Monday, September 23 2024 04:29:24
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1.32s
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -251029040 1 T -251029040 4 T -251029040 9 T -251029040 12 T -251029040 15 T -251029040 26 T -251029040 33 T -251029040 37 T -251029040 38 T -251029040 50 T -251029040 53 T -251029040 2 T -251029040 7 T -251029040 11 T -251029040 14 T -251029040 19 T -251029040 24 T -251029040 25 T -251029040 28 T -251029040 42 T -251029040 43 T -251029040 45 T -251029040 47 T -251029040 3 T -251029040 5 T -251029040 13 T -251029040 16 T -251029040 35 T -251029040 48 T -251029040 6 T -251029040 10 T -251029040 17 T -251029040 20 T -251029040 21 T -251029040 22 T -251029040 23 T -251029040 29 T -251029040 30 T -251029040 32 T -251029040 34 T -251029040 39 T -251029040 40 T -251029040 41 T -251029040 44 T -251029040 46 T -251029040 51 T -251029040 52 T -251029040 8 T -251029040 18 T -251029040 27 T -251029040 31 T -251029040 36 T -251029040 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
