Tuesday, September 17 2024 22:21:46
UNRES
1.38s
Show Command Line
Show Test Time Graph
Show Failing/Passing Graph
CTEST_FULL_OUTPUT
indpdb= 0 pdbref= F
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
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.
Call Read_Bridge.
ns= 0
ns= 0
NNT= 1 NCT= 49
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 -1.39866E+01 AVE RMSD 9.94
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.11174E+01 RMS 10.29
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -1.35238E+01 AVE RMSD10.02
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.11175E+01 RMS 10.21
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -1.29422E+01 AVE RMSD 2.66
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.11161E+01 RMS 2.40
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -1.25135E+01 AVE RMSD 8.67
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.10196E+01 RMS 8.07
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -1.25069E+01 AVE RMSD 9.89
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.10714E+01 RMS 9.45
