Execution Time147.90s

Test: UNRES_CSA_local (Passed)
Build: Linux-pgi-MPI GAB (dell15) on 2019-10-31 04:00:18
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            2  out of            4  rank in CG_COMM            2 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
 Processor            0  out of            4  rank in CG_COMM            0 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
            0  size of FG_COMM1            1
            0  size of FG_COMM1            1
 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 initializeInside initialize MPI: node=             2  iseed=                  -9179228
 MPI: node=             0  iseed=                  -3059742
 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            0            0            0  ivec_start            1 
  ivec_end           21
 MPI: node=             3  iseed=                 -12238971
 MPI: node=             1  iseed=                  -6119485
 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
 Exitted from make_ranvar nconfr=          100
 FEEDIN: NCONF=          100
[dell15:191447] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:191447] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
 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
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 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            1 time     36.93415808677673     
 End of minim, proc            3 time     36.93470287322998     
 End of cycle, master time for            27  iters     36.93189787864685      
 sec, Eval/s     13914.88197245142     
 End of minim, proc            2 time     36.93582916259766     
 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     67.48538899421692     
 End of minim, proc            1 time     67.48541498184204     
 End of cycle, master time for            21  iters     27.59416699409485      
 sec, Eval/s     15288.15854779305     
 End of minim, proc            3 time     67.49946784973145     
 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
 End of minim, proc            3 time     101.0920767784119     
 End of minim, proc            1 time     101.0921080112457     
 End of cycle, master time for            23  iters     30.56235599517822      
 sec, Eval/s     15239.36832858962     
 End of minim, proc            2 time     101.0976381301880     
 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
 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            3 time     143.5566389560699     
 End of minim, proc            1 time     143.5566620826721     
 End of cycle, master time for            30  iters     39.48329806327820      
 sec, Eval/s     15166.97007023733     
 End of minim, proc            2 time     143.5566711425781     
 UPDATING             3            4
 End of RUN, master time     143.5612578392029      sec, Eval/s  
    14880.12178322288     
CG processor   3 is finishing work.
CG processor   0 is finishing work.
CG processor   2 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=  -200.13486
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      4675 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     64374 m     49 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     85227 m    105 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    107822 m    189 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    132823 m    257 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149160 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153616 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    162459 m    358 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184673 m    430 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    185151 m    432 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    210096 m    500 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    235060 m    586 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    241687 m    611 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    255760 m    655 rms  2.13 %NC  53.3     ENERGY    -1.99551E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    262947 m    689 rms  2.13 %NC  53.3     ENERGY    -1.99553E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    264410 m    693 rms  2.13 %NC  53.3     ENERGY    -1.99555E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    270809 m    716 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    277761 m    747 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    321725 m    924 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    352516 m   1026 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    390179 m   1149 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    396041 m   1176 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    424939 m   1269 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    428786 m   1280 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    512982 m   1564 rms  3.39 %NC  46.7     ENERGY    -2.00133E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    533975 m   1645 rms  3.39 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    541016 m   1673 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    546460 m   1691 rms  3.39 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    559115 m   1733 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    626372 m   1799 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    690970 m   1960 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    731894 m   2064 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    769461 m   2188 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      4675 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     64374 m     49 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     85227 m    105 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    107822 m    189 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    132823 m    257 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149160 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153616 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    162459 m    358 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184673 m    430 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    185151 m    432 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    210096 m    500 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    235060 m    586 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    241687 m    611 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    255760 m    655 rms  2.13 %NC  53.3     ENERGY    -1.99551E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    262947 m    689 rms  2.13 %NC  53.3     ENERGY    -1.99553E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    264410 m    693 rms  2.13 %NC  53.3     ENERGY    -1.99555E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    270809 m    716 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    277761 m    747 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    321725 m    924 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    352516 m   1026 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    390179 m   1149 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    396041 m   1176 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    424939 m   1269 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    428786 m   1280 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    512982 m   1564 rms  3.39 %NC  46.7     ENERGY    -2.00133E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    533975 m   1645 rms  3.39 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    541016 m   1673 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    546460 m   1691 rms  3.39 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    559115 m   1733 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    626372 m   1799 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    690970 m   1960 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    731894 m   2064 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    769461 m   2188 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      4675 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     64374 m     49 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     85227 m    105 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    107822 m    189 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    132823 m    257 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149160 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153616 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    162459 m    358 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184673 m    430 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    185151 m    432 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    210096 m    500 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    235060 m    586 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    241687 m    611 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    255760 m    655 rms  2.13 %NC  53.3     ENERGY    -1.99551E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    262947 m    689 rms  2.13 %NC  53.3     ENERGY    -1.99553E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    264410 m    693 rms  2.13 %NC  53.3     ENERGY    -1.99555E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    270809 m    716 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    277761 m    747 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    321725 m    924 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    352516 m   1026 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    390179 m   1149 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    396041 m   1176 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    424939 m   1269 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    428786 m   1280 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    512982 m   1564 rms  3.39 %NC  46.7     ENERGY    -2.00133E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    533975 m   1645 rms  3.39 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    541016 m   1673 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    546460 m   1691 rms  3.39 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    559115 m   1733 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    626372 m   1799 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    690970 m   1960 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    731894 m   2064 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    769461 m   2188 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM  1 e      4675 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     64374 m     49 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     85227 m    105 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    107822 m    189 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    132823 m    257 rms  2.50 %NC  46.7     ENERGY    -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e    149160 m    306 rms  2.33 %NC  46.7     ENERGY    -1.90194E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e    153616 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    162459 m    358 rms  2.58 %NC  53.3     ENERGY    -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e    184673 m    430 rms  2.52 %NC  53.3     ENERGY    -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e    185151 m    432 rms  2.56 %NC  46.7     ENERGY    -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e    210096 m    500 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e    235060 m    586 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e    241687 m    611 rms  2.86 %NC  53.3     ENERGY    -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e    255760 m    655 rms  2.13 %NC  53.3     ENERGY    -1.99551E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e    262947 m    689 rms  2.13 %NC  53.3     ENERGY    -1.99553E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e    264410 m    693 rms  2.13 %NC  53.3     ENERGY    -1.99555E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e    270809 m    716 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e    277761 m    747 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e    321725 m    924 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e    352516 m   1026 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e    390179 m   1149 rms  2.13 %NC  53.3     ENERGY    -1.99556E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e    396041 m   1176 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e    424939 m   1269 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e    428786 m   1280 rms  3.28 %NC  46.7     ENERGY    -1.99802E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e    512982 m   1564 rms  3.39 %NC  46.7     ENERGY    -2.00133E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e    533975 m   1645 rms  3.39 %NC  46.7     ENERGY    -2.00134E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e    541016 m   1673 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e    546460 m   1691 rms  3.39 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e    559115 m   1733 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e    626372 m   1799 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e    690970 m   1960 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e    731894 m   2064 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e    769461 m   2188 rms  3.38 %NC  46.7     ENERGY    -2.00135E+02