Sunday, October 06 2024 13:46:53
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CTEST_FULL_OUTPUT
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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 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
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
0 size of FG_COMM1 1
Inside initializeInside initializeInside initialize 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
Inside initialize MPI: node= 1 iseed= -6119485
MPI: node= 3 iseed= -12238971
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
Call Read_Bridge.
ns= 0
ns= 0
Processor 1 0 0 ivec_start 1
ivec_end 21
Processor 3 0 0 ivec_start 1
ivec_end 21
MPI: node= 2 iseed= -9179228
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 2 0 0 ivec_start 1
ivec_end 21
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 0 0 0 ivec_start 1
ivec_end 21
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
[dell15:149528] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:149528] 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 75.21531200408936
End of minim, proc 1 time 75.21536087989807
End of cycle, master time for 43 iters 75.20822405815125
sec, Eval/s 11253.82244560882
UPDATING 3 4
End of minim, proc 3 time 75.21535992622375
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
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End of minim, proc 3 time 128.2294440269470
End of minim, proc 1 time 128.2294869422913
End of minim, proc 2 time 128.2484700679779
End of cycle, master time for 33 iters 49.20483398437500
sec, Eval/s 13240.28448519671
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
End of minim, proc 1 time 134.8225598335266
End of minim, proc 3 time 134.8225979804993
End of cycle, master time for 2 iters 3.091969013214111
End of minim, proc 2 time 134.8227360248566
sec, Eval/s 13325.81271801600
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 184.9413988590240
End of minim, proc 3 time 184.9425580501556
End of minim, proc 2 time 184.9486989974976
End of cycle, master time for 31 iters 46.68378496170044
sec, Eval/s 13309.22504483596
UPDATING 3 4
End of RUN, master time 184.9585750102997 sec, Eval/s
12414.90425557253
CG processor 2 is finishing work.
CG processor 1 is finishing work.
CG processor 0 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= -200.13475
Emin= -200.13475
Emin= -200.13475
Emin= -200.13475
difference .00011 from reference emin -200.13486
difference .00011 from reference emin -200.13486
difference .00011 from reference emin -200.13486
difference .00011 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 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 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85392 m 107 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 85596 m 108 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 93282 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 107666 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 149678 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 162827 m 357 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 185151 m 432 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 204127 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 208165 m 494 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 226308 m 561 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 231824 m 574 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 234329 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 240969 m 609 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 260343 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 299695 m 809 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 305533 m 825 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 306984 m 831 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 322233 m 883 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 335558 m 923 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 344863 m 956 rms 2.92 %NC 46.7 ENERGY -1.92727E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 353610 m 981 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 371229 m 1038 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 373233 m 1046 rms 2.51 %NC 46.7 ENERGY -1.98806E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 381816 m 1078 rms 2.22 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 382123 m 1079 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 393285 m 1103 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 402728 m 1137 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 435693 m 1239 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 443952 m 1262 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 499620 m 1461 rms 2.13 %NC 53.3 ENERGY -1.99551E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 502390 m 1479 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 512049 m 1506 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 516777 m 1520 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 520977 m 1536 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 526222 m 1556 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 539178 m 1609 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 694027 m 2150 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 715702 m 2223 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 746482 m 2321 rms 3.32 %NC 46.7 ENERGY -1.99989E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 771206 m 2397 rms 3.33 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 774512 m 2412 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 794474 m 2486 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 832953 m 2614 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e 891226 m 2823 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@058.pdb:REMARK GM 58 e 956812 m 2884 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e 995743 m 3014 rms 3.28 %NC 46.7 ENERGY -2.00001E+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@060.pdb:REMARK GM 60 e 1071490 m 3285 rms 3.28 %NC 46.7 ENERGY -2.00001E+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@061.pdb:REMARK GM 61 e 2020982 m 5793 rms 3.38 %NC 46.7 ENERGY -2.00133E+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@062.pdb:REMARK GM 62 e 2051916 m 5886 rms 3.38 %NC 46.7 ENERGY -2.00134E+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@063.pdb:REMARK GM 63 e 2054562 m 5900 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85392 m 107 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 85596 m 108 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 93282 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 107666 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 149678 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 162827 m 357 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 185151 m 432 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 204127 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 208165 m 494 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 226308 m 561 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 231824 m 574 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 234329 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 240969 m 609 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 260343 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 299695 m 809 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 305533 m 825 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 306984 m 831 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 322233 m 883 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 335558 m 923 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 344863 m 956 rms 2.92 %NC 46.7 ENERGY -1.92727E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 353610 m 981 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 371229 m 1038 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 373233 m 1046 rms 2.51 %NC 46.7 ENERGY -1.98806E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 381816 m 1078 rms 2.22 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 382123 m 1079 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 393285 m 1103 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 402728 m 1137 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 435693 m 1239 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 443952 m 1262 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 499620 m 1461 rms 2.13 %NC 53.3 ENERGY -1.99551E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 502390 m 1479 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 512049 m 1506 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 516777 m 1520 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 520977 m 1536 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 526222 m 1556 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 539178 m 1609 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 694027 m 2150 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 715702 m 2223 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 746482 m 2321 rms 3.32 %NC 46.7 ENERGY -1.99989E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 771206 m 2397 rms 3.33 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 774512 m 2412 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 794474 m 2486 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 832953 m 2614 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e 891226 m 2823 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e 956812 m 2884 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e 995743 m 3014 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e 1071490 m 3285 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@061.pdb:REMARK GM 61 e 2020982 m 5793 rms 3.38 %NC 46.7 ENERGY -2.00133E+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@062.pdb:REMARK GM 62 e 2051916 m 5886 rms 3.38 %NC 46.7 ENERGY -2.00134E+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@063.pdb:REMARK GM 63 e 2054562 m 5900 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@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 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 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85392 m 107 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 85596 m 108 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 93282 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 107666 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+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@015.pdb:REMARK GM 15 e 149678 m 306 rms 2.33 %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@016.pdb:REMARK GM 16 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+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@017.pdb:REMARK GM 17 e 161523 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@018.pdb:REMARK GM 18 e 162827 m 357 rms 2.58 %NC 53.3 ENERGY -1.91065E+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@019.pdb:REMARK GM 19 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+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@020.pdb:REMARK GM 20 e 185151 m 432 rms 2.56 %NC 46.7 ENERGY -1.91440E+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@021.pdb:REMARK GM 21 e 204127 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+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@022.pdb:REMARK GM 22 e 208165 m 494 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85392 m 107 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 85596 m 108 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 93282 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 107666 m 188 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 226308 m 561 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 231824 m 574 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 234329 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 240969 m 609 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 260343 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 149678 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 299695 m 809 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 305533 m 825 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 306984 m 831 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 322233 m 883 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 162827 m 357 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 185151 m 432 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 335558 m 923 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 204127 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 344863 m 956 rms 2.92 %NC 46.7 ENERGY -1.92727E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 208165 m 494 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 353610 m 981 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 226308 m 561 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 231824 m 574 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 371229 m 1038 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 373233 m 1046 rms 2.51 %NC 46.7 ENERGY -1.98806E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 234329 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 381816 m 1078 rms 2.22 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 240969 m 609 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 382123 m 1079 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 260343 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 299695 m 809 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 393285 m 1103 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 402728 m 1137 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 305533 m 825 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 435693 m 1239 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 306984 m 831 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 443952 m 1262 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 322233 m 883 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 499620 m 1461 rms 2.13 %NC 53.3 ENERGY -1.99551E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 335558 m 923 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 502390 m 1479 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 344863 m 956 rms 2.92 %NC 46.7 ENERGY -1.92727E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 353610 m 981 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 512049 m 1506 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 371229 m 1038 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 373233 m 1046 rms 2.51 %NC 46.7 ENERGY -1.98806E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 381816 m 1078 rms 2.22 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 516777 m 1520 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 520977 m 1536 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 526222 m 1556 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 382123 m 1079 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 539178 m 1609 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 393285 m 1103 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 694027 m 2150 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 402728 m 1137 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 715702 m 2223 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 435693 m 1239 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 746482 m 2321 rms 3.32 %NC 46.7 ENERGY -1.99989E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 443952 m 1262 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 771206 m 2397 rms 3.33 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 499620 m 1461 rms 2.13 %NC 53.3 ENERGY -1.99551E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 774512 m 2412 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 502390 m 1479 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 794474 m 2486 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 512049 m 1506 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 832953 m 2614 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 516777 m 1520 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e 891226 m 2823 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 520977 m 1536 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e 956812 m 2884 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 526222 m 1556 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e 995743 m 3014 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 539178 m 1609 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e 1071490 m 3285 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 694027 m 2150 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@061.pdb:REMARK GM 61 e 2020982 m 5793 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 715702 m 2223 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@062.pdb:REMARK GM 62 e 2051916 m 5886 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 746482 m 2321 rms 3.32 %NC 46.7 ENERGY -1.99989E+02
1l2y_csa_local_4P@063.pdb:REMARK GM 63 e 2054562 m 5900 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 771206 m 2397 rms 3.33 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 774512 m 2412 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 794474 m 2486 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 832953 m 2614 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e 891226 m 2823 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e 956812 m 2884 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e 995743 m 3014 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e 1071490 m 3285 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@061.pdb:REMARK GM 61 e 2020982 m 5793 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@062.pdb:REMARK GM 62 e 2051916 m 5886 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@063.pdb:REMARK GM 63 e 2054562 m 5900 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
