Saturday, September 21 2024 17:35:00
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1077697968 1 T -1077697968 4 T -1077697968 9 T -1077697968 12 T -1077697968 15 T -1077697968 26 T -1077697968 33 T -1077697968 37 T -1077697968 38 T -1077697968 50 T -1077697968 53 T -1077697968 2 T -1077697968 7 T -1077697968 11 T -1077697968 14 T -1077697968 19 T -1077697968 24 T -1077697968 25 T -1077697968 28 T -1077697968 42 T -1077697968 43 T -1077697968 45 T -1077697968 47 T -1077697968 3 T -1077697968 5 T -1077697968 13 T -1077697968 16 T -1077697968 35 T -1077697968 48 T -1077697968 6 T -1077697968 10 T -1077697968 17 T -1077697968 20 T -1077697968 21 T -1077697968 22 T -1077697968 23 T -1077697968 29 T -1077697968 30 T -1077697968 32 T -1077697968 34 T -1077697968 39 T -1077697968 40 T -1077697968 41 T -1077697968 44 T -1077697968 46 T -1077697968 51 T -1077697968 52 T -1077697968 8 T -1077697968 18 T -1077697968 27 T -1077697968 31 T -1077697968 36 T -1077697968 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
