Friday, September 27 2024 13:21:39
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -128521616 1 T -128521616 4 T -128521616 9 T -128521616 12 T -128521616 15 T -128521616 26 T -128521616 33 T -128521616 37 T -128521616 38 T -128521616 50 T -128521616 53 T -128521616 2 T -128521616 7 T -128521616 11 T -128521616 14 T -128521616 19 T -128521616 24 T -128521616 25 T -128521616 28 T -128521616 42 T -128521616 43 T -128521616 45 T -128521616 47 T -128521616 3 T -128521616 5 T -128521616 13 T -128521616 16 T -128521616 35 T -128521616 48 T -128521616 6 T -128521616 10 T -128521616 17 T -128521616 20 T -128521616 21 T -128521616 22 T -128521616 23 T -128521616 29 T -128521616 30 T -128521616 32 T -128521616 34 T -128521616 39 T -128521616 40 T -128521616 41 T -128521616 44 T -128521616 46 T -128521616 51 T -128521616 52 T -128521616 8 T -128521616 18 T -128521616 27 T -128521616 31 T -128521616 36 T -128521616 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
