Saturday, September 21 2024 23:37:33
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -730625328 1 T -730625328 4 T -730625328 9 T -730625328 12 T -730625328 15 T -730625328 26 T -730625328 33 T -730625328 37 T -730625328 38 T -730625328 50 T -730625328 53 T -730625328 2 T -730625328 7 T -730625328 11 T -730625328 14 T -730625328 19 T -730625328 24 T -730625328 25 T -730625328 28 T -730625328 42 T -730625328 43 T -730625328 45 T -730625328 47 T -730625328 3 T -730625328 5 T -730625328 13 T -730625328 16 T -730625328 35 T -730625328 48 T -730625328 6 T -730625328 10 T -730625328 17 T -730625328 20 T -730625328 21 T -730625328 22 T -730625328 23 T -730625328 29 T -730625328 30 T -730625328 32 T -730625328 34 T -730625328 39 T -730625328 40 T -730625328 41 T -730625328 44 T -730625328 46 T -730625328 51 T -730625328 52 T -730625328 8 T -730625328 18 T -730625328 27 T -730625328 31 T -730625328 36 T -730625328 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
