Friday, September 20 2024 18:34:37
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -329798576 1 T -329798576 4 T -329798576 9 T -329798576 12 T -329798576 15 T -329798576 26 T -329798576 33 T -329798576 37 T -329798576 38 T -329798576 50 T -329798576 53 T -329798576 2 T -329798576 7 T -329798576 11 T -329798576 14 T -329798576 19 T -329798576 24 T -329798576 25 T -329798576 28 T -329798576 42 T -329798576 43 T -329798576 45 T -329798576 47 T -329798576 3 T -329798576 5 T -329798576 13 T -329798576 16 T -329798576 35 T -329798576 48 T -329798576 6 T -329798576 10 T -329798576 17 T -329798576 20 T -329798576 21 T -329798576 22 T -329798576 23 T -329798576 29 T -329798576 30 T -329798576 32 T -329798576 34 T -329798576 39 T -329798576 40 T -329798576 41 T -329798576 44 T -329798576 46 T -329798576 51 T -329798576 52 T -329798576 8 T -329798576 18 T -329798576 27 T -329798576 31 T -329798576 36 T -329798576 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
