENERGY -2.00000E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 163161 m 359 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 370303 m 1064 rms 2.13 %NC 53.3 ENERGY -1.99550E+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@017.pdb:REMARK GM 17 e 184684 m 430 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 382500 m 1108 rms 2.13 %NC 53.3 ENERGY -1.99554E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 723188 m 2287 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184956 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 389793 m 1122 rms 2.13 %NC 53.3 ENERGY -1.99555E+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@031.pdb:REMARK GM 31 e 393466 m 1137 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 730408 m 2314 rms 3.28 %NC 46.7 ENERGY -2.00001E+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@019.pdb:REMARK GM 19 e 210384 m 501 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 767546 m 2450 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 397018 m 1150 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 235286 m 588 rms 2.86 %NC 53.3 ENERGY -1.96742E+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 134045 m 260 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 873306 m 2639 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 412843 m 1196 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 413021 m 1197 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 241374 m 609 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 893459 m 2697 rms 3.28 %NC 46.7 ENERGY -2.00001E+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@022.pdb:REMARK GM 22 e 253854 m 645 rms 2.28 %NC 46.7 ENERGY -1.96995E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153457 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 416764 m 1211 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 264205 m 690 rms 2.32 %NC 46.7 ENERGY -1.97713E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 417862 m 1222 rms 2.13 %NC 53.3 ENERGY -1.99556E+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@024.pdb:REMARK GM 24 e 294318 m 793 rms 2.55 %NC 46.7 ENERGY -1.98937E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 163161 m 359 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 457271 m 1344 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 313396 m 864 rms 2.55 %NC 46.7 ENERGY -1.98939E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 184684 m 430 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 477432 m 1409 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184956 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 316743 m 878 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 574011 m 1754 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 336108 m 954 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 210384 m 501 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 697383 m 2182 rms 3.28 %NC 46.7 ENERGY -2.00000E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 235286 m 588 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 370303 m 1064 rms 2.13 %NC 53.3 ENERGY -1.99550E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 723188 m 2287 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 730408 m 2314 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 382500 m 1108 rms 2.13 %NC 53.3 ENERGY -1.99554E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 241374 m 609 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 767546 m 2450 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 389793 m 1122 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 253854 m 645 rms 2.28 %NC 46.7 ENERGY -1.96995E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 264205 m 690 rms 2.32 %NC 46.7 ENERGY -1.97713E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 393466 m 1137 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 873306 m 2639 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 893459 m 2697 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 294318 m 793 rms 2.55 %NC 46.7 ENERGY -1.98937E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 397018 m 1150 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 313396 m 864 rms 2.55 %NC 46.7 ENERGY -1.98939E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 412843 m 1196 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 413021 m 1197 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 316743 m 878 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 336108 m 954 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 416764 m 1211 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 370303 m 1064 rms 2.13 %NC 53.3 ENERGY -1.99550E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 417862 m 1222 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 382500 m 1108 rms 2.13 %NC 53.3 ENERGY -1.99554E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 457271 m 1344 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 389793 m 1122 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 477432 m 1409 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 393466 m 1137 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 574011 m 1754 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 397018 m 1150 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 412843 m 1196 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 697383 m 2182 rms 3.28 %NC 46.7 ENERGY -2.00000E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 413021 m 1197 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 723188 m 2287 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 730408 m 2314 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 416764 m 1211 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 767546 m 2450 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 417862 m 1222 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 457271 m 1344 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 873306 m 2639 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 893459 m 2697 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 477432 m 1409 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 574011 m 1754 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 697383 m 2182 rms 3.28 %NC 46.7 ENERGY -2.00000E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 723188 m 2287 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 730408 m 2314 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 767546 m 2450 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 873306 m 2639 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 893459 m 2697 rms 3.28 %NC 46.7 ENERGY -2.00001E+02