CDash : UNRES

0.28s

Test: UNRES_M_DOCK_cluster (Passed)
Build: homology Linux-gfortan-MPI E0LL2Y (m10) on 2024-10-30 03:27:07

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Test output

CTEST_FULL_OUTPUT
 indpdb=           0  pdbref= F
          49
  10   6   6  16  12   1   1  18  14  12   1  12   3  12  11   5  18   9   8   1
  16  12  25  25  14  12   5  18   9   1  10  20   9   5   2  16   2   5  18   6
   9   1  20  14  10   3  14  12  25
 Call Read_Bridge.
 ns=           0
 NNT=           1  NCT=          49
 indpdb=           0  pdbref= F
          49
  10   6   6  16  12   1   1  18  14  12   1  12   3  12  11   5  18   9   8   1
  16  12  25  25  14  12   5  18   9   1  10  20   9   5   2  16   2   5  18   6
   9   1  20  14  10   3  14  12  25
 Call Read_Bridge.
 ns=           0
 NNT=           1  NCT=          49
 MAIN: nnt=           1  nct=          48
 MAIN: nnt=           1  nct=          48
 Calculating RMS i=         100
 Calculating RMS i=         100
End of distance computation
End of distance computation
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_DENORMAL
STOP ********** Program terminated normally.
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_DENORMAL
STOP ********** Program terminated normally.
THERE ARE    5 FAMILIES OF CONFORMATIONS
wham_T280K_0001.pdb:REMARK CLUSTER    1 FREE ENERGY   1.38142E-01 AVE RMSD10.19
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     2.42238E+00 RMS   10.31
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   1.50032E+00 AVE RMSD10.94
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     2.42846E+00 RMS   11.13
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   1.62930E+00 AVE RMSD 8.44
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     2.62610E+00 RMS    8.14
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   1.65912E+00 AVE RMSD 9.54
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     2.65962E+00 RMS    9.88
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   1.81373E+00 AVE RMSD 9.86
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     2.55235E+00 RMS    9.67