Monday, September 23 2024 09:20:19
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 2084962704 1 T 2084962704 4 T 2084962704 9 T 2084962704 12 T 2084962704 15 T 2084962704 26 T 2084962704 33 T 2084962704 37 T 2084962704 38 T 2084962704 50 T 2084962704 53 T 2084962704 2 T 2084962704 7 T 2084962704 11 T 2084962704 14 T 2084962704 19 T 2084962704 24 T 2084962704 25 T 2084962704 28 T 2084962704 42 T 2084962704 43 T 2084962704 45 T 2084962704 47 T 2084962704 3 T 2084962704 5 T 2084962704 13 T 2084962704 16 T 2084962704 35 T 2084962704 48 T 2084962704 6 T 2084962704 10 T 2084962704 17 T 2084962704 20 T 2084962704 21 T 2084962704 22 T 2084962704 23 T 2084962704 29 T 2084962704 30 T 2084962704 32 T 2084962704 34 T 2084962704 39 T 2084962704 40 T 2084962704 41 T 2084962704 44 T 2084962704 46 T 2084962704 51 T 2084962704 52 T 2084962704 8 T 2084962704 18 T 2084962704 27 T 2084962704 31 T 2084962704 36 T 2084962704 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
