Thursday, July 04 2024 18:51:06
UNRES
1.49s
Show Command Line
Show Test Time Graph
Show Failing/Passing Graph
CTEST_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
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
MAIN: nnt= 1 nct= 48
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
STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
THERE ARE 5 FAMILIES OF CONFORMATIONS
wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -1.40347E+01 AVE RMSD 9.97
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.11237E+01 RMS 10.29
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -1.35317E+01 AVE RMSD10.02
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.11230E+01 RMS 10.15
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -1.30140E+01 AVE RMSD 2.67
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.11211E+01 RMS 2.40
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -1.24950E+01 AVE RMSD 9.88
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.10769E+01 RMS 9.95
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -1.24905E+01 AVE RMSD 8.67
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.10124E+01 RMS 8.07
