Friday, September 20 2024 11:27:04
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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 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 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 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= 2 iseed= -9179228
MPI: node= 0 iseed= -3059742
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
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 1 0 0 ivec_start 1
ivec_end 21
Processor 3 0 0 ivec_start 1
ivec_end 21
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
[dell15:14271] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:14271] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
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End of minim, proc 1 time 44.98094511032104
End of minim, proc 3 time 44.98375391960144
End of cycle, master time for 33 iters 44.98158478736877
sec, Eval/s 14306.09888562005
End of minim, proc 2 time 44.98550415039063
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 86.51014494895935
End of minim, proc 1 time 86.51018309593201
End of minim, proc 3 time 86.51020288467407
End of cycle, master time for 29 iters 38.53920507431030
sec, Eval/s 15036.09114102544
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 118.4320538043976
End of minim, proc 2 time 118.4370300769806
End of cycle, master time for 21 iters 28.85111594200134
sec, Eval/s 14775.89292757278
End of minim, proc 1 time 118.4372940063477
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 156.2647588253021
End of minim, proc 1 time 156.2676970958710
End of minim, proc 2 time 156.2735159397125
End of cycle, master time for 26 iters 34.83181405067444
sec, Eval/s 14928.62241522938
UPDATING 3 4
End of RUN, master time 156.2781529426575 sec, Eval/s
14750.18072964948
CG processor 3 is finishing work.
CG processor 1 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= -200.13482
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 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 77537 m 79 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 85227 m 105 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 107822 m 189 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 133307 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149403 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153616 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162459 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 180738 m 420 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 203883 m 500 rms 3.07 %NC 46.7 ENERGY -1.92129E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204407 m 501 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 222382 m 559 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 223613 m 564 rms 2.56 %NC 46.7 ENERGY -1.96118E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 236511 m 600 rms 2.21 %NC 53.3 ENERGY -1.99006E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 241399 m 624 rms 2.22 %NC 53.3 ENERGY -1.99143E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 242567 m 627 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 250089 m 651 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 251401 m 655 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 261127 m 696 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 279203 m 749 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 302073 m 840 rms 3.29 %NC 46.7 ENERGY -1.99728E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 321261 m 909 rms 3.30 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 331506 m 941 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 334390 m 954 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 337993 m 971 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 340842 m 991 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 363299 m 1077 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 375976 m 1125 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 385020 m 1162 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 393361 m 1192 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 424865 m 1306 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 451683 m 1403 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 472135 m 1466 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 491015 m 1545 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 2035197 m 5641 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 77537 m 79 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 85227 m 105 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 107822 m 189 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 133307 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149403 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153616 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162459 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 180738 m 420 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 203883 m 500 rms 3.07 %NC 46.7 ENERGY -1.92129E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204407 m 501 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 222382 m 559 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 223613 m 564 rms 2.56 %NC 46.7 ENERGY -1.96118E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 236511 m 600 rms 2.21 %NC 53.3 ENERGY -1.99006E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 241399 m 624 rms 2.22 %NC 53.3 ENERGY -1.99143E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 242567 m 627 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 250089 m 651 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 251401 m 655 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 261127 m 696 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 279203 m 749 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 302073 m 840 rms 3.29 %NC 46.7 ENERGY -1.99728E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 321261 m 909 rms 3.30 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 331506 m 941 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 334390 m 954 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 337993 m 971 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 340842 m 991 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 363299 m 1077 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 375976 m 1125 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 385020 m 1162 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 393361 m 1192 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 424865 m 1306 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 451683 m 1403 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 472135 m 1466 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 491015 m 1545 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 2035197 m 5641 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 77537 m 79 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 85227 m 105 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 107822 m 189 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 133307 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149403 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153616 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162459 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 180738 m 420 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 203883 m 500 rms 3.07 %NC 46.7 ENERGY -1.92129E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204407 m 501 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 222382 m 559 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 223613 m 564 rms 2.56 %NC 46.7 ENERGY -1.96118E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 236511 m 600 rms 2.21 %NC 53.3 ENERGY -1.99006E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 241399 m 624 rms 2.22 %NC 53.3 ENERGY -1.99143E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 242567 m 627 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 250089 m 651 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 251401 m 655 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 261127 m 696 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 279203 m 749 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 302073 m 840 rms 3.29 %NC 46.7 ENERGY -1.99728E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 321261 m 909 rms 3.30 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 331506 m 941 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 334390 m 954 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 337993 m 971 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 340842 m 991 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 363299 m 1077 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 375976 m 1125 rms 3.39 %NC 46.7 ENERGY -2.00134E+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@037.pdb:REMARK GM 37 e 385020 m 1162 rms 3.39 %NC 46.7 ENERGY -2.00135E+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@038.pdb:REMARK GM 38 e 393361 m 1192 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 424865 m 1306 rms 3.38 %NC 46.7 ENERGY -2.00135E+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@040.pdb:REMARK GM 40 e 451683 m 1403 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 472135 m 1466 rms 3.38 %NC 46.7 ENERGY -2.00135E+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 77537 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 491015 m 1545 rms 3.38 %NC 46.7 ENERGY -2.00135E+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@043.pdb:REMARK GM 43 e 2035197 m 5641 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 85227 m 105 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 107822 m 189 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 133307 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149403 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153616 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162459 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 180738 m 420 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 203883 m 500 rms 3.07 %NC 46.7 ENERGY -1.92129E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204407 m 501 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 222382 m 559 rms 3.01 %NC 46.7 ENERGY -1.96003E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 223613 m 564 rms 2.56 %NC 46.7 ENERGY -1.96118E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 236511 m 600 rms 2.21 %NC 53.3 ENERGY -1.99006E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 241399 m 624 rms 2.22 %NC 53.3 ENERGY -1.99143E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 242567 m 627 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 250089 m 651 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 251401 m 655 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 261127 m 696 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 279203 m 749 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 302073 m 840 rms 3.29 %NC 46.7 ENERGY -1.99728E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 321261 m 909 rms 3.30 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 331506 m 941 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 334390 m 954 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 337993 m 971 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 340842 m 991 rms 3.29 %NC 46.7 ENERGY -1.99729E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 363299 m 1077 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 375976 m 1125 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 385020 m 1162 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 393361 m 1192 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 424865 m 1306 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 451683 m 1403 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 472135 m 1466 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 491015 m 1545 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 2035197 m 5641 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
