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
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 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 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 initializeInside initializeInside initialize MPI: node= 1 iseed= -6119485
MPI: node= 3 iseed= -12238971
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
Processor 3 0 0 ivec_start 1
ivec_end 21
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
[dell15:153802] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:153802] 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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UPDATING 100 100
UPDATING 100 100
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UPDATING 100 100
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UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
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UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 1 time 34.44664216041565
End of minim, proc 3 time 34.44667887687683
End of minim, proc 2 time 34.44973587989807
End of cycle, master time for 26 iters 34.44255995750427
sec, Eval/s 14479.38250279050
UPDATING 3 4
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
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
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UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 2 time 73.06943893432617
End of minim, proc 1 time 73.07864117622375
End of minim, proc 3 time 73.09660887718201
End of cycle, master time for 27 iters 35.63766217231750
sec, Eval/s 15155.53959147026
UPDATING 3 4
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
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
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UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 3 time 106.2452299594879
End of minim, proc 1 time 106.2599790096283
End of minim, proc 2 time 106.2735929489136
End of cycle, master time for 23 iters 30.13282299041748
sec, Eval/s 15268.89797701047
UPDATING 3 4
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
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 1 time 146.0581731796265
End of minim, proc 2 time 146.0581970214844
End of minim, proc 3 time 146.0587689876556
End of cycle, master time for 28 iters 36.80546998977661
sec, Eval/s 15258.41132190386
UPDATING 3 4
End of RUN, master time 146.0601639747620 sec, Eval/s
15037.31024415057
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= -200.13482
Emin= -200.13482
Emin= -200.13482
Emin= -200.13482
difference .00004 from reference emin -200.13486
difference .00004 from reference emin -200.13486
difference .00004 from reference emin -200.13486
difference .00004 from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5204 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 52555 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 77685 m 80 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 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 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 144407 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154033 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 164453 m 363 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 219947 m 525 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 260451 m 646 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 278921 m 720 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 321998 m 848 rms 2.24 %NC 46.7 ENERGY -1.98811E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 355448 m 909 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 394002 m 1034 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 416491 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 433055 m 1172 rms 3.33 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 449728 m 1217 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 482626 m 1350 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 504189 m 1428 rms 3.44 %NC 46.7 ENERGY -1.99817E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 517210 m 1466 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 521047 m 1477 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 524334 m 1492 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 543680 m 1562 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 610489 m 1629 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 648493 m 1752 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 689358 m 1866 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 798596 m 2182 rms 3.49 %NC 46.7 ENERGY -1.99835E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 810675 m 2214 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 827488 m 2267 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 827898 m 2269 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 831618 m 2279 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 833052 m 2288 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1050647 m 2882 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1089409 m 3010 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1110722 m 3074 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 1128487 m 3138 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 1196612 m 3198 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5204 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 52555 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 77685 m 80 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 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 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 144407 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154033 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 164453 m 363 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 219947 m 525 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 260451 m 646 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 278921 m 720 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 321998 m 848 rms 2.24 %NC 46.7 ENERGY -1.98811E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 355448 m 909 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 394002 m 1034 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5204 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 416491 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 433055 m 1172 rms 3.33 %NC 46.7 ENERGY -1.99797E+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 449728 m 1217 rms 3.32 %NC 46.7 ENERGY -1.99797E+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@032.pdb:REMARK GM 32 e 482626 m 1350 rms 3.32 %NC 46.7 ENERGY -1.99797E+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 504189 m 1428 rms 3.44 %NC 46.7 ENERGY -1.99817E+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@034.pdb:REMARK GM 34 e 517210 m 1466 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 521047 m 1477 rms 3.44 %NC 46.7 ENERGY -1.99819E+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@036.pdb:REMARK GM 36 e 524334 m 1492 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77685 m 80 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 543680 m 1562 rms 3.44 %NC 46.7 ENERGY -1.99819E+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@038.pdb:REMARK GM 38 e 610489 m 1629 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 648493 m 1752 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5204 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 689358 m 1866 rms 3.44 %NC 46.7 ENERGY -1.99819E+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@041.pdb:REMARK GM 41 e 798596 m 2182 rms 3.49 %NC 46.7 ENERGY -1.99835E+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@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 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+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@042.pdb:REMARK GM 42 e 810675 m 2214 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 827488 m 2267 rms 3.39 %NC 46.7 ENERGY -2.00134E+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@012.pdb:REMARK GM 12 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 827898 m 2269 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77685 m 80 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 831618 m 2279 rms 3.38 %NC 46.7 ENERGY -2.00135E+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 144407 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+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@046.pdb:REMARK GM 46 e 833052 m 2288 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1050647 m 2882 rms 3.38 %NC 46.7 ENERGY -2.00135E+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@015.pdb:REMARK GM 15 e 154033 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+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@016.pdb:REMARK GM 16 e 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1089409 m 3010 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1110722 m 3074 rms 3.38 %NC 46.7 ENERGY -2.00135E+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@017.pdb:REMARK GM 17 e 164453 m 363 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 1128487 m 3138 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 1196612 m 3198 rms 3.38 %NC 46.7 ENERGY -2.00135E+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@018.pdb:REMARK GM 18 e 192195 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144407 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+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@015.pdb:REMARK GM 15 e 154033 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+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@017.pdb:REMARK GM 17 e 164453 m 363 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 219947 m 525 rms 2.51 %NC 46.7 ENERGY -1.94880E+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@022.pdb:REMARK GM 22 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+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@023.pdb:REMARK GM 23 e 260451 m 646 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 219947 m 525 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 278921 m 720 rms 2.48 %NC 46.7 ENERGY -1.98203E+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@025.pdb:REMARK GM 25 e 316041 m 832 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 260451 m 646 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 278921 m 720 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 321998 m 848 rms 2.24 %NC 46.7 ENERGY -1.98811E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 321998 m 848 rms 2.24 %NC 46.7 ENERGY -1.98811E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 355448 m 909 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 355448 m 909 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 394002 m 1034 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 394002 m 1034 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 416491 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 416491 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 433055 m 1172 rms 3.33 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 433055 m 1172 rms 3.33 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 449728 m 1217 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 449728 m 1217 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 482626 m 1350 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 482626 m 1350 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 504189 m 1428 rms 3.44 %NC 46.7 ENERGY -1.99817E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 517210 m 1466 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 504189 m 1428 rms 3.44 %NC 46.7 ENERGY -1.99817E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 521047 m 1477 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 517210 m 1466 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 524334 m 1492 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 521047 m 1477 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 543680 m 1562 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 524334 m 1492 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 610489 m 1629 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 543680 m 1562 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 648493 m 1752 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 610489 m 1629 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 689358 m 1866 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 798596 m 2182 rms 3.49 %NC 46.7 ENERGY -1.99835E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 648493 m 1752 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 810675 m 2214 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 827488 m 2267 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 689358 m 1866 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 827898 m 2269 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 798596 m 2182 rms 3.49 %NC 46.7 ENERGY -1.99835E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 831618 m 2279 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 810675 m 2214 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 833052 m 2288 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 827488 m 2267 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1050647 m 2882 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 827898 m 2269 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1089409 m 3010 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 831618 m 2279 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1110722 m 3074 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 833052 m 2288 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 1128487 m 3138 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 1196612 m 3198 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1050647 m 2882 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1089409 m 3010 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1110722 m 3074 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 1128487 m 3138 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 1196612 m 3198 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
149.80s
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