Wednesday, September 25 2024 05:15:34
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1178959776 1 T 1178959776 4 T 1178959776 9 T 1178959776 12 T 1178959776 15 T 1178959776 26 T 1178959776 33 T 1178959776 37 T 1178959776 38 T 1178959776 50 T 1178959776 53 T 1178959776 2 T 1178959776 7 T 1178959776 11 T 1178959776 14 T 1178959776 19 T 1178959776 24 T 1178959776 25 T 1178959776 28 T 1178959776 42 T 1178959776 43 T 1178959776 45 T 1178959776 47 T 1178959776 3 T 1178959776 5 T 1178959776 13 T 1178959776 16 T 1178959776 35 T 1178959776 48 T 1178959776 6 T 1178959776 10 T 1178959776 17 T 1178959776 20 T 1178959776 21 T 1178959776 22 T 1178959776 23 T 1178959776 29 T 1178959776 30 T 1178959776 32 T 1178959776 34 T 1178959776 39 T 1178959776 40 T 1178959776 41 T 1178959776 44 T 1178959776 46 T 1178959776 51 T 1178959776 52 T 1178959776 8 T 1178959776 18 T 1178959776 27 T 1178959776 31 T 1178959776 36 T 1178959776 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
