Execution Time195.82s

Test: UNRES_CSA_local (Passed)
Build: Linux-pgi-MPI GAB (dell15) on 2018-06-10 04:09:03
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6


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Test output
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            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 
 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
            0  size of FG_COMM1            1
            0  size of FG_COMM1            1
Inside initializeInside initializeInside initializeInside initialize MPI: node=             2  iseed=                  -9179228
 MPI: node=             0  iseed=                  -3059742
 MPI: node=             3  iseed=                 -12238971
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 MPI: node=             1  iseed=                  -6119485
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 Processor            2            0            0  ivec_start            1 
  ivec_end           21
 Processor            1            0            0  ivec_start            1 
  ivec_end           21
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 Processor            0            0            0  ivec_start            1 
  ivec_end           21
 Processor            3            0            0  ivec_start            1 
  ivec_end           21
 Exitted from make_ranvar nconfr=          100
 FEEDIN: NCONF=          100
 UPDATING            97           97
[dell15:128387] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:128387] 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     65.03714704513550     
 End of minim, proc            1 time     65.03800892829895     
 End of cycle, master time for            42  iters     65.03952622413635      
 sec, Eval/s     12418.09476312379     
 End of minim, proc            3 time     65.04668307304382     
 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
 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            1 time     96.84366488456726     
 End of minim, proc            2 time     96.84958100318909     
 End of cycle, master time for            17  iters     28.28625488281250      
 sec, Eval/s     12143.74265603894     
 End of minim, proc            3 time     96.85003519058228     
 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
 End of minim, proc            2 time     134.8726880550385     
 End of minim, proc            3 time     134.8730370998383     
 End of cycle, master time for            21  iters     33.88297510147095      
 sec, Eval/s     12438.40007372032     
 End of minim, proc            1 time     134.9023449420929     
 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
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 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            2 time     192.0369741916656     
 End of cycle, master time for            29  iters     53.07120800018311      
 sec, Eval/s     11102.23456752609     
 End of minim, proc            3 time     192.0370590686798     
 End of minim, proc            1 time     192.0370759963989     
 UPDATING             3            4
 End of RUN, master time     192.0398101806641      sec, Eval/s  
    11964.58170750341     
CG processor   0 is finishing work.
CG processor   1 is finishing work.
CG processor   3 is finishing work.
CG processor   2 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=  -200.13486
Emin=  -200.13486
Emin=  -200.13486
Emin=  -200.13486
difference  0  from reference emin -200.13486
difference  0  from reference emin -200.13486
difference  0  from reference emin -200.13486
difference  0  from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      4984 m      1 rms  2.63 %NC  46.7     ENERGY    -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      5877 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     64329 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77537 m     79 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     80526 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    107666 m    188 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    133707 m    259 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149192 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153904 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    161523 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    162752 m    357 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    180980 m    421 rms  2.13 %NC  60.0     ENERGY    -1.91901E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    203201 m    500 rms  3.00 %NC  46.7     ENERGY    -1.92090E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    204443 m    502 rms  3.01 %NC  46.7     ENERGY    -1.96003E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    221805 m    557 rms  3.01 %NC  46.7     ENERGY    -1.96003E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    223940 m    566 rms  2.57 %NC  46.7     ENERGY    -1.96118E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    236766 m    607 rms  2.21 %NC  53.3     ENERGY    -1.99006E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    241758 m    631 rms  2.22 %NC  53.3     ENERGY    -1.99009E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    259288 m    687 rms  2.22 %NC  53.3     ENERGY    -1.99009E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    260559 m    698 rms  2.22 %NC  53.3     ENERGY    -1.99145E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    283874 m    775 rms  3.29 %NC  46.7     ENERGY    -1.99449E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    301743 m    849 rms  3.38 %NC  46.7     ENERGY    -1.99987E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    328617 m    954 rms  3.38 %NC  46.7     ENERGY    -1.99987E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    329159 m    956 rms  3.39 %NC  46.7     ENERGY    -1.99987E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    336202 m    979 rms  3.38 %NC  46.7     ENERGY    -1.99987E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    375431 m   1129 rms  3.38 %NC  46.7     ENERGY    -1.99987E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    383972 m   1162 rms  3.38 %NC  46.7     ENERGY    -2.00130E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    394125 m   1192 rms  3.38 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    396194 m   1205 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    409411 m   1254 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    434907 m   1341 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    463119 m   1433 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    491434 m   1540 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    509742 m   1606 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      4984 m      1 rms  2.63 %NC  46.7     ENERGY    -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      5877 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     64329 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77537 m     79 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     80526 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    107666 m    188 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    133707 m    259 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149192 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153904 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    161523 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    162752 m    357 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    180980 m    421 rms  2.13 %NC  60.0     ENERGY    -1.91901E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    203201 m    500 rms  3.00 %NC  46.7     ENERGY    -1.92090E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    204443 m    502 rms  3.01 %NC  46.7     ENERGY    -1.96003E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    221805 m    557 rms  3.01 %NC  46.7     ENERGY    -1.96003E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    223940 m    566 rms  2.57 %NC  46.7     ENERGY    -1.96118E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    236766 m    607 rms  2.21 %NC  53.3     ENERGY    -1.99006E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    241758 m    631 rms  2.22 %NC  53.3     ENERGY    -1.99009E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    259288 m    687 rms  2.22 %NC  53.3     ENERGY    -1.99009E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    260559 m    698 rms  2.22 %NC  53.3     ENERGY    -1.99145E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    283874 m    775 rms  3.29 %NC  46.7     ENERGY    -1.99449E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    301743 m    849 rms  3.38 %NC  46.7     ENERGY    -1.99987E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    328617 m    954 rms  3.38 %NC  46.7     ENERGY    -1.99987E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    329159 m    956 rms  3.39 %NC  46.7     ENERGY    -1.99987E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    336202 m    979 rms  3.38 %NC  46.7     ENERGY    -1.99987E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    375431 m   1129 rms  3.38 %NC  46.7     ENERGY    -1.99987E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    383972 m   1162 rms  3.38 %NC  46.7     ENERGY    -2.00130E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    394125 m   1192 rms  3.38 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    396194 m   1205 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    409411 m   1254 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    434907 m   1341 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    463119 m   1433 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    491434 m   1540 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    509742 m   1606 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      4984 m      1 rms  2.63 %NC  46.7     ENERGY    -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      5877 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     64329 m     50 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM  6 e     77537 m     79 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     80526 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    107666 m    188 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    133707 m    259 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149192 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153904 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    161523 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    162752 m    357 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    180980 m    421 rms  2.13 %NC  60.0     ENERGY    -1.91901E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    203201 m    500 rms  3.00 %NC  46.7     ENERGY    -1.92090E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    204443 m    502 rms  3.01 %NC  46.7     ENERGY    -1.96003E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    221805 m    557 rms  3.01 %NC  46.7     ENERGY    -1.96003E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    223940 m    566 rms  2.57 %NC  46.7     ENERGY    -1.96118E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    236766 m    607 rms  2.21 %NC  53.3     ENERGY    -1.99006E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    241758 m    631 rms  2.22 %NC  53.3     ENERGY    -1.99009E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    259288 m    687 rms  2.22 %NC  53.3     ENERGY    -1.99009E+02
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      4984 m      1 rms  2.63 %NC  46.7     ENERGY    -1.66323E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    260559 m    698 rms  2.22 %NC  53.3     ENERGY    -1.99145E+02
1l2y_csa_local_4P@002.pdb:REMARK GM  2 e      5877 m      2 rms  2.38 %NC  46.7     ENERGY    -1.87312E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    283874 m    775 rms  3.29 %NC  46.7     ENERGY    -1.99449E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    301743 m    849 rms  3.38 %NC  46.7     ENERGY    -1.99987E+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@028.pdb:REMARK GM 28 e    328617 m    954 rms  3.38 %NC  46.7     ENERGY    -1.99987E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    329159 m    956 rms  3.39 %NC  46.7     ENERGY    -1.99987E+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     77537 m     79 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    336202 m    979 rms  3.38 %NC  46.7     ENERGY    -1.99987E+02
1l2y_csa_local_4P@007.pdb:REMARK GM  7 e     80526 m     89 rms  2.46 %NC  46.7     ENERGY    -1.87972E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    375431 m   1129 rms  3.38 %NC  46.7     ENERGY    -1.99987E+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@032.pdb:REMARK GM 32 e    383972 m   1162 rms  3.38 %NC  46.7     ENERGY    -2.00130E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    394125 m   1192 rms  3.38 %NC  46.7     ENERGY    -2.00134E+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    107666 m    188 rms  2.62 %NC  46.7     ENERGY    -1.88657E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    396194 m   1205 rms  3.38 %NC  46.7     ENERGY    -2.00135E+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@035.pdb:REMARK GM 35 e    409411 m   1254 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e    133707 m    259 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    434907 m   1341 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149192 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    463119 m   1433 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153904 m    317 rms  2.31 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    491434 m   1540 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e    161523 m    355 rms  2.32 %NC  46.7     ENERGY    -1.90195E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    509742 m   1606 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e    162752 m    357 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    180980 m    421 rms  2.13 %NC  60.0     ENERGY    -1.91901E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    203201 m    500 rms  3.00 %NC  46.7     ENERGY    -1.92090E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    204443 m    502 rms  3.01 %NC  46.7     ENERGY    -1.96003E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    221805 m    557 rms  3.01 %NC  46.7     ENERGY    -1.96003E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    223940 m    566 rms  2.57 %NC  46.7     ENERGY    -1.96118E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    236766 m    607 rms  2.21 %NC  53.3     ENERGY    -1.99006E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    241758 m    631 rms  2.22 %NC  53.3     ENERGY    -1.99009E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    259288 m    687 rms  2.22 %NC  53.3     ENERGY    -1.99009E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    260559 m    698 rms  2.22 %NC  53.3     ENERGY    -1.99145E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    283874 m    775 rms  3.29 %NC  46.7     ENERGY    -1.99449E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    301743 m    849 rms  3.38 %NC  46.7     ENERGY    -1.99987E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    328617 m    954 rms  3.38 %NC  46.7     ENERGY    -1.99987E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    329159 m    956 rms  3.39 %NC  46.7     ENERGY    -1.99987E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    336202 m    979 rms  3.38 %NC  46.7     ENERGY    -1.99987E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    375431 m   1129 rms  3.38 %NC  46.7     ENERGY    -1.99987E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    383972 m   1162 rms  3.38 %NC  46.7     ENERGY    -2.00130E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    394125 m   1192 rms  3.38 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    396194 m   1205 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    409411 m   1254 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    434907 m   1341 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    463119 m   1433 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    491434 m   1540 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    509742 m   1606 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02