Saturday, October 05 2024 23:54:42
UNRES
1.85s
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
Call Read_Bridge.
49
ns= 0
NNT= 1 NCT= 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 ********** Program terminated normally.
STOP ********** Program terminated normally.
THERE ARE 5 FAMILIES OF CONFORMATIONS
wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -1.38912E+01 AVE RMSD 9.91
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.10724E+01 RMS 9.57
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -1.34625E+01 AVE RMSD10.04
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.10715E+01 RMS 9.86
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -1.27697E+01 AVE RMSD 2.71
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.10613E+01 RMS 2.84
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -1.25378E+01 AVE RMSD 8.69
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.09978E+01 RMS 8.07
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -1.24466E+01 AVE RMSD 9.81
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.10415E+01 RMS 9.45
