Wednesday, September 18 2024 21:24:26
UNRES
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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
0 size of FG_COMM1 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
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 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
Inside initializeInside initializeInside initializeInside initialize MPI: node= 2 iseed= -9179228
MPI: node= 1 iseed= -6119485
MPI: node= 3 iseed= -12238971
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
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
Processor 3 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
UPDATING 97 97
[dell15:192317] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:192317] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
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End of minim, proc 2 time 60.90210485458374
End of minim, proc 1 time 60.90214204788208
End of minim, proc 3 time 60.91372489929199
End of cycle, master time for 45 iters 60.90949487686157
sec, Eval/s 14511.18584691737
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
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End of minim, proc 3 time 92.85594201087952
End of minim, proc 1 time 92.85596799850464
End of cycle, master time for 22 iters 28.96864604949951
sec, Eval/s 15243.82600572488
End of minim, proc 2 time 92.88272595405579
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
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End of minim, proc 1 time 123.7660651206970
End of minim, proc 2 time 123.7660908699036
End of cycle, master time for 21 iters 27.85732388496399
sec, Eval/s 15187.85514887037
End of minim, proc 3 time 123.7922160625458
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 3 time 132.1285700798035
End of minim, proc 2 time 132.1285958290100
End of cycle, master time for 4 iters 5.344136953353882
sec, Eval/s 15170.83126941925
End of minim, proc 1 time 132.1304881572723
UPDATING 3 4
End of RUN, master time 132.1349668502808 sec, Eval/s
14874.78331323942
CG processor 3 is finishing work.
CG processor 2 is finishing work.
CG processor 1 is finishing work.
CG processor 0 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= -200.13483
Emin= -200.13483
Emin= -200.13483
Emin= -200.13483
difference .00003 from reference emin -200.13486
difference .00003 from reference emin -200.13486
difference .00003 from reference emin -200.13486
difference .00003 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 19537 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 64129 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 85425 m 106 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 132535 m 257 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149435 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 163161 m 359 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184694 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204154 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 207358 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226525 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 231708 m 574 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234350 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 240935 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 259209 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 296331 m 799 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 315559 m 875 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 338843 m 951 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 376186 m 1067 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 384836 m 1089 rms 3.11 %NC 46.7 ENERGY -1.93802E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 406792 m 1168 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 413790 m 1191 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 417976 m 1211 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 439000 m 1272 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 445635 m 1298 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 453369 m 1316 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 457411 m 1332 rms 3.48 %NC 46.7 ENERGY -1.96963E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 505621 m 1480 rms 3.50 %NC 46.7 ENERGY -1.99834E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 611162 m 1816 rms 3.39 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 624335 m 1854 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 700579 m 2093 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 718598 m 2146 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 19537 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 64129 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 85425 m 106 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 132535 m 257 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149435 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 163161 m 359 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184694 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204154 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 207358 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+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@021.pdb:REMARK GM 21 e 226525 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+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@022.pdb:REMARK GM 22 e 231708 m 574 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234350 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19537 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 240935 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+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@025.pdb:REMARK GM 25 e 259209 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64129 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 296331 m 799 rms 2.13 %NC 60.0 ENERGY -1.91902E+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@027.pdb:REMARK GM 27 e 315559 m 875 rms 2.13 %NC 60.0 ENERGY -1.91902E+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@028.pdb:REMARK GM 28 e 338843 m 951 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 376186 m 1067 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 85425 m 106 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@030.pdb:REMARK GM 30 e 384836 m 1089 rms 3.11 %NC 46.7 ENERGY -1.93802E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 406792 m 1168 rms 3.11 %NC 46.7 ENERGY -1.93803E+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@032.pdb:REMARK GM 32 e 413790 m 1191 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132535 m 257 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 417976 m 1211 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 439000 m 1272 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 445635 m 1298 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149435 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@036.pdb:REMARK GM 36 e 453369 m 1316 rms 3.27 %NC 46.7 ENERGY -1.95768E+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@037.pdb:REMARK GM 37 e 457411 m 1332 rms 3.48 %NC 46.7 ENERGY -1.96963E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 505621 m 1480 rms 3.50 %NC 46.7 ENERGY -1.99834E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 163161 m 359 rms 2.58 %NC 53.3 ENERGY -1.91065E+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@039.pdb:REMARK GM 39 e 611162 m 1816 rms 3.39 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+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@040.pdb:REMARK GM 40 e 624335 m 1854 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184694 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19537 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 700579 m 2093 rms 3.38 %NC 46.7 ENERGY -2.00135E+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@019.pdb:REMARK GM 19 e 204154 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 718598 m 2146 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 207358 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64129 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@021.pdb:REMARK GM 21 e 226525 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 231708 m 574 rms 2.13 %NC 60.0 ENERGY -1.91902E+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@023.pdb:REMARK GM 23 e 234350 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 85425 m 106 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@024.pdb:REMARK GM 24 e 240935 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 259209 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+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 132535 m 257 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 296331 m 799 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 133158 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 315559 m 875 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 338843 m 951 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 149435 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@029.pdb:REMARK GM 29 e 376186 m 1067 rms 2.33 %NC 46.7 ENERGY -1.93547E+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@030.pdb:REMARK GM 30 e 384836 m 1089 rms 3.11 %NC 46.7 ENERGY -1.93802E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 163161 m 359 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 406792 m 1168 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 413790 m 1191 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184694 m 430 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 417976 m 1211 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204154 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 207358 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 439000 m 1272 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 445635 m 1298 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226525 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 231708 m 574 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 453369 m 1316 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 457411 m 1332 rms 3.48 %NC 46.7 ENERGY -1.96963E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234350 m 582 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 240935 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 505621 m 1480 rms 3.50 %NC 46.7 ENERGY -1.99834E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 611162 m 1816 rms 3.39 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 259209 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 296331 m 799 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 624335 m 1854 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 315559 m 875 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 700579 m 2093 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 718598 m 2146 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 338843 m 951 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 376186 m 1067 rms 2.33 %NC 46.7 ENERGY -1.93547E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 384836 m 1089 rms 3.11 %NC 46.7 ENERGY -1.93802E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 406792 m 1168 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 413790 m 1191 rms 3.11 %NC 46.7 ENERGY -1.93803E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 417976 m 1211 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 439000 m 1272 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 445635 m 1298 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 453369 m 1316 rms 3.27 %NC 46.7 ENERGY -1.95768E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 457411 m 1332 rms 3.48 %NC 46.7 ENERGY -1.96963E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 505621 m 1480 rms 3.50 %NC 46.7 ENERGY -1.99834E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 611162 m 1816 rms 3.39 %NC 46.7 ENERGY -2.00133E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 624335 m 1854 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 700579 m 2093 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 718598 m 2146 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
