Monday, September 23 2024 19:23:37
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -872385808 1 T -872385808 4 T -872385808 9 T -872385808 12 T -872385808 15 T -872385808 26 T -872385808 33 T -872385808 37 T -872385808 38 T -872385808 50 T -872385808 53 T -872385808 2 T -872385808 7 T -872385808 11 T -872385808 14 T -872385808 19 T -872385808 24 T -872385808 25 T -872385808 28 T -872385808 42 T -872385808 43 T -872385808 45 T -872385808 47 T -872385808 3 T -872385808 5 T -872385808 13 T -872385808 16 T -872385808 35 T -872385808 48 T -872385808 6 T -872385808 10 T -872385808 17 T -872385808 20 T -872385808 21 T -872385808 22 T -872385808 23 T -872385808 29 T -872385808 30 T -872385808 32 T -872385808 34 T -872385808 39 T -872385808 40 T -872385808 41 T -872385808 44 T -872385808 46 T -872385808 51 T -872385808 52 T -872385808 8 T -872385808 18 T -872385808 27 T -872385808 31 T -872385808 36 T -872385808 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
