Friday, September 20 2024 14:45:06
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -129863792 1 T -129863792 4 T -129863792 9 T -129863792 12 T -129863792 15 T -129863792 26 T -129863792 33 T -129863792 37 T -129863792 38 T -129863792 50 T -129863792 53 T -129863792 2 T -129863792 7 T -129863792 11 T -129863792 14 T -129863792 19 T -129863792 24 T -129863792 25 T -129863792 28 T -129863792 42 T -129863792 43 T -129863792 45 T -129863792 47 T -129863792 3 T -129863792 5 T -129863792 13 T -129863792 16 T -129863792 35 T -129863792 48 T -129863792 6 T -129863792 10 T -129863792 17 T -129863792 20 T -129863792 21 T -129863792 22 T -129863792 23 T -129863792 29 T -129863792 30 T -129863792 32 T -129863792 34 T -129863792 39 T -129863792 40 T -129863792 41 T -129863792 44 T -129863792 46 T -129863792 51 T -129863792 52 T -129863792 8 T -129863792 18 T -129863792 27 T -129863792 31 T -129863792 36 T -129863792 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
