Saturday, September 21 2024 22:34:23
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0.61s
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1132404448 1 T -1132404448 4 T -1132404448 9 T -1132404448 12 T -1132404448 15 T -1132404448 26 T -1132404448 33 T -1132404448 37 T -1132404448 38 T -1132404448 50 T -1132404448 53 T -1132404448 2 T -1132404448 7 T -1132404448 11 T -1132404448 14 T -1132404448 19 T -1132404448 24 T -1132404448 25 T -1132404448 28 T -1132404448 42 T -1132404448 43 T -1132404448 45 T -1132404448 47 T -1132404448 3 T -1132404448 5 T -1132404448 13 T -1132404448 16 T -1132404448 35 T -1132404448 48 T -1132404448 6 T -1132404448 10 T -1132404448 17 T -1132404448 20 T -1132404448 21 T -1132404448 22 T -1132404448 23 T -1132404448 29 T -1132404448 30 T -1132404448 32 T -1132404448 34 T -1132404448 39 T -1132404448 40 T -1132404448 41 T -1132404448 44 T -1132404448 46 T -1132404448 51 T -1132404448 52 T -1132404448 8 T -1132404448 18 T -1132404448 27 T -1132404448 31 T -1132404448 36 T -1132404448 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
