Friday, September 27 2024 11:24:37
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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 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
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
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
Inside initializeInside initializeInside initializeInside initialize MPI: node= 2 iseed= -9179228
MPI: node= 0 iseed= -3059742
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
MPI: node= 1 iseed= -6119485
MPI: node= 3 iseed= -12238971
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
Call Read_Bridge.
ns= 0
ns= 0
Processor 1 0 0 ivec_start 1
ivec_end 21
Processor 3 0 0 ivec_start 1
ivec_end 21
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
[dell15:127088] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:127088] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
UPDATING 97 97
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End of minim, proc 3 time 57.79428100585938
End of minim, proc 1 time 57.80047678947449
End of cycle, master time for 40 iters 57.80218005180359
sec, Eval/s 13574.76481504294
End of minim, proc 2 time 57.80616497993469
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 93.07734894752502
End of minim, proc 1 time 93.07737994194031
End of cycle, master time for 24 iters 31.89097309112549
sec, Eval/s 14554.33795242713
End of minim, proc 3 time 93.07794094085693
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 126.7474508285522
End of minim, proc 3 time 126.7474849224091
End of minim, proc 2 time 126.7475090026855
End of cycle, master time for 24 iters 30.64497900009155
sec, Eval/s 15302.76786936610
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 156.8526849746704
End of minim, proc 3 time 156.8527190685272
End of cycle, master time for 21 iters 27.09386587142944
sec, Eval/s 15201.52206977285
End of minim, proc 1 time 156.8527398109436
UPDATING 3 4
End of RUN, master time 156.8651649951935 sec, Eval/s
14442.16757792858
CG processor 2 is finishing work.
CG processor 3 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 4675 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 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64583 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 85425 m 106 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 93282 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 107822 m 189 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 133618 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153830 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161033 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 167644 m 372 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 197683 m 477 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 205610 m 500 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 231409 m 589 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 235582 m 603 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 255328 m 676 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 266018 m 709 rms 2.63 %NC 53.3 ENERGY -1.92675E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 267021 m 713 rms 2.40 %NC 46.7 ENERGY -1.96536E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4675 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 287391 m 777 rms 2.41 %NC 46.7 ENERGY -1.96537E+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@025.pdb:REMARK GM 25 e 291667 m 788 rms 2.41 %NC 46.7 ENERGY -1.96537E+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@026.pdb:REMARK GM 26 e 302324 m 824 rms 2.22 %NC 53.3 ENERGY -1.99008E+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@027.pdb:REMARK GM 27 e 337929 m 921 rms 2.22 %NC 53.3 ENERGY -1.99009E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64583 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 378480 m 1034 rms 2.22 %NC 53.3 ENERGY -1.99009E+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@029.pdb:REMARK GM 29 e 388474 m 1059 rms 3.38 %NC 46.7 ENERGY -1.99986E+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 93282 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 398958 m 1102 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 413357 m 1142 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 107822 m 189 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 417985 m 1152 rms 3.38 %NC 46.7 ENERGY -1.99987E+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@033.pdb:REMARK GM 33 e 438882 m 1227 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 133618 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 479894 m 1350 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153830 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 520956 m 1470 rms 3.38 %NC 46.7 ENERGY -1.99988E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161033 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 540678 m 1532 rms 3.38 %NC 46.7 ENERGY -1.99988E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 167644 m 372 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 579037 m 1653 rms 3.38 %NC 46.7 ENERGY -1.99988E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 197683 m 477 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 675900 m 1990 rms 3.38 %NC 46.7 ENERGY -1.99988E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 205610 m 500 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 724892 m 2182 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 231409 m 589 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 749628 m 2264 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 235582 m 603 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 753020 m 2276 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 255328 m 676 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 773013 m 2345 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 266018 m 709 rms 2.63 %NC 53.3 ENERGY -1.92675E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 829600 m 2542 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 267021 m 713 rms 2.40 %NC 46.7 ENERGY -1.96536E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 287391 m 777 rms 2.41 %NC 46.7 ENERGY -1.96537E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 934540 m 2728 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 291667 m 788 rms 2.41 %NC 46.7 ENERGY -1.96537E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 954692 m 2802 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 302324 m 824 rms 2.22 %NC 53.3 ENERGY -1.99008E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1048752 m 3117 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 337929 m 921 rms 2.22 %NC 53.3 ENERGY -1.99009E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1072865 m 3200 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 378480 m 1034 rms 2.22 %NC 53.3 ENERGY -1.99009E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1091919 m 3265 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 388474 m 1059 rms 3.38 %NC 46.7 ENERGY -1.99986E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1320292 m 3984 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 398958 m 1102 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 1338929 m 4057 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 413357 m 1142 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 417985 m 1152 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 438882 m 1227 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 479894 m 1350 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 520956 m 1470 rms 3.38 %NC 46.7 ENERGY -1.99988E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 540678 m 1532 rms 3.38 %NC 46.7 ENERGY -1.99988E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 579037 m 1653 rms 3.38 %NC 46.7 ENERGY -1.99988E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 675900 m 1990 rms 3.38 %NC 46.7 ENERGY -1.99988E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 724892 m 2182 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 749628 m 2264 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 753020 m 2276 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 773013 m 2345 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 829600 m 2542 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 934540 m 2728 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 954692 m 2802 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1048752 m 3117 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1072865 m 3200 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1091919 m 3265 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1320292 m 3984 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 1338929 m 4057 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4675 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 52555 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64583 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@001.pdb:REMARK GM 1 e 4675 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+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@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@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 93282 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+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@010.pdb:REMARK GM 10 e 107822 m 189 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64583 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@011.pdb:REMARK GM 11 e 132118 m 254 rms 2.30 %NC 46.7 ENERGY -1.88697E+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@012.pdb:REMARK GM 12 e 133618 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+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 93282 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153830 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161033 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 107822 m 189 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@016.pdb:REMARK GM 16 e 167644 m 372 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 133618 m 258 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 197683 m 477 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 144133 m 295 rms 2.50 %NC 46.7 ENERGY -1.89895E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 205610 m 500 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153830 m 318 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 231409 m 589 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161033 m 346 rms 2.50 %NC 46.7 ENERGY -1.89896E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 167644 m 372 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 235582 m 603 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 255328 m 676 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 197683 m 477 rms 2.57 %NC 53.3 ENERGY -1.90737E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 266018 m 709 rms 2.63 %NC 53.3 ENERGY -1.92675E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 205610 m 500 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 231409 m 589 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 267021 m 713 rms 2.40 %NC 46.7 ENERGY -1.96536E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 287391 m 777 rms 2.41 %NC 46.7 ENERGY -1.96537E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 291667 m 788 rms 2.41 %NC 46.7 ENERGY -1.96537E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 235582 m 603 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 255328 m 676 rms 2.56 %NC 46.7 ENERGY -1.91441E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 266018 m 709 rms 2.63 %NC 53.3 ENERGY -1.92675E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 267021 m 713 rms 2.40 %NC 46.7 ENERGY -1.96536E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 287391 m 777 rms 2.41 %NC 46.7 ENERGY -1.96537E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 291667 m 788 rms 2.41 %NC 46.7 ENERGY -1.96537E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 302324 m 824 rms 2.22 %NC 53.3 ENERGY -1.99008E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 337929 m 921 rms 2.22 %NC 53.3 ENERGY -1.99009E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 378480 m 1034 rms 2.22 %NC 53.3 ENERGY -1.99009E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 302324 m 824 rms 2.22 %NC 53.3 ENERGY -1.99008E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 337929 m 921 rms 2.22 %NC 53.3 ENERGY -1.99009E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 378480 m 1034 rms 2.22 %NC 53.3 ENERGY -1.99009E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 388474 m 1059 rms 3.38 %NC 46.7 ENERGY -1.99986E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 398958 m 1102 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 388474 m 1059 rms 3.38 %NC 46.7 ENERGY -1.99986E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 398958 m 1102 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 413357 m 1142 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 417985 m 1152 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 413357 m 1142 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 417985 m 1152 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 438882 m 1227 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 479894 m 1350 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 520956 m 1470 rms 3.38 %NC 46.7 ENERGY -1.99988E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 438882 m 1227 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 479894 m 1350 rms 3.38 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 520956 m 1470 rms 3.38 %NC 46.7 ENERGY -1.99988E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 540678 m 1532 rms 3.38 %NC 46.7 ENERGY -1.99988E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 579037 m 1653 rms 3.38 %NC 46.7 ENERGY -1.99988E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 675900 m 1990 rms 3.38 %NC 46.7 ENERGY -1.99988E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 540678 m 1532 rms 3.38 %NC 46.7 ENERGY -1.99988E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 579037 m 1653 rms 3.38 %NC 46.7 ENERGY -1.99988E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 675900 m 1990 rms 3.38 %NC 46.7 ENERGY -1.99988E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 724892 m 2182 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 749628 m 2264 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 753020 m 2276 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 773013 m 2345 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 724892 m 2182 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 749628 m 2264 rms 3.39 %NC 46.7 ENERGY -2.00134E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 753020 m 2276 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 773013 m 2345 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 829600 m 2542 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 829600 m 2542 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 934540 m 2728 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 954692 m 2802 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1048752 m 3117 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1072865 m 3200 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1091919 m 3265 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1320292 m 3984 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 934540 m 2728 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 954692 m 2802 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1048752 m 3117 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1072865 m 3200 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 1091919 m 3265 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 1338929 m 4057 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 1320292 m 3984 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 1338929 m 4057 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
