Sunday, September 22 2024 08:39:48
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 374869088 1 T 374869088 4 T 374869088 9 T 374869088 12 T 374869088 15 T 374869088 26 T 374869088 33 T 374869088 37 T 374869088 38 T 374869088 50 T 374869088 53 T 374869088 2 T 374869088 7 T 374869088 11 T 374869088 14 T 374869088 19 T 374869088 24 T 374869088 25 T 374869088 28 T 374869088 42 T 374869088 43 T 374869088 45 T 374869088 47 T 374869088 3 T 374869088 5 T 374869088 13 T 374869088 16 T 374869088 35 T 374869088 48 T 374869088 6 T 374869088 10 T 374869088 17 T 374869088 20 T 374869088 21 T 374869088 22 T 374869088 23 T 374869088 29 T 374869088 30 T 374869088 32 T 374869088 34 T 374869088 39 T 374869088 40 T 374869088 41 T 374869088 44 T 374869088 46 T 374869088 51 T 374869088 52 T 374869088 8 T 374869088 18 T 374869088 27 T 374869088 31 T 374869088 36 T 374869088 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
