Monday, September 23 2024 23:28:53
UNRES
1.30s
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
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
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
Calculating RMS i= 200
End of distance computation
Calculating RMS i= 300
Calculating RMS i= 400
Calculating RMS i= 500
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 -1.44168E+01 AVE RMSD10.10
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.15583E+01 RMS 10.06
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -1.37724E+01 AVE RMSD 9.56
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.15570E+01 RMS 9.25
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -1.36653E+01 AVE RMSD 9.21
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.15575E+01 RMS 9.05
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -1.35464E+01 AVE RMSD 9.99
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.15573E+01 RMS 10.45
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -1.30426E+01 AVE RMSD 4.10
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.15579E+01 RMS 2.86
