Sunday, September 22 2024 04:38:04
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CTEST_FULL_OUTPUT
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CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
--------------------------------------------------------------------------
The library attempted to open the following supporting CUDA libraries,
but each of them failed. CUDA-aware support is disabled.
libcuda.so.1: cannot open shared object file: No such file or directory
/usr/lib64/libcuda.so.1: cannot open shared object file: No such file or directory
If you are not interested in CUDA-aware support, then run with
--mca mpi_cuda_support 0 to suppress this message. If you are interested
in CUDA-aware support, then try setting LD_LIBRARY_PATH to the location
of libcuda.so.1 to get passed this issue.
--------------------------------------------------------------------------
Processor 0 out of 4 rank in CG_COMM 0
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Processor 1 out of 4 rank in CG_COMM 1
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
Processor 2 out of 4 rank in CG_COMM 2
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
0 size of FG_COMM1 1
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
Inside initializeInside initializeInside initializeInside initialize MPI: node= 0 iseed= -3059742
MPI: node= 1 iseed= -6119485
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
MPI: node= 3 iseed= -12238971
Processor 0 0 0 ivec_start 1
ivec_end 21
Processor 1 0 0 ivec_start 1
ivec_end 21
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 3 0 0 ivec_start 1
ivec_end 21
MPI: node= 2 iseed= -9179228
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 2 0 0 ivec_start 1
ivec_end 21
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
[dell15:07561] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:07561] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
UPDATING 97 97
UPDATING 100 100
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End of minim, proc 2 time 46.90348815917969
End of minim, proc 1 time 46.90481114387512
End of cycle, master time for 35 iters 46.94182705879211
sec, Eval/s 14547.64423942667
End of minim, proc 3 time 46.94584488868713
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
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End of minim, proc 2 time 94.22003102302551
End of minim, proc 3 time 94.22006702423096
End of cycle, master time for 33 iters 44.29205012321472
sec, Eval/s 15190.33321167856
End of minim, proc 1 time 94.22684407234192
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 127.9312858581543
End of minim, proc 1 time 127.9364590644836
End of minim, proc 2 time 127.9466900825500
End of cycle, master time for 23 iters 30.67135095596313
sec, Eval/s 15184.59361860786
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
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UPDATING 100 100
End of minim, proc 3 time 154.8700199127197
End of minim, proc 2 time 154.8706681728363
End of cycle, master time for 18 iters 23.92139101028442
sec, Eval/s 15038.67395693402
End of minim, proc 1 time 154.8739390373230
UPDATING 3 4
End of RUN, master time 154.8786981105804 sec, Eval/s
14960.29491638472
CG processor 2 is finishing work.
CG processor 1 is finishing work.
CG processor 0 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= -200.13484
Emin= -200.13484
Emin= -200.13484
Emin= -200.13484
difference .00002 from reference emin -200.13486
difference .00002 from reference emin -200.13486
difference .00002 from reference emin -200.13486
difference .00002 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 64783 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 77615 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 134045 m 260 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153678 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 192116 m 456 rms 2.13 %NC 53.3 ENERGY -1.99445E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 216927 m 538 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 255136 m 670 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 260798 m 695 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 281510 m 764 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 365042 m 1043 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 397056 m 1147 rms 3.28 %NC 46.7 ENERGY -1.99686E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 408148 m 1192 rms 3.28 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 435060 m 1287 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 442637 m 1311 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 482240 m 1461 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 501381 m 1529 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 712643 m 2303 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 716354 m 2316 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 809847 m 2468 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 835837 m 2551 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 895062 m 2720 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 914259 m 2767 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 934808 m 2815 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 64783 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 77615 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 134045 m 260 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153678 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 192116 m 456 rms 2.13 %NC 53.3 ENERGY -1.99445E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 216927 m 538 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 255136 m 670 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 260798 m 695 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 281510 m 764 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 365042 m 1043 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 397056 m 1147 rms 3.28 %NC 46.7 ENERGY -1.99686E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 408148 m 1192 rms 3.28 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 435060 m 1287 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 442637 m 1311 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 482240 m 1461 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 501381 m 1529 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 712643 m 2303 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 716354 m 2316 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 809847 m 2468 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 835837 m 2551 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 895062 m 2720 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 914259 m 2767 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 934808 m 2815 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 64783 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 77615 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 134045 m 260 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153678 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 192116 m 456 rms 2.13 %NC 53.3 ENERGY -1.99445E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 216927 m 538 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 255136 m 670 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 260798 m 695 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 281510 m 764 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 365042 m 1043 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 397056 m 1147 rms 3.28 %NC 46.7 ENERGY -1.99686E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 408148 m 1192 rms 3.28 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 435060 m 1287 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 442637 m 1311 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 482240 m 1461 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 501381 m 1529 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 712643 m 2303 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 716354 m 2316 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 809847 m 2468 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 835837 m 2551 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 895062 m 2720 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 914259 m 2767 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 934808 m 2815 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 64783 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 77615 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 80526 m 89 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 134045 m 260 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149435 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153678 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 192116 m 456 rms 2.13 %NC 53.3 ENERGY -1.99445E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 216927 m 538 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 255136 m 670 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 260798 m 695 rms 2.13 %NC 53.3 ENERGY -1.99448E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 281510 m 764 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 365042 m 1043 rms 2.13 %NC 53.3 ENERGY -1.99449E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 397056 m 1147 rms 3.28 %NC 46.7 ENERGY -1.99686E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 408148 m 1192 rms 3.28 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 435060 m 1287 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 442637 m 1311 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 482240 m 1461 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 501381 m 1529 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 712643 m 2303 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 716354 m 2316 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 809847 m 2468 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 835837 m 2551 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 895062 m 2720 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 914259 m 2767 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 934808 m 2815 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
