Monday, November 04 2024 22:37:15
UNRES
0.54s| 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
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
MAIN: nnt= 1 nct= 48
Call Read_Bridge.
ns= 0
NNT= 1 NCT= 49
MAIN: nnt= 1 nct= 48
Calculating RMS i= 100
End of distance computation
Calculating RMS i= 100
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 3.13886E-01 AVE RMSD10.25
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.50008E+00 RMS 9.99
wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 8.17580E-01 AVE RMSD 7.67
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.50180E+00 RMS 7.94
wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 1.20690E+00 AVE RMSD 8.09
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.50868E+00 RMS 8.18
wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 1.50355E+00 AVE RMSD 6.48
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.60942E+00 RMS 7.23
wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 2.55608E+00 AVE RMSD 9.29
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY 2.77069E+00 RMS 8.94
