0.47s
Test: UNRES_M_DOCK_cluster
(Passed)
Build: homology Linux-gfortan-MPI E0LL2Y
(dell15)
on 2023-05-29 03:25:05
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
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
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
Calculating RMS i= 100
Calculating RMS i= 100
End of distance computation
End of distance computation
STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
THERE ARE 5 FAMILIES OF CONFORMATIONS
wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY 6.01905E-01 AVE RMSD 4.50
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.58606E+00 RMS 3.19
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 7.04170E-01 AVE RMSD 7.58
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.58667E+00 RMS 7.63
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 7.69752E-01 AVE RMSD 9.61
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.58813E+00 RMS 9.11
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 1.43412E+00 AVE RMSD10.85
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.63384E+00 RMS 11.39
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 1.75517E+00 AVE RMSD 9.02
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.71749E+00 RMS 7.81
