Thursday, July 04 2024 01:46:00
UNRES
211.43s
Show Command Line
Show Test Time Graph
Show Failing/Passing Graph
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 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
Processor 1 out of 4 rank in CG_COMM 1
Processor 3 out of 4 rank in CG_COMM 3
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
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
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
MPI: node= 1 iseed= -6119485
MPI: node= 3 iseed= -12238971
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
Call Read_Bridge.
ns= 0
ns= 0
Processor 3 0 0 ivec_start 1
ivec_end 21
Processor 1 0 0 ivec_start 1
ivec_end 21
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
[dell15:153550] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:153550] 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
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 75.97473716735840
End of minim, proc 1 time 75.98195099830627
End of cycle, master time for 44 iters 76.00221514701843
sec, Eval/s 11135.14913167896
End of minim, proc 2 time 76.00619912147522
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
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 1 time 140.2108759880066
End of minim, proc 2 time 140.2156620025635
End of cycle, master time for 33 iters 60.09757399559021
sec, Eval/s 11068.93266687956
End of minim, proc 3 time 140.2212421894073
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
End of minim, proc 2 time 184.5858850479126
End of minim, proc 3 time 184.5992360115051
End of cycle, master time for 22 iters 40.27635002136230
sec, Eval/s 11117.34305026419
End of minim, proc 1 time 184.6697499752045
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
End of minim, proc 1 time 207.0075609683990
End of minim, proc 3 time 207.0119371414185
End of cycle, master time for 10 iters 18.27382111549377
sec, Eval/s 11082.73954965481
End of minim, proc 2 time 207.0229210853577
UPDATING 3 4
End of RUN, master time 207.0275251865387 sec, Eval/s
11098.28752447164
CG processor 2 is finishing work.
CG processor 0 is finishing work.
CG processor 1 is finishing work.
CG processor 3 is finishing work.
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Emin= -200.13486
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 80526 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 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 133618 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153806 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161119 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 167838 m 372 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 197853 m 477 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 205586 m 500 rms 2.56 %NC 46.7 ENERGY -1.91441E+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@019.pdb:REMARK GM 19 e 231168 m 588 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 235558 m 603 rms 2.56 %NC 46.7 ENERGY -1.91441E+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@021.pdb:REMARK GM 21 e 255074 m 675 rms 2.56 %NC 46.7 ENERGY -1.91441E+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 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 266706 m 709 rms 2.63 %NC 53.3 ENERGY -1.92675E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 267295 m 711 rms 2.40 %NC 46.7 ENERGY -1.96535E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 288318 m 769 rms 2.40 %NC 46.7 ENERGY -1.96536E+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@025.pdb:REMARK GM 25 e 309549 m 830 rms 2.41 %NC 46.7 ENERGY -1.96537E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 316075 m 851 rms 2.40 %NC 46.7 ENERGY -1.96537E+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 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 316583 m 856 rms 2.41 %NC 46.7 ENERGY -1.96677E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 133618 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 354130 m 967 rms 2.41 %NC 46.7 ENERGY -1.96677E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153806 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 375217 m 1029 rms 2.41 %NC 46.7 ENERGY -1.96677E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161119 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 381921 m 1049 rms 2.42 %NC 46.7 ENERGY -1.97000E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 167838 m 372 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 197853 m 477 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 410600 m 1152 rms 2.42 %NC 46.7 ENERGY -1.97000E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 424343 m 1195 rms 2.22 %NC 53.3 ENERGY -1.99009E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 205586 m 500 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 231168 m 588 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 447991 m 1267 rms 2.22 %NC 53.3 ENERGY -1.99009E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 467677 m 1325 rms 2.22 %NC 53.3 ENERGY -1.99009E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 235558 m 603 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 255074 m 675 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 266706 m 709 rms 2.63 %NC 53.3 ENERGY -1.92675E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 469219 m 1336 rms 2.22 %NC 53.3 ENERGY -1.99143E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 486986 m 1395 rms 2.21 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 267295 m 711 rms 2.40 %NC 46.7 ENERGY -1.96535E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 288318 m 769 rms 2.40 %NC 46.7 ENERGY -1.96536E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 496162 m 1424 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 503955 m 1441 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 309549 m 830 rms 2.41 %NC 46.7 ENERGY -1.96537E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 316075 m 851 rms 2.40 %NC 46.7 ENERGY -1.96537E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 531218 m 1530 rms 3.33 %NC 46.7 ENERGY -1.99756E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 554137 m 1599 rms 3.32 %NC 46.7 ENERGY -1.99757E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 316583 m 856 rms 2.41 %NC 46.7 ENERGY -1.96677E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 354130 m 967 rms 2.41 %NC 46.7 ENERGY -1.96677E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 559400 m 1614 rms 3.33 %NC 46.7 ENERGY -1.99757E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 375217 m 1029 rms 2.41 %NC 46.7 ENERGY -1.96677E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 562717 m 1624 rms 3.32 %NC 46.7 ENERGY -1.99757E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 381921 m 1049 rms 2.42 %NC 46.7 ENERGY -1.97000E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 566652 m 1644 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 410600 m 1152 rms 2.42 %NC 46.7 ENERGY -1.97000E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 424343 m 1195 rms 2.22 %NC 53.3 ENERGY -1.99009E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 595684 m 1743 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 447991 m 1267 rms 2.22 %NC 53.3 ENERGY -1.99009E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 603256 m 1764 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 467677 m 1325 rms 2.22 %NC 53.3 ENERGY -1.99009E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 622455 m 1834 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 641630 m 1897 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 469219 m 1336 rms 2.22 %NC 53.3 ENERGY -1.99143E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 486986 m 1395 rms 2.21 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 496162 m 1424 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 503955 m 1441 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 531218 m 1530 rms 3.33 %NC 46.7 ENERGY -1.99756E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 554137 m 1599 rms 3.32 %NC 46.7 ENERGY -1.99757E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 559400 m 1614 rms 3.33 %NC 46.7 ENERGY -1.99757E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 562717 m 1624 rms 3.32 %NC 46.7 ENERGY -1.99757E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 566652 m 1644 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 595684 m 1743 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 603256 m 1764 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 622455 m 1834 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 641630 m 1897 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@001.pdb:REMARK GM 1 e 4675 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+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@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+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@003.pdb:REMARK GM 3 e 19250 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+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@004.pdb:REMARK GM 4 e 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+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@005.pdb:REMARK GM 5 e 64374 m 49 rms 2.46 %NC 46.7 ENERGY -1.87972E+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@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 107822 m 189 rms 2.62 %NC 46.7 ENERGY -1.88657E+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 85227 m 105 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+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@012.pdb:REMARK GM 12 e 133618 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153806 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 133618 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161119 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 167838 m 372 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153806 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161119 m 347 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 197853 m 477 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 167838 m 372 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 205586 m 500 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 197853 m 477 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 231168 m 588 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 205586 m 500 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 235558 m 603 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 231168 m 588 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 255074 m 675 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 235558 m 603 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 255074 m 675 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 266706 m 709 rms 2.63 %NC 53.3 ENERGY -1.92675E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 267295 m 711 rms 2.40 %NC 46.7 ENERGY -1.96535E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 266706 m 709 rms 2.63 %NC 53.3 ENERGY -1.92675E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 267295 m 711 rms 2.40 %NC 46.7 ENERGY -1.96535E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 288318 m 769 rms 2.40 %NC 46.7 ENERGY -1.96536E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 288318 m 769 rms 2.40 %NC 46.7 ENERGY -1.96536E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 309549 m 830 rms 2.41 %NC 46.7 ENERGY -1.96537E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 309549 m 830 rms 2.41 %NC 46.7 ENERGY -1.96537E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 316075 m 851 rms 2.40 %NC 46.7 ENERGY -1.96537E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 316075 m 851 rms 2.40 %NC 46.7 ENERGY -1.96537E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 316583 m 856 rms 2.41 %NC 46.7 ENERGY -1.96677E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 316583 m 856 rms 2.41 %NC 46.7 ENERGY -1.96677E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 354130 m 967 rms 2.41 %NC 46.7 ENERGY -1.96677E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 354130 m 967 rms 2.41 %NC 46.7 ENERGY -1.96677E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 375217 m 1029 rms 2.41 %NC 46.7 ENERGY -1.96677E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 375217 m 1029 rms 2.41 %NC 46.7 ENERGY -1.96677E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 381921 m 1049 rms 2.42 %NC 46.7 ENERGY -1.97000E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 381921 m 1049 rms 2.42 %NC 46.7 ENERGY -1.97000E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 410600 m 1152 rms 2.42 %NC 46.7 ENERGY -1.97000E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 410600 m 1152 rms 2.42 %NC 46.7 ENERGY -1.97000E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 424343 m 1195 rms 2.22 %NC 53.3 ENERGY -1.99009E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 424343 m 1195 rms 2.22 %NC 53.3 ENERGY -1.99009E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 447991 m 1267 rms 2.22 %NC 53.3 ENERGY -1.99009E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 447991 m 1267 rms 2.22 %NC 53.3 ENERGY -1.99009E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 467677 m 1325 rms 2.22 %NC 53.3 ENERGY -1.99009E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 467677 m 1325 rms 2.22 %NC 53.3 ENERGY -1.99009E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 469219 m 1336 rms 2.22 %NC 53.3 ENERGY -1.99143E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 469219 m 1336 rms 2.22 %NC 53.3 ENERGY -1.99143E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 486986 m 1395 rms 2.21 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 486986 m 1395 rms 2.21 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 496162 m 1424 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 496162 m 1424 rms 2.22 %NC 53.3 ENERGY -1.99144E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 503955 m 1441 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 503955 m 1441 rms 2.22 %NC 53.3 ENERGY -1.99145E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 531218 m 1530 rms 3.33 %NC 46.7 ENERGY -1.99756E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 531218 m 1530 rms 3.33 %NC 46.7 ENERGY -1.99756E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 554137 m 1599 rms 3.32 %NC 46.7 ENERGY -1.99757E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 554137 m 1599 rms 3.32 %NC 46.7 ENERGY -1.99757E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 559400 m 1614 rms 3.33 %NC 46.7 ENERGY -1.99757E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 559400 m 1614 rms 3.33 %NC 46.7 ENERGY -1.99757E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 562717 m 1624 rms 3.32 %NC 46.7 ENERGY -1.99757E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 562717 m 1624 rms 3.32 %NC 46.7 ENERGY -1.99757E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 566652 m 1644 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 566652 m 1644 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 595684 m 1743 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 595684 m 1743 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 603256 m 1764 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 603256 m 1764 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 622455 m 1834 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 622455 m 1834 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 641630 m 1897 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 641630 m 1897 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
