Tuesday, September 17 2024 22:12:50
UNRES
0.66s| Processors | [Graph]1 |
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CTEST_FULL_OUTPUT 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_UNDERFLOW_FLAG IEEE_DENORMAL STOP ********** Program terminated normally. T 65 1 T 65 4 T 65 2 T 65 5 T 65 12 T 65 13 T 65 3 T 65 6 T 65 8 T 65 9 T 65 14 T 65 7 T 65 10 T 65 15 T 65 11 THERE ARE 5 FAMILIES OF CONFORMATIONS wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -5.47798E+00 AVE RMSD 8.50 wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY -5.37757E+00 RMS 8.48 wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -4.93314E+00 AVE RMSD 1.18 wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY -4.76890E+00 RMS 1.14 wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -4.73037E+00 AVE RMSD 1.42 wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY -4.47692E+00 RMS 1.37 wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -3.80315E+00 AVE RMSD 2.53 wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY -3.52259E+00 RMS 2.47 wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -3.05895E+00 AVE RMSD 1.15 wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY -3.05895E+00 RMS 1.15
