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 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 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 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 initializeInside initialize 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
Inside initialize 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= 0 iseed= -3059742
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 0 0 0 ivec_start 1
ivec_end 21
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= 2 iseed= -9179228
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 2 0 0 ivec_start 1
ivec_end 21
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
[dell15:99125] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:99125] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
UPDATING 100 100
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UPDATING 100 100
End of minim, proc 2 time 44.03445100784302
End of minim, proc 3 time 44.03456306457520
End of cycle, master time for 33 iters 44.04223990440369
sec, Eval/s 14808.62466158965
End of minim, proc 1 time 44.04692292213440
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
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UPDATING 100 100
End of cycle, master time for 29 iters 38.45481085777283
sec, Eval/s 14839.39167222964
UPDATING 3 4
End of minim, proc 3 time 85.54501104354858
End of minim, proc 2 time 85.54504394531250
End of minim, proc 1 time 85.54502797126770
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
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UPDATING 100 100
End of cycle, master time for 21 iters 27.89878201484680
sec, Eval/s 14882.40596951666
End of minim, proc 1 time 116.5621581077576
End of minim, proc 2 time 116.5622179508209
UPDATING 3 4
End of minim, proc 3 time 116.5621929168701
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
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UPDATING 100 100
UPDATING 100 100
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UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 2 time 153.2542150020599
End of minim, proc 1 time 153.2542510032654
End of minim, proc 3 time 153.2585499286652
End of cycle, master time for 26 iters 33.68723511695862
sec, Eval/s 15110.76816582499
UPDATING 3 4
End of RUN, master time 153.2629938125610 sec, Eval/s
14895.57879048097
CG processor 0 is finishing work.
CG processor 2 is finishing work.
CG processor 3 is finishing work.
CG processor 1 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= -200.13479
Emin= -200.13479
Emin= -200.13479
Emin= -200.13479
difference .00007 from reference emin -200.13486
difference .00007 from reference emin -200.13486
difference .00007 from reference emin -200.13486
difference .00007 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 64329 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77467 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 80866 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 85526 m 107 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 107480 m 187 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 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153678 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162827 m 357 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 184433 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184956 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204392 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 207403 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226719 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 232210 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234793 m 583 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 241014 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 260559 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 299813 m 809 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 305693 m 826 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 306636 m 830 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 322569 m 884 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 335476 m 923 rms 2.22 %NC 53.3 ENERGY -1.92180E+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@031.pdb:REMARK GM 31 e 343627 m 952 rms 2.22 %NC 53.3 ENERGY -1.92180E+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@032.pdb:REMARK GM 32 e 352730 m 975 rms 2.68 %NC 46.7 ENERGY -1.93770E+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@033.pdb:REMARK GM 33 e 371621 m 1032 rms 2.68 %NC 46.7 ENERGY -1.93770E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64329 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77467 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 80866 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 373046 m 1039 rms 2.68 %NC 46.7 ENERGY -1.93770E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 380351 m 1064 rms 2.68 %NC 46.7 ENERGY -1.93770E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 85526 m 107 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@036.pdb:REMARK GM 36 e 401541 m 1124 rms 2.68 %NC 46.7 ENERGY -1.93770E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 107480 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 411819 m 1162 rms 2.13 %NC 53.3 ENERGY -1.99446E+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 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 422347 m 1206 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153678 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 432637 m 1230 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162827 m 357 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 440912 m 1255 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 184433 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 461694 m 1327 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184956 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204392 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 481539 m 1385 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 207403 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226719 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 494353 m 1427 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 232210 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234793 m 583 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 503699 m 1468 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 241014 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 617511 m 1798 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 260559 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 299813 m 809 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 620280 m 1812 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 305693 m 826 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 654393 m 1926 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 306636 m 830 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 322569 m 884 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 660648 m 1952 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 335476 m 923 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 343627 m 952 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 679283 m 2019 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 352730 m 975 rms 2.68 %NC 46.7 ENERGY -1.93770E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 762837 m 2153 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 371621 m 1032 rms 2.68 %NC 46.7 ENERGY -1.93770E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 373046 m 1039 rms 2.68 %NC 46.7 ENERGY -1.93770E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 866871 m 2477 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 380351 m 1064 rms 2.68 %NC 46.7 ENERGY -1.93770E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 918975 m 2656 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 401541 m 1124 rms 2.68 %NC 46.7 ENERGY -1.93770E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 933574 m 2705 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 411819 m 1162 rms 2.13 %NC 53.3 ENERGY -1.99446E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 422347 m 1206 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 937050 m 2716 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 432637 m 1230 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 440912 m 1255 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 940681 m 2728 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 461694 m 1327 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 981358 m 2861 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 481539 m 1385 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 494353 m 1427 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e 1019990 m 2992 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 503699 m 1468 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 617511 m 1798 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e 1038838 m 3051 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 620280 m 1812 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 654393 m 1926 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e 1699172 m 4887 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 660648 m 1952 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e 1728998 m 4961 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 679283 m 2019 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 762837 m 2153 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@061.pdb:REMARK GM 61 e 1735704 m 4988 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 866871 m 2477 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@062.pdb:REMARK GM 62 e 1774014 m 5104 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 918975 m 2656 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@063.pdb:REMARK GM 63 e 1861988 m 5242 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 933574 m 2705 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 937050 m 2716 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@064.pdb:REMARK GM 64 e 1902155 m 5349 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 940681 m 2728 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 981358 m 2861 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e 1019990 m 2992 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e 1038838 m 3051 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e 1699172 m 4887 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e 1728998 m 4961 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@061.pdb:REMARK GM 61 e 1735704 m 4988 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@062.pdb:REMARK GM 62 e 1774014 m 5104 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@063.pdb:REMARK GM 63 e 1861988 m 5242 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@064.pdb:REMARK GM 64 e 1902155 m 5349 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 64329 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+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@006.pdb:REMARK GM 6 e 77467 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+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@007.pdb:REMARK GM 7 e 80866 m 89 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@008.pdb:REMARK GM 8 e 85526 m 107 rms 2.46 %NC 46.7 ENERGY -1.88323E+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@009.pdb:REMARK GM 9 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64329 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77467 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 107480 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 80866 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+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@008.pdb:REMARK GM 8 e 85526 m 107 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+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 107480 m 187 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+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@014.pdb:REMARK GM 14 e 153678 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153678 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162827 m 357 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162827 m 357 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 184433 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 184433 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184956 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184956 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204392 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204392 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 207403 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 207403 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226719 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 232210 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226719 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234793 m 583 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 232210 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 241014 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234793 m 583 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 260559 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 241014 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 299813 m 809 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 305693 m 826 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 260559 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 306636 m 830 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 299813 m 809 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 322569 m 884 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 305693 m 826 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 335476 m 923 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 343627 m 952 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 306636 m 830 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 352730 m 975 rms 2.68 %NC 46.7 ENERGY -1.93770E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 322569 m 884 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 371621 m 1032 rms 2.68 %NC 46.7 ENERGY -1.93770E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 373046 m 1039 rms 2.68 %NC 46.7 ENERGY -1.93770E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 335476 m 923 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 380351 m 1064 rms 2.68 %NC 46.7 ENERGY -1.93770E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 343627 m 952 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 401541 m 1124 rms 2.68 %NC 46.7 ENERGY -1.93770E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 352730 m 975 rms 2.68 %NC 46.7 ENERGY -1.93770E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 411819 m 1162 rms 2.13 %NC 53.3 ENERGY -1.99446E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 422347 m 1206 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 371621 m 1032 rms 2.68 %NC 46.7 ENERGY -1.93770E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 432637 m 1230 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 440912 m 1255 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 373046 m 1039 rms 2.68 %NC 46.7 ENERGY -1.93770E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 461694 m 1327 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 380351 m 1064 rms 2.68 %NC 46.7 ENERGY -1.93770E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 481539 m 1385 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 401541 m 1124 rms 2.68 %NC 46.7 ENERGY -1.93770E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 494353 m 1427 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 411819 m 1162 rms 2.13 %NC 53.3 ENERGY -1.99446E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 503699 m 1468 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 617511 m 1798 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 422347 m 1206 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 620280 m 1812 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 432637 m 1230 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 654393 m 1926 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 440912 m 1255 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 660648 m 1952 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 461694 m 1327 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 679283 m 2019 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 762837 m 2153 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 481539 m 1385 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 866871 m 2477 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 494353 m 1427 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 918975 m 2656 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 503699 m 1468 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 933574 m 2705 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 937050 m 2716 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 617511 m 1798 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 940681 m 2728 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 620280 m 1812 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 981358 m 2861 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e 1019990 m 2992 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 654393 m 1926 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e 1038838 m 3051 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 660648 m 1952 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e 1699172 m 4887 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 679283 m 2019 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e 1728998 m 4961 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 762837 m 2153 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@061.pdb:REMARK GM 61 e 1735704 m 4988 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@062.pdb:REMARK GM 62 e 1774014 m 5104 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 866871 m 2477 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@063.pdb:REMARK GM 63 e 1861988 m 5242 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 918975 m 2656 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@064.pdb:REMARK GM 64 e 1902155 m 5349 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 933574 m 2705 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 937050 m 2716 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 940681 m 2728 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 981358 m 2861 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e 1019990 m 2992 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e 1038838 m 3051 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e 1699172 m 4887 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e 1728998 m 4961 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@061.pdb:REMARK GM 61 e 1735704 m 4988 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@062.pdb:REMARK GM 62 e 1774014 m 5104 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@063.pdb:REMARK GM 63 e 1861988 m 5242 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@064.pdb:REMARK GM 64 e 1902155 m 5349 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
156.96s
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