0.49s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: homology Linux-ifort-MPI E0LL2Y
(dell15)
on 2023-05-29 04:01:06
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a
Show Command Line/bin/sh "/tmp/cdash/homology/build/source/unres-dock/cluster_wham_mpi_E0LL2Y.sh" "cluster" "2"
Show Test Time Graph
Show Failing/Passing Graph
Test outputCTEST_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
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
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
Call Read_Bridge.
ns= 0
NNT= 1 NCT= 49
NNT= 1 NCT= 49
MAIN: nnt= 1 nct= 48
MAIN: nnt= 1 nct= 48
Calculating RMS i= 100
End of distance computation
Calculating RMS i= 100
End of distance computation
********** Program terminated normally.
********** Program terminated normally.
THERE ARE 5 FAMILIES OF CONFORMATIONS
wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY 6.42096E-01 AVE RMSD 9.32
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.56543E+00 RMS 9.56
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 6.90148E-01 AVE RMSD 9.34
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.55893E+00 RMS 9.77
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 8.21600E-01 AVE RMSD 9.90
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.55972E+00 RMS 9.90
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 1.14270E+00 AVE RMSD 4.39
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.61650E+00 RMS 5.30
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 1.96546E+00 AVE RMSD 9.72
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.57538E+00 RMS 9.90
