Sunday, September 22 2024 19:33:52
UNRES
0.68s| Processors | [Graph]1 |
|---|
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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.
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= 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
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_DENORMAL
STOP ********** Program terminated normally.
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_DENORMAL
STOP ********** Program terminated normally.
THERE ARE 5 FAMILIES OF CONFORMATIONS
wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -1.36524E+01 AVE RMSD 9.47
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.09140E+01 RMS 9.87
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -1.32355E+01 AVE RMSD 8.65
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.09129E+01 RMS 9.91
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -1.32170E+01 AVE RMSD 3.35
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.09139E+01 RMS 3.73
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -1.28753E+01 AVE RMSD 9.53
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.09125E+01 RMS 9.27
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -1.21616E+01 AVE RMSD 7.96
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.08592E+01 RMS 7.00
