Saturday, July 06 2024 17:02:27
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 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
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
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
0 size of FG_COMM1 1
Inside initializeInside initializeInside initializeInside initialize MPI: node= 3 iseed= -12238971
MPI: node= 1 iseed= -6119485
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
indpdb= 0 pdbref= F
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= 0 iseed= -3059742
MPI: node= 2 iseed= -9179228
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
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
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
[dell15:88205] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:88205] 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 44.01863002777100
End of minim, proc 3 time 44.01866793632507
End of minim, proc 2 time 44.02114510536194
End of cycle, master time for 33 iters 44.01693391799927
sec, Eval/s 14457.68578941779
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 74.57845902442932
End of minim, proc 1 time 74.57954311370850
End of cycle, master time for 21 iters 27.55104994773865
sec, Eval/s 15144.21413308956
End of minim, proc 2 time 74.58846998214722
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 117.6372618675232
End of minim, proc 1 time 117.6509099006653
End of cycle, master time for 30 iters 40.01881098747253
sec, Eval/s 15172.43978563162
End of minim, proc 2 time 117.6541919708252
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
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End of minim, proc 1 time 154.5162930488586
End of minim, proc 2 time 154.5163331031799
End of minim, proc 3 time 154.5166649818420
End of cycle, master time for 25 iters 33.88211917877197
sec, Eval/s 14868.10778694210
UPDATING 3 4
End of RUN, master time 154.5285809040070 sec, Eval/s
14886.67653933234
CG processor 2 is finishing work.
CG processor 0 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= -200.13485
Emin= -200.13485
Emin= -200.13485
difference .00001 from reference emin -200.13486
difference .00001 from reference emin -200.13486
Emin= -200.13485
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
difference .00001 from reference emin -200.13486
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64583 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 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93704 m 137 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 132118 m 254 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 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161143 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 163998 m 360 rms 2.51 %NC 53.3 ENERGY -1.90304E+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@018.pdb:REMARK GM 18 e 192195 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 194726 m 451 rms 2.51 %NC 46.7 ENERGY -1.94878E+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@020.pdb:REMARK GM 20 e 201540 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+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@021.pdb:REMARK GM 21 e 220577 m 527 rms 2.51 %NC 46.7 ENERGY -1.94880E+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@022.pdb:REMARK GM 22 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64583 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@023.pdb:REMARK GM 23 e 260645 m 648 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 278963 m 721 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 316041 m 832 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 321481 m 848 rms 2.23 %NC 46.7 ENERGY -1.98813E+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 93704 m 137 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@027.pdb:REMARK GM 27 e 355294 m 907 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 393855 m 1031 rms 2.23 %NC 53.3 ENERGY -1.99082E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132118 m 254 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@029.pdb:REMARK GM 29 e 413982 m 1100 rms 2.22 %NC 53.3 ENERGY -1.99086E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 430246 m 1151 rms 2.22 %NC 53.3 ENERGY -1.99086E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 453808 m 1218 rms 2.13 %NC 53.3 ENERGY -1.99554E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161143 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 471917 m 1281 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 163998 m 360 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 488358 m 1332 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 192195 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 194726 m 451 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 563717 m 1612 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 573674 m 1645 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 201540 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 220577 m 527 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 602754 m 1741 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 622903 m 1814 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 260645 m 648 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 278963 m 721 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 628499 m 1835 rms 3.44 %NC 46.7 ENERGY -1.99818E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 658466 m 1941 rms 3.45 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 316041 m 832 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 321481 m 848 rms 2.23 %NC 46.7 ENERGY -1.98813E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 662543 m 1956 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 355294 m 907 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 681605 m 2026 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 393855 m 1031 rms 2.23 %NC 53.3 ENERGY -1.99082E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 749826 m 2084 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 413982 m 1100 rms 2.22 %NC 53.3 ENERGY -1.99086E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 430246 m 1151 rms 2.22 %NC 53.3 ENERGY -1.99086E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 769201 m 2150 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 453808 m 1218 rms 2.13 %NC 53.3 ENERGY -1.99554E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 832628 m 2363 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 471917 m 1281 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 857377 m 2431 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 488358 m 1332 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 862330 m 2442 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 563717 m 1612 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 866159 m 2456 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 573674 m 1645 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 602754 m 1741 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1085928 m 3089 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1143486 m 3274 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 622903 m 1814 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 628499 m 1835 rms 3.44 %NC 46.7 ENERGY -1.99818E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 658466 m 1941 rms 3.45 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 662543 m 1956 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 681605 m 2026 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 749826 m 2084 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 769201 m 2150 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 832628 m 2363 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 857377 m 2431 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 862330 m 2442 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 866159 m 2456 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1085928 m 3089 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1143486 m 3274 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
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 64583 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 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93704 m 137 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 132118 m 254 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 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161143 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 163998 m 360 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 192195 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 194726 m 451 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 201540 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 220577 m 527 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 260645 m 648 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 278963 m 721 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 316041 m 832 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 321481 m 848 rms 2.23 %NC 46.7 ENERGY -1.98813E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 355294 m 907 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 393855 m 1031 rms 2.23 %NC 53.3 ENERGY -1.99082E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 413982 m 1100 rms 2.22 %NC 53.3 ENERGY -1.99086E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 430246 m 1151 rms 2.22 %NC 53.3 ENERGY -1.99086E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 453808 m 1218 rms 2.13 %NC 53.3 ENERGY -1.99554E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 471917 m 1281 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 488358 m 1332 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 563717 m 1612 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 573674 m 1645 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 602754 m 1741 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 622903 m 1814 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 628499 m 1835 rms 3.44 %NC 46.7 ENERGY -1.99818E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 658466 m 1941 rms 3.45 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 662543 m 1956 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 681605 m 2026 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 749826 m 2084 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 769201 m 2150 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 832628 m 2363 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 857377 m 2431 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 862330 m 2442 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 866159 m 2456 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1085928 m 3089 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1143486 m 3274 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 64583 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 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93704 m 137 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 132118 m 254 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 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161143 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 163998 m 360 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 192195 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 194726 m 451 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 201540 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 220577 m 527 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 260645 m 648 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 278963 m 721 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 316041 m 832 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 321481 m 848 rms 2.23 %NC 46.7 ENERGY -1.98813E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 355294 m 907 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 393855 m 1031 rms 2.23 %NC 53.3 ENERGY -1.99082E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 413982 m 1100 rms 2.22 %NC 53.3 ENERGY -1.99086E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 430246 m 1151 rms 2.22 %NC 53.3 ENERGY -1.99086E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 453808 m 1218 rms 2.13 %NC 53.3 ENERGY -1.99554E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 471917 m 1281 rms 2.13 %NC 53.3 ENERGY -1.99555E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 488358 m 1332 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 563717 m 1612 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 573674 m 1645 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 602754 m 1741 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 622903 m 1814 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 628499 m 1835 rms 3.44 %NC 46.7 ENERGY -1.99818E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 658466 m 1941 rms 3.45 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 662543 m 1956 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 681605 m 2026 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 749826 m 2084 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 769201 m 2150 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 832628 m 2363 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 857377 m 2431 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 862330 m 2442 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 866159 m 2456 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1085928 m 3089 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1143486 m 3274 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
