Friday, September 20 2024 13:42:14
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1330446688 1 T -1330446688 4 T -1330446688 9 T -1330446688 12 T -1330446688 15 T -1330446688 26 T -1330446688 33 T -1330446688 37 T -1330446688 38 T -1330446688 50 T -1330446688 53 T -1330446688 2 T -1330446688 7 T -1330446688 11 T -1330446688 14 T -1330446688 19 T -1330446688 24 T -1330446688 25 T -1330446688 28 T -1330446688 42 T -1330446688 43 T -1330446688 45 T -1330446688 47 T -1330446688 3 T -1330446688 5 T -1330446688 13 T -1330446688 16 T -1330446688 35 T -1330446688 48 T -1330446688 6 T -1330446688 10 T -1330446688 17 T -1330446688 20 T -1330446688 21 T -1330446688 22 T -1330446688 23 T -1330446688 29 T -1330446688 30 T -1330446688 32 T -1330446688 34 T -1330446688 39 T -1330446688 40 T -1330446688 41 T -1330446688 44 T -1330446688 46 T -1330446688 51 T -1330446688 52 T -1330446688 8 T -1330446688 18 T -1330446688 27 T -1330446688 31 T -1330446688 36 T -1330446688 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
