Execution Time0.83s

Test: CLUSTER_WHAM_M_remd (Passed)
Build: homology Linux-ifort-MPI E0LL2Y (dell15) on 2020-03-06 04:04:38
Repository revision: 86a7a0fff3fb6d1c18791c4d2723ee3173d2cf65


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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
 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
 Call Read_Bridge.
 ns=           0
 NNT=           1  NCT=          22
 MAIN: nnt=           2  nct=          21
 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
 Calculating RMS i=         200
 Calculating RMS i=         300
 Calculating RMS i=         400
 Calculating RMS i=         500
End of distance computation
End of distance computation
********** Program terminated normally.
********** Program terminated normally.
THERE ARE    5 FAMILIES OF CONFORMATIONS
1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER    1 FREE ENERGY  -3.65540E+00 AVE RMSD 3.31
1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering      ENERGY    -1.20358E+00 RMS    3.55
1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY  -3.50455E+00 AVE RMSD 2.71
1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering      ENERGY    -1.19195E+00 RMS    2.78
1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY  -3.40308E+00 AVE RMSD 3.24
1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering      ENERGY    -1.18961E+00 RMS    3.08
1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY  -3.35113E+00 AVE RMSD 2.85
1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering      ENERGY    -1.20366E+00 RMS    3.03
1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY  -2.98650E+00 AVE RMSD 5.18
1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering      ENERGY    -1.20178E+00 RMS    4.47