Monday, September 23 2024 13:28:45
UNRES
0.62s
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
End of distance computation
Calculating RMS i= 100
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 5.60006E-01 AVE RMSD 4.49
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.51994E+00 RMS 3.19
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 6.75809E-01 AVE RMSD 7.58
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.52142E+00 RMS 7.63
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 8.05209E-01 AVE RMSD 9.57
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.52248E+00 RMS 9.11
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 1.65204E+00 AVE RMSD10.88
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.57216E+00 RMS 11.39
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 1.76910E+00 AVE RMSD 9.27
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.65681E+00 RMS 7.81
