Wednesday, May 01 2024 18:35:02
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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 2 out of 4 rank in CG_COMM 2
Processor 0 out of 4 rank in CG_COMM 0
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
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 initializeInside initialize MPI: node= 3 iseed= -12238971
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 3 0 0 ivec_start 1
ivec_end 21
MPI: node= 1 iseed= -6119485
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
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.
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
[dell15:105790] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:105790] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
UPDATING 97 97
UPDATING 100 100
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End of minim, proc 1 time 47.53154492378235
End of minim, proc 3 time 47.53156280517578
End of cycle, master time for 35 iters 47.52884483337402
sec, Eval/s 14264.26420370192
End of minim, proc 2 time 47.53607106208801
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 84.50976800918579
End of minim, proc 3 time 84.50980186462402
End of cycle, master time for 26 iters 33.99653077125549
sec, Eval/s 15187.43201987408
End of minim, proc 1 time 84.51198911666870
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 115.4423549175262
End of cycle, master time for 21 iters 27.86403179168701
End of minim, proc 2 time 115.4423990249634
sec, Eval/s 15066.01783756375
End of minim, proc 1 time 115.4424059391022
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
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UPDATING 100 100
End of minim, proc 3 time 154.6217019557953
End of minim, proc 2 time 154.6288080215454
End of cycle, master time for 27 iters 36.01899194717407
sec, Eval/s 15152.75610157159
End of minim, proc 1 time 154.6313800811768
UPDATING 3 4
End of RUN, master time 154.6327228546143 sec, Eval/s
14846.27546886332
CG processor 0 is finishing work.
CG processor 1 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= -200.13487
Emin= -200.13487
Emin= -200.13487
Emin= -200.13487
difference .00001 from reference emin -200.13486
difference .00001 from reference emin -200.13486
difference .00001 from reference emin -200.13486
difference .00001 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 19250 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64906 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 85227 m 105 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 107314 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132477 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 134009 m 259 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149586 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154022 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161766 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162226 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 181587 m 421 rms 2.58 %NC 53.3 ENERGY -1.91066E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 181897 m 422 rms 2.91 %NC 46.7 ENERGY -1.91527E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 201933 m 487 rms 3.00 %NC 46.7 ENERGY -1.93182E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 230095 m 576 rms 2.91 %NC 46.7 ENERGY -1.95355E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 243369 m 620 rms 2.48 %NC 46.7 ENERGY -1.98233E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 272194 m 697 rms 2.55 %NC 46.7 ENERGY -1.99071E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 298036 m 773 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 299077 m 784 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 330610 m 890 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 335753 m 911 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 354723 m 972 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 360003 m 985 rms 2.13 %NC 53.3 ENERGY -1.99551E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 375802 m 1041 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 386594 m 1067 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 390248 m 1077 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 394117 m 1090 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 413451 m 1172 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 530752 m 1577 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 607435 m 1825 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 849810 m 2483 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 1022000 m 3053 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 1043418 m 3126 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 1050140 m 3155 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1265296 m 3840 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1284299 m 3892 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1352553 m 3946 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 1372078 m 4001 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 19250 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64906 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 85227 m 105 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 107314 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132477 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 134009 m 259 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149586 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154022 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161766 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162226 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 181587 m 421 rms 2.58 %NC 53.3 ENERGY -1.91066E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 181897 m 422 rms 2.91 %NC 46.7 ENERGY -1.91527E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 201933 m 487 rms 3.00 %NC 46.7 ENERGY -1.93182E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 230095 m 576 rms 2.91 %NC 46.7 ENERGY -1.95355E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 243369 m 620 rms 2.48 %NC 46.7 ENERGY -1.98233E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 272194 m 697 rms 2.55 %NC 46.7 ENERGY -1.99071E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 298036 m 773 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 299077 m 784 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 330610 m 890 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 335753 m 911 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 354723 m 972 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 360003 m 985 rms 2.13 %NC 53.3 ENERGY -1.99551E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 375802 m 1041 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 386594 m 1067 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 390248 m 1077 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 394117 m 1090 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 413451 m 1172 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 530752 m 1577 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 607435 m 1825 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 849810 m 2483 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 1022000 m 3053 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 1043418 m 3126 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 1050140 m 3155 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1265296 m 3840 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1284299 m 3892 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1352553 m 3946 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 1372078 m 4001 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 19250 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64906 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 85227 m 105 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 107314 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132477 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 134009 m 259 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149586 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154022 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161766 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162226 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 181587 m 421 rms 2.58 %NC 53.3 ENERGY -1.91066E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 181897 m 422 rms 2.91 %NC 46.7 ENERGY -1.91527E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 201933 m 487 rms 3.00 %NC 46.7 ENERGY -1.93182E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 230095 m 576 rms 2.91 %NC 46.7 ENERGY -1.95355E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 243369 m 620 rms 2.48 %NC 46.7 ENERGY -1.98233E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 272194 m 697 rms 2.55 %NC 46.7 ENERGY -1.99071E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 298036 m 773 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 299077 m 784 rms 2.55 %NC 46.7 ENERGY -1.99072E+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@026.pdb:REMARK GM 26 e 330610 m 890 rms 2.55 %NC 46.7 ENERGY -1.99072E+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@027.pdb:REMARK GM 27 e 335753 m 911 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19250 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 354723 m 972 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 360003 m 985 rms 2.13 %NC 53.3 ENERGY -1.99551E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 375802 m 1041 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64906 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 386594 m 1067 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 390248 m 1077 rms 2.13 %NC 53.3 ENERGY -1.99556E+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@033.pdb:REMARK GM 33 e 394117 m 1090 rms 2.13 %NC 53.3 ENERGY -1.99556E+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@034.pdb:REMARK GM 34 e 413451 m 1172 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 530752 m 1577 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85227 m 105 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 607435 m 1825 rms 2.13 %NC 53.3 ENERGY -1.99556E+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@037.pdb:REMARK GM 37 e 849810 m 2483 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107314 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 1022000 m 3053 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 1043418 m 3126 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132477 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 1050140 m 3155 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 134009 m 259 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1265296 m 3840 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149586 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1284299 m 3892 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1352553 m 3946 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154022 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 1372078 m 4001 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161766 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162226 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 181587 m 421 rms 2.58 %NC 53.3 ENERGY -1.91066E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 181897 m 422 rms 2.91 %NC 46.7 ENERGY -1.91527E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 201933 m 487 rms 3.00 %NC 46.7 ENERGY -1.93182E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 230095 m 576 rms 2.91 %NC 46.7 ENERGY -1.95355E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 243369 m 620 rms 2.48 %NC 46.7 ENERGY -1.98233E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 272194 m 697 rms 2.55 %NC 46.7 ENERGY -1.99071E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 298036 m 773 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 299077 m 784 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 330610 m 890 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 335753 m 911 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 354723 m 972 rms 2.55 %NC 46.7 ENERGY -1.99072E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 360003 m 985 rms 2.13 %NC 53.3 ENERGY -1.99551E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 375802 m 1041 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 386594 m 1067 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 390248 m 1077 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 394117 m 1090 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 413451 m 1172 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 530752 m 1577 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 607435 m 1825 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 849810 m 2483 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 1022000 m 3053 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 1043418 m 3126 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 1050140 m 3155 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1265296 m 3840 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1284299 m 3892 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1352553 m 3946 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 1372078 m 4001 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
