Sunday, September 22 2024 17:32:10
UNRES
1.54s
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
End of distance computation
Calculating RMS i= 200
Calculating RMS i= 300
Calculating RMS i= 400
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 -1.36685E+01 AVE RMSD 9.88
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.09787E+01 RMS 10.13
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -1.33753E+01 AVE RMSD10.02
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.09816E+01 RMS 9.86
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -1.25029E+01 AVE RMSD 8.71
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.09370E+01 RMS 8.07
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -1.23991E+01 AVE RMSD 3.30
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.09743E+01 RMS 2.61
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -1.22278E+01 AVE RMSD 9.73
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.09515E+01 RMS 9.72
