Sunday, October 13 2024 10:19:40
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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 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
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
Inside initializeInside initializeInside initializeInside initialize MPI: node= 0 iseed= -3059742
MPI: node= 2 iseed= -9179228
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
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.
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
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
[dell15:43911] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:43911] 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 2 time 45.92697405815125
End of minim, proc 3 time 45.92920517921448
End of cycle, master time for 33 iters 45.92889213562012
sec, Eval/s 14075.78040617747
End of minim, proc 1 time 45.93299698829651
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 78.69554185867310
End of minim, proc 3 time 78.69556021690369
End of cycle, master time for 23 iters 29.78829503059387
sec, Eval/s 15175.39018381972
End of minim, proc 2 time 78.70341801643372
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 107.7979109287262
End of cycle, master time for 20 iters 26.01961398124695
End of minim, proc 2 time 107.7979481220245
End of minim, proc 3 time 107.7979581356049
sec, Eval/s 15167.82686647246
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 148.6808910369873
End of cycle, master time for 29 iters 37.89697813987732
sec, Eval/s 15202.42584708273
End of minim, proc 2 time 148.6809141635895
End of minim, proc 3 time 148.6809260845184
UPDATING 3 4
End of RUN, master time 148.6855809688568 sec, Eval/s
14831.09515819081
CG processor 0 is finishing work.
CG processor 2 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= -200.00122
Emin= -200.00122
Emin= -200.00122
Emin= -200.00122
difference .13364 from reference emin -200.13486
difference .13364 from reference emin -200.13486
difference .13364 from reference emin -200.13486
difference .13364 from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4984 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 5877 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 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 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 132371 m 256 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 153678 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162108 m 356 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 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204379 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 207390 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226614 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 232089 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234649 m 583 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 240533 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 260375 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 299707 m 807 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 306052 m 827 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 306521 m 829 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 322951 m 884 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 335644 m 923 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 344798 m 955 rms 2.92 %NC 46.7 ENERGY -1.92727E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 353696 m 981 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 371149 m 1038 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 373370 m 1046 rms 2.51 %NC 46.7 ENERGY -1.98806E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 382214 m 1078 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 393098 m 1103 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 404342 m 1139 rms 2.23 %NC 53.3 ENERGY -1.99085E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 421332 m 1204 rms 2.22 %NC 53.3 ENERGY -1.99086E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 424969 m 1216 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 442163 m 1276 rms 3.28 %NC 46.7 ENERGY -1.99885E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 462294 m 1356 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 473639 m 1389 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 482254 m 1411 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 521132 m 1550 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 561940 m 1683 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 580491 m 1750 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 641016 m 1988 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 660662 m 2066 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 671570 m 2097 rms 3.33 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 673533 m 2110 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 691287 m 2180 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 757029 m 2259 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 797730 m 2377 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 818303 m 2431 rms 3.33 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 837970 m 2481 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 856662 m 2548 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e 875340 m 2604 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e 1174629 m 3551 rms 3.28 %NC 46.7 ENERGY -2.00000E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e 1249777 m 3637 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e 1254941 m 3651 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@061.pdb:REMARK GM 61 e 1256696 m 3662 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@062.pdb:REMARK GM 62 e 1298231 m 3762 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@063.pdb:REMARK GM 63 e 1629416 m 4689 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@064.pdb:REMARK GM 64 e 1737800 m 4868 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4984 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 5877 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 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 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 132371 m 256 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 153678 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162108 m 356 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 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204379 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 207390 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226614 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 232089 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234649 m 583 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 240533 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 260375 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 299707 m 807 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 306052 m 827 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 306521 m 829 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 322951 m 884 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 335644 m 923 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 344798 m 955 rms 2.92 %NC 46.7 ENERGY -1.92727E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 353696 m 981 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 371149 m 1038 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 373370 m 1046 rms 2.51 %NC 46.7 ENERGY -1.98806E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 382214 m 1078 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 393098 m 1103 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 404342 m 1139 rms 2.23 %NC 53.3 ENERGY -1.99085E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 421332 m 1204 rms 2.22 %NC 53.3 ENERGY -1.99086E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 424969 m 1216 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 442163 m 1276 rms 3.28 %NC 46.7 ENERGY -1.99885E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4984 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 462294 m 1356 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 5877 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 473639 m 1389 rms 3.28 %NC 46.7 ENERGY -1.99886E+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@043.pdb:REMARK GM 43 e 482254 m 1411 rms 3.28 %NC 46.7 ENERGY -1.99886E+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@044.pdb:REMARK GM 44 e 521132 m 1550 rms 3.28 %NC 46.7 ENERGY -1.99886E+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@045.pdb:REMARK GM 45 e 561940 m 1683 rms 3.28 %NC 46.7 ENERGY -1.99886E+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@046.pdb:REMARK GM 46 e 580491 m 1750 rms 3.28 %NC 46.7 ENERGY -1.99886E+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@047.pdb:REMARK GM 47 e 641016 m 1988 rms 3.32 %NC 46.7 ENERGY -1.99987E+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@048.pdb:REMARK GM 48 e 660662 m 2066 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 671570 m 2097 rms 3.33 %NC 46.7 ENERGY -1.99987E+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@050.pdb:REMARK GM 50 e 673533 m 2110 rms 3.32 %NC 46.7 ENERGY -1.99987E+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@051.pdb:REMARK GM 51 e 691287 m 2180 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 153678 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 757029 m 2259 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 797730 m 2377 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162108 m 356 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 818303 m 2431 rms 3.33 %NC 46.7 ENERGY -1.99987E+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@055.pdb:REMARK GM 55 e 837970 m 2481 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 856662 m 2548 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204379 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e 875340 m 2604 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 207390 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e 1174629 m 3551 rms 3.28 %NC 46.7 ENERGY -2.00000E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226614 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e 1249777 m 3637 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 232089 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e 1254941 m 3651 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234649 m 583 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@061.pdb:REMARK GM 61 e 1256696 m 3662 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 240533 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@062.pdb:REMARK GM 62 e 1298231 m 3762 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 260375 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@063.pdb:REMARK GM 63 e 1629416 m 4689 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 299707 m 807 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@064.pdb:REMARK GM 64 e 1737800 m 4868 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 306052 m 827 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 306521 m 829 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 322951 m 884 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 335644 m 923 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 344798 m 955 rms 2.92 %NC 46.7 ENERGY -1.92727E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 353696 m 981 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 371149 m 1038 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 373370 m 1046 rms 2.51 %NC 46.7 ENERGY -1.98806E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 382214 m 1078 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 393098 m 1103 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 404342 m 1139 rms 2.23 %NC 53.3 ENERGY -1.99085E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 421332 m 1204 rms 2.22 %NC 53.3 ENERGY -1.99086E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 424969 m 1216 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 442163 m 1276 rms 3.28 %NC 46.7 ENERGY -1.99885E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 462294 m 1356 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 473639 m 1389 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 482254 m 1411 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 521132 m 1550 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 561940 m 1683 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 580491 m 1750 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 641016 m 1988 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 660662 m 2066 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 671570 m 2097 rms 3.33 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 673533 m 2110 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 691287 m 2180 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 757029 m 2259 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 797730 m 2377 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 818303 m 2431 rms 3.33 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 837970 m 2481 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 856662 m 2548 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e 875340 m 2604 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e 1174629 m 3551 rms 3.28 %NC 46.7 ENERGY -2.00000E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e 1249777 m 3637 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e 1254941 m 3651 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@061.pdb:REMARK GM 61 e 1256696 m 3662 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@062.pdb:REMARK GM 62 e 1298231 m 3762 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@063.pdb:REMARK GM 63 e 1629416 m 4689 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 4984 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@064.pdb:REMARK GM 64 e 1737800 m 4868 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 5877 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 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 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 132371 m 256 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 153678 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 161648 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 162108 m 356 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 184945 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 204379 m 487 rms 2.13 %NC 60.0 ENERGY -1.91896E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 207390 m 492 rms 2.13 %NC 60.0 ENERGY -1.91901E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 226614 m 562 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 232089 m 575 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 234649 m 583 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 240533 m 608 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 260375 m 678 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 299707 m 807 rms 2.13 %NC 60.0 ENERGY -1.91902E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 306052 m 827 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 306521 m 829 rms 2.13 %NC 53.3 ENERGY -1.91934E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 322951 m 884 rms 2.96 %NC 46.7 ENERGY -1.91940E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 335644 m 923 rms 2.22 %NC 53.3 ENERGY -1.92180E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 344798 m 955 rms 2.92 %NC 46.7 ENERGY -1.92727E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 353696 m 981 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 371149 m 1038 rms 2.96 %NC 46.7 ENERGY -1.94073E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 373370 m 1046 rms 2.51 %NC 46.7 ENERGY -1.98806E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 382214 m 1078 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 393098 m 1103 rms 2.23 %NC 53.3 ENERGY -1.99084E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 404342 m 1139 rms 2.23 %NC 53.3 ENERGY -1.99085E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 421332 m 1204 rms 2.22 %NC 53.3 ENERGY -1.99086E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 424969 m 1216 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 442163 m 1276 rms 3.28 %NC 46.7 ENERGY -1.99885E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 462294 m 1356 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 473639 m 1389 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 482254 m 1411 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 521132 m 1550 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 561940 m 1683 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 580491 m 1750 rms 3.28 %NC 46.7 ENERGY -1.99886E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 641016 m 1988 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@048.pdb:REMARK GM 48 e 660662 m 2066 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@049.pdb:REMARK GM 49 e 671570 m 2097 rms 3.33 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@050.pdb:REMARK GM 50 e 673533 m 2110 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@051.pdb:REMARK GM 51 e 691287 m 2180 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@052.pdb:REMARK GM 52 e 757029 m 2259 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@053.pdb:REMARK GM 53 e 797730 m 2377 rms 3.32 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@054.pdb:REMARK GM 54 e 818303 m 2431 rms 3.33 %NC 46.7 ENERGY -1.99987E+02
1l2y_csa_local_4P@055.pdb:REMARK GM 55 e 837970 m 2481 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@056.pdb:REMARK GM 56 e 856662 m 2548 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@057.pdb:REMARK GM 57 e 875340 m 2604 rms 3.32 %NC 46.7 ENERGY -1.99990E+02
1l2y_csa_local_4P@058.pdb:REMARK GM 58 e 1174629 m 3551 rms 3.28 %NC 46.7 ENERGY -2.00000E+02
1l2y_csa_local_4P@059.pdb:REMARK GM 59 e 1249777 m 3637 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@060.pdb:REMARK GM 60 e 1254941 m 3651 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@061.pdb:REMARK GM 61 e 1256696 m 3662 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@062.pdb:REMARK GM 62 e 1298231 m 3762 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@063.pdb:REMARK GM 63 e 1629416 m 4689 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
1l2y_csa_local_4P@064.pdb:REMARK GM 64 e 1737800 m 4868 rms 3.28 %NC 46.7 ENERGY -2.00001E+02
