Friday, September 20 2024 20:34:37
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -98785952 1 T -98785952 4 T -98785952 9 T -98785952 12 T -98785952 15 T -98785952 26 T -98785952 33 T -98785952 37 T -98785952 38 T -98785952 50 T -98785952 53 T -98785952 2 T -98785952 7 T -98785952 11 T -98785952 14 T -98785952 19 T -98785952 24 T -98785952 25 T -98785952 28 T -98785952 42 T -98785952 43 T -98785952 45 T -98785952 47 T -98785952 3 T -98785952 5 T -98785952 13 T -98785952 16 T -98785952 35 T -98785952 48 T -98785952 6 T -98785952 10 T -98785952 17 T -98785952 20 T -98785952 21 T -98785952 22 T -98785952 23 T -98785952 29 T -98785952 30 T -98785952 32 T -98785952 34 T -98785952 39 T -98785952 40 T -98785952 41 T -98785952 44 T -98785952 46 T -98785952 51 T -98785952 52 T -98785952 8 T -98785952 18 T -98785952 27 T -98785952 31 T -98785952 36 T -98785952 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
