Monday, September 23 2024 10:20:12
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 238860704 1 T 238860704 4 T 238860704 9 T 238860704 12 T 238860704 15 T 238860704 26 T 238860704 33 T 238860704 37 T 238860704 38 T 238860704 50 T 238860704 53 T 238860704 2 T 238860704 7 T 238860704 11 T 238860704 14 T 238860704 19 T 238860704 24 T 238860704 25 T 238860704 28 T 238860704 42 T 238860704 43 T 238860704 45 T 238860704 47 T 238860704 3 T 238860704 5 T 238860704 13 T 238860704 16 T 238860704 35 T 238860704 48 T 238860704 6 T 238860704 10 T 238860704 17 T 238860704 20 T 238860704 21 T 238860704 22 T 238860704 23 T 238860704 29 T 238860704 30 T 238860704 32 T 238860704 34 T 238860704 39 T 238860704 40 T 238860704 41 T 238860704 44 T 238860704 46 T 238860704 51 T 238860704 52 T 238860704 8 T 238860704 18 T 238860704 27 T 238860704 31 T 238860704 36 T 238860704 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
