Saturday, September 21 2024 06:31:29
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 841371216 1 T 841371216 4 T 841371216 9 T 841371216 12 T 841371216 15 T 841371216 26 T 841371216 33 T 841371216 37 T 841371216 38 T 841371216 50 T 841371216 53 T 841371216 2 T 841371216 7 T 841371216 11 T 841371216 14 T 841371216 19 T 841371216 24 T 841371216 25 T 841371216 28 T 841371216 42 T 841371216 43 T 841371216 45 T 841371216 47 T 841371216 3 T 841371216 5 T 841371216 13 T 841371216 16 T 841371216 35 T 841371216 48 T 841371216 6 T 841371216 10 T 841371216 17 T 841371216 20 T 841371216 21 T 841371216 22 T 841371216 23 T 841371216 29 T 841371216 30 T 841371216 32 T 841371216 34 T 841371216 39 T 841371216 40 T 841371216 41 T 841371216 44 T 841371216 46 T 841371216 51 T 841371216 52 T 841371216 8 T 841371216 18 T 841371216 27 T 841371216 31 T 841371216 36 T 841371216 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
