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 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
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 1 0 0 ivec_start 1
ivec_end 21
Processor 3 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
[dell15:44437] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:44437] 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
End of minim, proc 1 time 62.03197193145752
End of minim, proc 3 time 62.03427219390869
End of cycle, master time for 42 iters 62.06707000732422
sec, Eval/s 13278.89329885787
End of minim, proc 2 time 62.07429409027100
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
End of minim, proc 3 time 110.6092159748077
End of minim, proc 1 time 110.6092419624329
End of cycle, master time for 29 iters 44.97187709808350
sec, Eval/s 13245.21097264549
End of minim, proc 2 time 110.6269111633301
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
UPDATING 100 100
End of minim, proc 1 time 148.8381910324097
End of minim, proc 2 time 148.8381850719452
End of minim, proc 3 time 148.8448021411896
End of cycle, master time for 23 iters 34.74637103080750
sec, Eval/s 13363.43871963797
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
End of minim, proc 3 time 175.0086221694946
End of minim, proc 2 time 175.0086710453033
End of minim, proc 1 time 175.0086750984192
End of cycle, master time for 15 iters 22.73257088661194
sec, Eval/s 13333.24776646826
UPDATING 3 4
End of RUN, master time 175.0182030200958 sec, Eval/s
13273.60788713649
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= -200.13487
Emin= -200.13487
Emin= -200.13487
Emin= -200.13487
difference .00001 from reference emin -200.13486
difference .00001 from reference emin -200.13486
difference .00001 from reference emin -200.13486
difference .00001 from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5513 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19250 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52275 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 80866 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85392 m 107 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 86025 m 110 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 133903 m 259 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184665 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 204154 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 208126 m 494 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 226501 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 232072 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 234146 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 240911 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 259185 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 296358 m 800 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 315452 m 871 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 336076 m 943 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 339110 m 950 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 376321 m 1064 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 385025 m 1089 rms 3.11 %NC 46.7 ENERGY -1.93802E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 407368 m 1168 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 414157 m 1190 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 418346 m 1210 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 439599 m 1273 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 446100 m 1298 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 453549 m 1314 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 457843 m 1332 rms 3.48 %NC 46.7 ENERGY -1.96963E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 508786 m 1487 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 531873 m 1550 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 536034 m 1563 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 563823 m 1654 rms 3.33 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 582794 m 1716 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 596993 m 1759 rms 3.45 %NC 46.7 ENERGY -1.99815E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 618795 m 1833 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 626851 m 1869 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 644518 m 1937 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 653174 m 1962 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 655794 m 1972 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 676826 m 2038 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 717364 m 2171 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 754589 m 2311 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 831518 m 2590 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 937243 m 2777 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 978892 m 2910 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5513 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19250 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52275 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 80866 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85392 m 107 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 86025 m 110 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 133903 m 259 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184665 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5513 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 204154 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+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@021.pdb:REMARK GM 21 e 208126 m 494 rms 2.13 %NC 60.0 ENERGY -1.91901E+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@022.pdb:REMARK GM 22 e 226501 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 232072 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 234146 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+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@025.pdb:REMARK GM 25 e 240911 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5513 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 259185 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+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@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 296358 m 800 rms 2.13 %NC 60.0 ENERGY -1.91902E+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@008.pdb:REMARK GM 8 e 80866 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 315452 m 871 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85392 m 107 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52275 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@029.pdb:REMARK GM 29 e 336076 m 943 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 86025 m 110 rms 2.46 %NC 46.7 ENERGY -1.88323E+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@030.pdb:REMARK GM 30 e 339110 m 950 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 376321 m 1064 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+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 80866 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 385025 m 1089 rms 3.11 %NC 46.7 ENERGY -1.93802E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85392 m 107 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 407368 m 1168 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 133903 m 259 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 86025 m 110 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 414157 m 1190 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 418346 m 1210 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 439599 m 1273 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 133903 m 259 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 446100 m 1298 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 453549 m 1314 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184665 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 153904 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 204154 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 457843 m 1332 rms 3.48 %NC 46.7 ENERGY -1.96963E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 208126 m 494 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 508786 m 1487 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184665 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 226501 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 531873 m 1550 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 204154 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 536034 m 1563 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 232072 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 208126 m 494 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 226501 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 563823 m 1654 rms 3.33 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 234146 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 232072 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 240911 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 234146 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 582794 m 1716 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 259185 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 240911 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 596993 m 1759 rms 3.45 %NC 46.7 ENERGY -1.99815E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 618795 m 1833 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 296358 m 800 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 259185 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 626851 m 1869 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 315452 m 871 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 296358 m 800 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 315452 m 871 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 336076 m 943 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 644518 m 1937 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 339110 m 950 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 653174 m 1962 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 336076 m 943 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 339110 m 950 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 655794 m 1972 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 376321 m 1064 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 376321 m 1064 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 385025 m 1089 rms 3.11 %NC 46.7 ENERGY -1.93802E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 676826 m 2038 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 385025 m 1089 rms 3.11 %NC 46.7 ENERGY -1.93802E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 407368 m 1168 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 717364 m 2171 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 414157 m 1190 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 407368 m 1168 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 414157 m 1190 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 754589 m 2311 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 418346 m 1210 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 831518 m 2590 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 418346 m 1210 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 439599 m 1273 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 937243 m 2777 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 439599 m 1273 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 446100 m 1298 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 453549 m 1314 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 978892 m 2910 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 446100 m 1298 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 457843 m 1332 rms 3.48 %NC 46.7 ENERGY -1.96963E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 453549 m 1314 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 508786 m 1487 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 531873 m 1550 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 457843 m 1332 rms 3.48 %NC 46.7 ENERGY -1.96963E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 536034 m 1563 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 508786 m 1487 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 563823 m 1654 rms 3.33 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 531873 m 1550 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 582794 m 1716 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 536034 m 1563 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 596993 m 1759 rms 3.45 %NC 46.7 ENERGY -1.99815E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 563823 m 1654 rms 3.33 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 618795 m 1833 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 582794 m 1716 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 626851 m 1869 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 644518 m 1937 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 596993 m 1759 rms 3.45 %NC 46.7 ENERGY -1.99815E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 653174 m 1962 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 618795 m 1833 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 655794 m 1972 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 626851 m 1869 rms 3.38 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 676826 m 2038 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 717364 m 2171 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 644518 m 1937 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 754589 m 2311 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 831518 m 2590 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 653174 m 1962 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 655794 m 1972 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 937243 m 2777 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 676826 m 2038 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 978892 m 2910 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 717364 m 2171 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 754589 m 2311 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 831518 m 2590 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 937243 m 2777 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 978892 m 2910 rms 3.38 %NC 46.7 ENERGY -2.00135E+02