Tuesday, September 24 2024 00:30:01
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -299789744 1 T -299789744 4 T -299789744 9 T -299789744 12 T -299789744 15 T -299789744 26 T -299789744 33 T -299789744 37 T -299789744 38 T -299789744 50 T -299789744 53 T -299789744 2 T -299789744 7 T -299789744 11 T -299789744 14 T -299789744 19 T -299789744 24 T -299789744 25 T -299789744 28 T -299789744 42 T -299789744 43 T -299789744 45 T -299789744 47 T -299789744 3 T -299789744 5 T -299789744 13 T -299789744 16 T -299789744 35 T -299789744 48 T -299789744 6 T -299789744 10 T -299789744 17 T -299789744 20 T -299789744 21 T -299789744 22 T -299789744 23 T -299789744 29 T -299789744 30 T -299789744 32 T -299789744 34 T -299789744 39 T -299789744 40 T -299789744 41 T -299789744 44 T -299789744 46 T -299789744 51 T -299789744 52 T -299789744 8 T -299789744 18 T -299789744 27 T -299789744 31 T -299789744 36 T -299789744 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
