Thursday, September 19 2024 00:48:02
UNRES
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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 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 0 out of 4 rank in CG_COMM 0
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
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
0 size of FG_COMM1 1
Inside initializeInside initializeInside initialize 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 initialize MPI: node= 2 iseed= -9179228
MPI: node= 0 iseed= -3059742
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
MPI: node= 1 iseed= -6119485
MPI: node= 3 iseed= -12238971
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 3 0 0 ivec_start 1
ivec_end 21
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
[dell15:61264] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:61264] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
UPDATING 97 97
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End of minim, proc 2 time 57.86880302429199
End of minim, proc 1 time 57.86879301071167
End of cycle, master time for 33 iters 57.86166286468506
sec, Eval/s 11142.93935014979
End of minim, proc 3 time 57.86883997917175
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
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End of minim, proc 3 time 105.6549940109253
End of minim, proc 2 time 105.6550259590149
End of cycle, master time for 21 iters 43.57239413261414
sec, Eval/s 9387.228040651631
End of minim, proc 1 time 105.6638870239258
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
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End of minim, proc 3 time 157.3962600231171
End of minim, proc 1 time 157.3962841033936
End of minim, proc 2 time 157.4220180511475
End of cycle, master time for 21 iters 46.81441307067871
sec, Eval/s 9399.007082192620
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 222.7362620830536
End of minim, proc 3 time 222.7407970428467
End of cycle, master time for 28 iters 60.55674695968628
sec, Eval/s 9324.146826709351
End of minim, proc 1 time 222.7711260318756
UPDATING 3 4
End of RUN, master time 222.7729887962341 sec, Eval/s
9849.807249329740
CG processor 0 is finishing work.
CG processor 2 is finishing work.
CG processor 1 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= -200.00125
Emin= -200.00125
Emin= -200.00125
Emin= -200.00125
difference .13361 from reference emin -200.13486
difference .13361 from reference emin -200.13486
difference .13361 from reference emin -200.13486
difference .13361 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 65065 m 51 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77355 m 77 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 85425 m 106 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 107822 m 189 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 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154108 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162459 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184301 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184694 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 210449 m 501 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226658 m 561 rms 2.86 %NC 53.3 ENERGY -1.96742E+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@022.pdb:REMARK GM 22 e 239282 m 600 rms 2.86 %NC 53.3 ENERGY -1.96742E+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@023.pdb:REMARK GM 23 e 239726 m 601 rms 2.13 %NC 53.3 ENERGY -1.99552E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 249639 m 639 rms 2.13 %NC 53.3 ENERGY -1.99555E+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@025.pdb:REMARK GM 25 e 255594 m 657 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 65065 m 51 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 275232 m 734 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77355 m 77 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 275771 m 737 rms 2.13 %NC 53.3 ENERGY -1.99556E+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@028.pdb:REMARK GM 28 e 280839 m 762 rms 2.13 %NC 53.3 ENERGY -1.99556E+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@029.pdb:REMARK GM 29 e 294850 m 802 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85425 m 106 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 107822 m 189 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 300436 m 824 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 360837 m 1013 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 461319 m 1382 rms 2.13 %NC 53.3 ENERGY -1.99556E+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@033.pdb:REMARK GM 33 e 466769 m 1403 rms 3.28 %NC 46.7 ENERGY -2.00001E+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@034.pdb:REMARK GM 34 e 498527 m 1514 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154108 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 517509 m 1585 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 535698 m 1652 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 554122 m 1716 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162459 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184301 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 671717 m 2148 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184694 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 210449 m 501 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226658 m 561 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 239282 m 600 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 239726 m 601 rms 2.13 %NC 53.3 ENERGY -1.99552E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 249639 m 639 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 255594 m 657 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 275232 m 734 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 275771 m 737 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 280839 m 762 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 294850 m 802 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 300436 m 824 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 360837 m 1013 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 461319 m 1382 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 466769 m 1403 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 498527 m 1514 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 517509 m 1585 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 535698 m 1652 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 554122 m 1716 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 671717 m 2148 rms 3.28 %NC 46.7 ENERGY -2.00001E+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@001.pdb:REMARK GM 1 e 5513 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+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@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 65065 m 51 rms 2.46 %NC 46.7 ENERGY -1.87972E+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@006.pdb:REMARK GM 6 e 77355 m 77 rms 2.46 %NC 46.7 ENERGY -1.87972E+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 65065 m 51 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@006.pdb:REMARK GM 6 e 77355 m 77 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+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@010.pdb:REMARK GM 10 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107822 m 189 rms 2.62 %NC 46.7 ENERGY -1.88657E+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@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 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107822 m 189 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154108 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162459 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184301 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184694 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 210449 m 501 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226658 m 561 rms 2.86 %NC 53.3 ENERGY -1.96742E+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 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 239282 m 600 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 239726 m 601 rms 2.13 %NC 53.3 ENERGY -1.99552E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 249639 m 639 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 255594 m 657 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154108 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 275232 m 734 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 275771 m 737 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162459 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 280839 m 762 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 294850 m 802 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 300436 m 824 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 360837 m 1013 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184301 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184694 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 461319 m 1382 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 466769 m 1403 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 498527 m 1514 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 517509 m 1585 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 535698 m 1652 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 210449 m 501 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226658 m 561 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 239282 m 600 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 554122 m 1716 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 671717 m 2148 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 239726 m 601 rms 2.13 %NC 53.3 ENERGY -1.99552E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 249639 m 639 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 255594 m 657 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 275232 m 734 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 275771 m 737 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 280839 m 762 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 294850 m 802 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 300436 m 824 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 360837 m 1013 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 461319 m 1382 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 466769 m 1403 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 498527 m 1514 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 517509 m 1585 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 535698 m 1652 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 554122 m 1716 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 671717 m 2148 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
