Sunday, November 03 2024 22:57:48
UNRES
0.45s
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
indpdb= 0 pdbref= F
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
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= 100
End of distance computation
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 6.01905E-01 AVE RMSD 4.50
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.58606E+00 RMS 3.19
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 7.04170E-01 AVE RMSD 7.58
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.58667E+00 RMS 7.63
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 7.69752E-01 AVE RMSD 9.61
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.58813E+00 RMS 9.11
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 1.43412E+00 AVE RMSD10.85
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.63384E+00 RMS 11.39
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 1.75517E+00 AVE RMSD 9.02
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.71749E+00 RMS 7.81
