Friday, November 01 2024 01:03:13
UNRES
0.56s
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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.
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= 100
End of distance computation
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 6.42096E-01 AVE RMSD 9.32
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.56543E+00 RMS 9.56
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 6.90148E-01 AVE RMSD 9.34
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.55893E+00 RMS 9.77
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 8.21600E-01 AVE RMSD 9.90
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.55972E+00 RMS 9.90
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 1.14270E+00 AVE RMSD 4.39
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.61650E+00 RMS 5.30
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 1.96546E+00 AVE RMSD 9.72
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.57538E+00 RMS 9.90
