Wednesday, September 25 2024 15:24:09
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 805747472 1 T 805747472 4 T 805747472 9 T 805747472 12 T 805747472 15 T 805747472 26 T 805747472 33 T 805747472 37 T 805747472 38 T 805747472 50 T 805747472 53 T 805747472 2 T 805747472 7 T 805747472 11 T 805747472 14 T 805747472 19 T 805747472 24 T 805747472 25 T 805747472 28 T 805747472 42 T 805747472 43 T 805747472 45 T 805747472 47 T 805747472 3 T 805747472 5 T 805747472 13 T 805747472 16 T 805747472 35 T 805747472 48 T 805747472 6 T 805747472 10 T 805747472 17 T 805747472 20 T 805747472 21 T 805747472 22 T 805747472 23 T 805747472 29 T 805747472 30 T 805747472 32 T 805747472 34 T 805747472 39 T 805747472 40 T 805747472 41 T 805747472 44 T 805747472 46 T 805747472 51 T 805747472 52 T 805747472 8 T 805747472 18 T 805747472 27 T 805747472 31 T 805747472 36 T 805747472 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
