0.58s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: homology Linux-gfortan-MPI E0LL2Y
(dell15)
on 2023-12-31 03:25:08
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
indpdb= 0 pdbref= F
49
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
10 6 6 16 12 1 1 18 14 12 1 12 3 12 11 5 18 9 8 1
Call Read_Bridge.
ns= 0
NNT= 1 NCT= 49
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
STOP STOP ********** Program terminated normally.
********** Program terminated normally.
THERE ARE 5 FAMILIES OF CONFORMATIONS
wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY 4.66450E-01 AVE RMSD 4.59
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.34297E+00 RMS 3.38
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 6.76772E-01 AVE RMSD 7.61
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.34799E+00 RMS 7.63
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 8.43741E-01 AVE RMSD 9.50
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.34739E+00 RMS 8.93
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 1.97061E+00 AVE RMSD10.11
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.98741E+00 RMS 10.55
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 2.40633E+00 AVE RMSD10.92
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.77870E+00 RMS 10.83