Sunday, September 22 2024 17:22:30
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally.STOP ********** Program terminated normally. T 2097186288 1 T 2097186288 4 T 2097186288 9 T 2097186288 12 T 2097186288 15 T 2097186288 26 T 2097186288 33 T 2097186288 37 T 2097186288 38 T 2097186288 50 T 2097186288 53 T 2097186288 2 T 2097186288 7 T 2097186288 11 T 2097186288 14 T 2097186288 19 T 2097186288 24 T 2097186288 25 T 2097186288 28 T 2097186288 42 T 2097186288 43 T 2097186288 45 T 2097186288 47 T 2097186288 3 T 2097186288 5 T 2097186288 13 T 2097186288 16 T 2097186288 35 T 2097186288 48 T 2097186288 6 T 2097186288 10 T 2097186288 17 T 2097186288 20 T 2097186288 21 T 2097186288 22 T 2097186288 23 T 2097186288 29 T 2097186288 30 T 2097186288 32 T 2097186288 34 T 2097186288 39 T 2097186288 40 T 2097186288 41 T 2097186288 44 T 2097186288 46 T 2097186288 51 T 2097186288 52 T 2097186288 8 T 2097186288 18 T 2097186288 27 T 2097186288 31 T 2097186288 36 T 2097186288 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
