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 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 initialize 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
0 size of FG_COMM1 1
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Inside initializeInside initialize 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 initialize MPI: node= 3 iseed= -12238971
MPI: node= 1 iseed= -6119485
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= 0 iseed= -3059742
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 0 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
UPDATING 97 97
[dell15:179850] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:179850] 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 38.17917299270630
End of minim, proc 2 time 38.18728089332581
End of minim, proc 1 time 38.22576308250427
End of cycle, master time for 26 iters 38.22188997268677
sec, Eval/s 13050.63669945299
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
UPDATING 100 100
End of minim, proc 2 time 83.70925998687744
End of minim, proc 3 time 83.70924592018127
End of cycle, master time for 23 iters 41.56733489036560
sec, Eval/s 11234.59084475100
End of minim, proc 1 time 83.76247215270996
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
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UPDATING 100 100
End of minim, proc 3 time 135.1754848957062
End of minim, proc 2 time 135.1754100322723
End of cycle, master time for 24 iters 46.39484190940857
sec, Eval/s 10461.11981473475
End of minim, proc 1 time 135.2060790061951
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
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UPDATING 100 100
UPDATING 100 100
End of minim, proc 1 time 205.2780451774597
End of minim, proc 2 time 205.2779080867767
End of cycle, master time for 36 iters 66.06991291046143
sec, Eval/s 11175.25311408562
End of minim, proc 3 time 205.2850689888000
UPDATING 3 4
CG processor 2 is finishing work.
End of RUN, master time 205.2898659706116 sec, Eval/s
11327.15922924752
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= -200.13482
Emin= -200.13482
Emin= -200.13482
Emin= -200.13482
difference .00004 from reference emin -200.13486
difference .00004 from reference emin -200.13486
difference .00004 from reference emin -200.13486
difference .00004 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 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 85526 m 107 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 132118 m 254 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 143893 m 294 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153644 m 317 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161188 m 348 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 164453 m 363 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 192195 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 194726 m 451 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 201319 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 220577 m 527 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 260625 m 647 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 279449 m 720 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 316088 m 832 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 322353 m 849 rms 2.24 %NC 46.7 ENERGY -1.98811E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 355459 m 908 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 393797 m 1032 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 416260 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 432882 m 1172 rms 3.33 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 449775 m 1217 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 482739 m 1350 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 504101 m 1427 rms 3.44 %NC 46.7 ENERGY -1.99817E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 517548 m 1467 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 520910 m 1476 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 524447 m 1492 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 543774 m 1561 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 610879 m 1630 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 648581 m 1751 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 689539 m 1867 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 798111 m 2181 rms 3.49 %NC 46.7 ENERGY -1.99835E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 809829 m 2217 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 815175 m 2245 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 823713 m 2261 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 825637 m 2268 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 833433 m 2289 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1055772 m 2884 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1124644 m 2937 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1145814 m 2976 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1164767 m 3025 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 1206324 m 3134 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 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 85526 m 107 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 132118 m 254 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 143893 m 294 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153644 m 317 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161188 m 348 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 164453 m 363 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 192195 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 194726 m 451 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 201319 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 220577 m 527 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 260625 m 647 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 279449 m 720 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 316088 m 832 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 322353 m 849 rms 2.24 %NC 46.7 ENERGY -1.98811E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 355459 m 908 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 393797 m 1032 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 416260 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 432882 m 1172 rms 3.33 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 449775 m 1217 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 482739 m 1350 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 504101 m 1427 rms 3.44 %NC 46.7 ENERGY -1.99817E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 517548 m 1467 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 520910 m 1476 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 524447 m 1492 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 543774 m 1561 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 610879 m 1630 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 648581 m 1751 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 689539 m 1867 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 798111 m 2181 rms 3.49 %NC 46.7 ENERGY -1.99835E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 809829 m 2217 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 815175 m 2245 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 823713 m 2261 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 825637 m 2268 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 833433 m 2289 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1055772 m 2884 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1124644 m 2937 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1145814 m 2976 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1164767 m 3025 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 1206324 m 3134 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 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 85526 m 107 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 132118 m 254 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 143893 m 294 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153644 m 317 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161188 m 348 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 164453 m 363 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 192195 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 194726 m 451 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 201319 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 220577 m 527 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 260625 m 647 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 279449 m 720 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 316088 m 832 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 322353 m 849 rms 2.24 %NC 46.7 ENERGY -1.98811E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 355459 m 908 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 393797 m 1032 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 416260 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 432882 m 1172 rms 3.33 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 449775 m 1217 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 482739 m 1350 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 504101 m 1427 rms 3.44 %NC 46.7 ENERGY -1.99817E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 517548 m 1467 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 520910 m 1476 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 524447 m 1492 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 543774 m 1561 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 610879 m 1630 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 648581 m 1751 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 689539 m 1867 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 798111 m 2181 rms 3.49 %NC 46.7 ENERGY -1.99835E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 809829 m 2217 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 815175 m 2245 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 823713 m 2261 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 825637 m 2268 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 833433 m 2289 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1055772 m 2884 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1124644 m 2937 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1145814 m 2976 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1164767 m 3025 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 1206324 m 3134 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 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 85526 m 107 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 132118 m 254 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 143893 m 294 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153644 m 317 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161188 m 348 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 164453 m 363 rms 2.51 %NC 53.3 ENERGY -1.90304E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 192195 m 444 rms 2.51 %NC 46.7 ENERGY -1.90305E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 194726 m 451 rms 2.51 %NC 46.7 ENERGY -1.94878E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 201319 m 478 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 220577 m 527 rms 2.51 %NC 46.7 ENERGY -1.94880E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 222421 m 539 rms 2.48 %NC 46.7 ENERGY -1.98201E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 260625 m 647 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 279449 m 720 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 316088 m 832 rms 2.48 %NC 46.7 ENERGY -1.98203E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 322353 m 849 rms 2.24 %NC 46.7 ENERGY -1.98811E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 355459 m 908 rms 2.24 %NC 46.7 ENERGY -1.98814E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 393797 m 1032 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 416260 m 1103 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 432882 m 1172 rms 3.33 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 449775 m 1217 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 482739 m 1350 rms 3.32 %NC 46.7 ENERGY -1.99797E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 504101 m 1427 rms 3.44 %NC 46.7 ENERGY -1.99817E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 517548 m 1467 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 520910 m 1476 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 524447 m 1492 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 543774 m 1561 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 610879 m 1630 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 648581 m 1751 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 689539 m 1867 rms 3.44 %NC 46.7 ENERGY -1.99819E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 798111 m 2181 rms 3.49 %NC 46.7 ENERGY -1.99835E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 809829 m 2217 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 815175 m 2245 rms 3.38 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 823713 m 2261 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 825637 m 2268 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 833433 m 2289 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1055772 m 2884 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1124644 m 2937 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1145814 m 2976 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1164767 m 3025 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 1206324 m 3134 rms 3.38 %NC 46.7 ENERGY -2.00135E+02