Monday, September 23 2024 13:26:03
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0.96s
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -765905968 1 T -765905968 4 T -765905968 9 T -765905968 12 T -765905968 15 T -765905968 26 T -765905968 33 T -765905968 37 T -765905968 38 T -765905968 50 T -765905968 53 T -765905968 2 T -765905968 7 T -765905968 11 T -765905968 14 T -765905968 19 T -765905968 24 T -765905968 25 T -765905968 28 T -765905968 42 T -765905968 43 T -765905968 45 T -765905968 47 T -765905968 3 T -765905968 5 T -765905968 13 T -765905968 16 T -765905968 35 T -765905968 48 T -765905968 6 T -765905968 10 T -765905968 17 T -765905968 20 T -765905968 21 T -765905968 22 T -765905968 23 T -765905968 29 T -765905968 30 T -765905968 32 T -765905968 34 T -765905968 39 T -765905968 40 T -765905968 41 T -765905968 44 T -765905968 46 T -765905968 51 T -765905968 52 T -765905968 8 T -765905968 18 T -765905968 27 T -765905968 31 T -765905968 36 T -765905968 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
