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 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 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 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= 3 iseed= -12238971
MPI: node= 1 iseed= -6119485
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 1 0 0 ivec_start 1
ivec_end 21
Processor 3 0 0 ivec_start 1
ivec_end 21
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
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
[dell15:58291] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:58291] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
UPDATING 100 100
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End of minim, proc 3 time 43.76437997817993
End of minim, proc 2 time 43.76475310325623
End of cycle, master time for 32 iters 43.79943513870239
sec, Eval/s 14103.76636236915
End of minim, proc 1 time 43.80368804931641
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 1 time 71.79690194129944
End of minim, proc 2 time 71.79693412780762
End of minim, proc 3 time 71.83771896362305
End of cycle, master time for 19 iters 25.06316995620728
sec, Eval/s 15269.45716238972
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 1 time 102.6218290328979
End of minim, proc 3 time 102.6218550205231
End of minim, proc 2 time 102.6568241119385
End of cycle, master time for 21 iters 27.77993297576904
sec, Eval/s 15244.16924869404
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
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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 2 time 144.4797160625458
End of minim, proc 3 time 144.4832689762115
End of cycle, master time for 30 iters 38.77756404876709
sec, Eval/s 15212.94631241170
End of minim, proc 1 time 144.4834060668945
UPDATING 3 4
End of RUN, master time 144.4878101348877 sec, Eval/s
14878.00249718741
CG processor 2 is finishing work.
CG processor 0 is finishing work.
CG processor 3 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= -200.13485
Emin= -200.13485
Emin= -200.13485
Emin= -200.13485
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 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 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 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 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 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144407 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 164298 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 192526 m 445 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 194581 m 450 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 201540 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 219947 m 525 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 252427 m 621 rms 2.48 %NC 46.7 ENERGY -1.98202E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 260682 m 648 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 279674 m 724 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 316340 m 835 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 321844 m 851 rms 2.23 %NC 46.7 ENERGY -1.98813E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 355526 m 909 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 393923 m 1034 rms 2.23 %NC 53.3 ENERGY -1.99081E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 417050 m 1105 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 447166 m 1208 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 450602 m 1217 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 475773 m 1320 rms 3.28 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 496666 m 1394 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 505471 m 1431 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 524400 m 1492 rms 3.29 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 563028 m 1622 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 604084 m 1764 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 608441 m 1783 rms 3.50 %NC 46.7 ENERGY -1.99833E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 626954 m 1860 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 630654 m 1873 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 654242 m 1951 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 658333 m 1965 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 662250 m 1979 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 750207 m 2105 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 771474 m 2156 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 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 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 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 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144407 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 164298 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 192526 m 445 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 194581 m 450 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 201540 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 219947 m 525 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 252427 m 621 rms 2.48 %NC 46.7 ENERGY -1.98202E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 260682 m 648 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 279674 m 724 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 316340 m 835 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 321844 m 851 rms 2.23 %NC 46.7 ENERGY -1.98813E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 355526 m 909 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 393923 m 1034 rms 2.23 %NC 53.3 ENERGY -1.99081E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 417050 m 1105 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 447166 m 1208 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 450602 m 1217 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 475773 m 1320 rms 3.28 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 496666 m 1394 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 505471 m 1431 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 524400 m 1492 rms 3.29 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 563028 m 1622 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 604084 m 1764 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 608441 m 1783 rms 3.50 %NC 46.7 ENERGY -1.99833E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 626954 m 1860 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 630654 m 1873 rms 3.38 %NC 46.7 ENERGY -2.00134E+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@042.pdb:REMARK GM 42 e 654242 m 1951 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 658333 m 1965 rms 3.38 %NC 46.7 ENERGY -2.00135E+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@044.pdb:REMARK GM 44 e 662250 m 1979 rms 3.38 %NC 46.7 ENERGY -2.00135E+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@045.pdb:REMARK GM 45 e 750207 m 2105 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 771474 m 2156 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@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 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 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 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144407 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 164298 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 192526 m 445 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 194581 m 450 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 201540 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 219947 m 525 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 252427 m 621 rms 2.48 %NC 46.7 ENERGY -1.98202E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 260682 m 648 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 279674 m 724 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 316340 m 835 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 321844 m 851 rms 2.23 %NC 46.7 ENERGY -1.98813E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 355526 m 909 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 393923 m 1034 rms 2.23 %NC 53.3 ENERGY -1.99081E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 417050 m 1105 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 447166 m 1208 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 450602 m 1217 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 475773 m 1320 rms 3.28 %NC 46.7 ENERGY -1.99801E+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@034.pdb:REMARK GM 34 e 496666 m 1394 rms 3.29 %NC 46.7 ENERGY -1.99801E+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@035.pdb:REMARK GM 35 e 505471 m 1431 rms 3.28 %NC 46.7 ENERGY -1.99802E+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@036.pdb:REMARK GM 36 e 524400 m 1492 rms 3.29 %NC 46.7 ENERGY -1.99802E+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@037.pdb:REMARK GM 37 e 563028 m 1622 rms 3.28 %NC 46.7 ENERGY -1.99802E+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@038.pdb:REMARK GM 38 e 604084 m 1764 rms 3.28 %NC 46.7 ENERGY -1.99802E+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@039.pdb:REMARK GM 39 e 608441 m 1783 rms 3.50 %NC 46.7 ENERGY -1.99833E+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@040.pdb:REMARK GM 40 e 626954 m 1860 rms 3.38 %NC 46.7 ENERGY -2.00134E+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@041.pdb:REMARK GM 41 e 630654 m 1873 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 654242 m 1951 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 132987 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 144407 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 658333 m 1965 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 154193 m 319 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 662250 m 1979 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 160998 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 164298 m 361 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 750207 m 2105 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 192526 m 445 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 194581 m 450 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 771474 m 2156 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 201540 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 219947 m 525 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 252427 m 621 rms 2.48 %NC 46.7 ENERGY -1.98202E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 260682 m 648 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 279674 m 724 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 316340 m 835 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 321844 m 851 rms 2.23 %NC 46.7 ENERGY -1.98813E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 355526 m 909 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 393923 m 1034 rms 2.23 %NC 53.3 ENERGY -1.99081E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 417050 m 1105 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 447166 m 1208 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 450602 m 1217 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 475773 m 1320 rms 3.28 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 496666 m 1394 rms 3.29 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 505471 m 1431 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 524400 m 1492 rms 3.29 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 563028 m 1622 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 604084 m 1764 rms 3.28 %NC 46.7 ENERGY -1.99802E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 608441 m 1783 rms 3.50 %NC 46.7 ENERGY -1.99833E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 626954 m 1860 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 630654 m 1873 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 654242 m 1951 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 658333 m 1965 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 662250 m 1979 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 750207 m 2105 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 771474 m 2156 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
147.81s
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