Sunday, September 22 2024 04:03:45
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -172652672 1 T -172652672 4 T -172652672 9 T -172652672 12 T -172652672 15 T -172652672 26 T -172652672 33 T -172652672 37 T -172652672 38 T -172652672 50 T -172652672 53 T -172652672 2 T -172652672 7 T -172652672 11 T -172652672 14 T -172652672 19 T -172652672 24 T -172652672 25 T -172652672 28 T -172652672 42 T -172652672 43 T -172652672 45 T -172652672 47 T -172652672 3 T -172652672 5 T -172652672 13 T -172652672 16 T -172652672 35 T -172652672 48 T -172652672 6 T -172652672 10 T -172652672 17 T -172652672 20 T -172652672 21 T -172652672 22 T -172652672 23 T -172652672 29 T -172652672 30 T -172652672 32 T -172652672 34 T -172652672 39 T -172652672 40 T -172652672 41 T -172652672 44 T -172652672 46 T -172652672 51 T -172652672 52 T -172652672 8 T -172652672 18 T -172652672 27 T -172652672 31 T -172652672 36 T -172652672 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
