Tuesday, September 24 2024 09:19:38
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1904817168 1 T 1904817168 4 T 1904817168 9 T 1904817168 12 T 1904817168 15 T 1904817168 26 T 1904817168 33 T 1904817168 37 T 1904817168 38 T 1904817168 50 T 1904817168 53 T 1904817168 2 T 1904817168 7 T 1904817168 11 T 1904817168 14 T 1904817168 19 T 1904817168 24 T 1904817168 25 T 1904817168 28 T 1904817168 42 T 1904817168 43 T 1904817168 45 T 1904817168 47 T 1904817168 3 T 1904817168 5 T 1904817168 13 T 1904817168 16 T 1904817168 35 T 1904817168 48 T 1904817168 6 T 1904817168 10 T 1904817168 17 T 1904817168 20 T 1904817168 21 T 1904817168 22 T 1904817168 23 T 1904817168 29 T 1904817168 30 T 1904817168 32 T 1904817168 34 T 1904817168 39 T 1904817168 40 T 1904817168 41 T 1904817168 44 T 1904817168 46 T 1904817168 51 T 1904817168 52 T 1904817168 8 T 1904817168 18 T 1904817168 27 T 1904817168 31 T 1904817168 36 T 1904817168 49 THERE ARE 5 FAMILIES OF CONFORMATIONS 1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY 4.88719E+00 AVE RMSD 3.28 1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering ENERGY 5.00998E+00 RMS 3.22 1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 5.51604E+00 AVE RMSD 3.73 1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering ENERGY 5.86048E+00 RMS 3.93 1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 5.59557E+00 AVE RMSD 4.73 1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering ENERGY 5.95984E+00 RMS 4.54 1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 5.79408E+00 AVE RMSD 2.24 1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering ENERGY 6.38056E+00 RMS 2.19 1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 6.35101E+00 AVE RMSD 4.09 1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering ENERGY 6.63064E+00 RMS 3.96
