CDash : UNRES

0.51s
Test: CLUSTER_WHAM_M_remd (Passed)
Build: homology Linux-gfortan-MPI E0LL2Y (m10) on 2024-10-26 03:27:07
Processors	[Graph]1
Show Command Line
Show Test Time Graph
Show Failing/Passing Graph
Test output
CTEST_FULL_OUTPUT
 indpdb=           0  pdbref= T
          22
  25  14   5   8   4  13   7   5  19  16  10  10  20  12  12  10  18  20  20  20
  12  25
 Call Read_Bridge.
 ns=           0
 NNT=           1  NCT=          22
 MAIN: nnt=           2  nct=          21
 indpdb=           0  pdbref= T
          22
  25  14   5   8   4  13   7   5  19  16  10  10  20  12  12  10  18  20  20  20
  12  25
 Call Read_Bridge.
 ns=           0
 NNT=           1  NCT=          22
 MAIN: nnt=           2  nct=          21
 Calculating RMS i=         100
 Calculating RMS i=         200
 Calculating RMS i=         300
 Calculating RMS i=         100
 Calculating RMS i=         400
 Calculating RMS i=         500
End of distance computation
 Calculating RMS i=         200
 Calculating RMS i=         300
 Calculating RMS i=         400
 Calculating RMS i=         500
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
1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER    1 FREE ENERGY   6.65920E-01 AVE RMSD 3.31
1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering      ENERGY     3.11774E+00 RMS    3.55
1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   8.16768E-01 AVE RMSD 2.71
1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering      ENERGY     3.12937E+00 RMS    2.78
1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   9.18238E-01 AVE RMSD 3.24
1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering      ENERGY     3.13170E+00 RMS    3.08
1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   9.70183E-01 AVE RMSD 2.85
1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering      ENERGY     3.11765E+00 RMS    3.03
1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   1.33482E+00 AVE RMSD 5.18
1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering      ENERGY     3.11953E+00 RMS    4.47