Friday, September 27 2024 03:26:11
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1766817664 1 T 1766817664 4 T 1766817664 9 T 1766817664 12 T 1766817664 15 T 1766817664 26 T 1766817664 33 T 1766817664 37 T 1766817664 38 T 1766817664 50 T 1766817664 53 T 1766817664 2 T 1766817664 7 T 1766817664 11 T 1766817664 14 T 1766817664 19 T 1766817664 24 T 1766817664 25 T 1766817664 28 T 1766817664 42 T 1766817664 43 T 1766817664 45 T 1766817664 47 T 1766817664 3 T 1766817664 5 T 1766817664 13 T 1766817664 16 T 1766817664 35 T 1766817664 48 T 1766817664 6 T 1766817664 10 T 1766817664 17 T 1766817664 20 T 1766817664 21 T 1766817664 22 T 1766817664 23 T 1766817664 29 T 1766817664 30 T 1766817664 32 T 1766817664 34 T 1766817664 39 T 1766817664 40 T 1766817664 41 T 1766817664 44 T 1766817664 46 T 1766817664 51 T 1766817664 52 T 1766817664 8 T 1766817664 18 T 1766817664 27 T 1766817664 31 T 1766817664 36 T 1766817664 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
