Sunday, September 22 2024 19:26:00
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0.93s
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1288112096 1 T -1288112096 4 T -1288112096 9 T -1288112096 12 T -1288112096 15 T -1288112096 26 T -1288112096 33 T -1288112096 37 T -1288112096 38 T -1288112096 50 T -1288112096 53 T -1288112096 2 T -1288112096 7 T -1288112096 11 T -1288112096 14 T -1288112096 19 T -1288112096 24 T -1288112096 25 T -1288112096 28 T -1288112096 42 T -1288112096 43 T -1288112096 45 T -1288112096 47 T -1288112096 3 T -1288112096 5 T -1288112096 13 T -1288112096 16 T -1288112096 35 T -1288112096 48 T -1288112096 6 T -1288112096 10 T -1288112096 17 T -1288112096 20 T -1288112096 21 T -1288112096 22 T -1288112096 23 T -1288112096 29 T -1288112096 30 T -1288112096 32 T -1288112096 34 T -1288112096 39 T -1288112096 40 T -1288112096 41 T -1288112096 44 T -1288112096 46 T -1288112096 51 T -1288112096 52 T -1288112096 8 T -1288112096 18 T -1288112096 27 T -1288112096 31 T -1288112096 36 T -1288112096 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
