Sunday, September 22 2024 00:54:46
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1.20s
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1639167616 1 T -1639167616 4 T -1639167616 9 T -1639167616 12 T -1639167616 15 T -1639167616 26 T -1639167616 33 T -1639167616 37 T -1639167616 38 T -1639167616 50 T -1639167616 53 T -1639167616 2 T -1639167616 7 T -1639167616 11 T -1639167616 14 T -1639167616 19 T -1639167616 24 T -1639167616 25 T -1639167616 28 T -1639167616 42 T -1639167616 43 T -1639167616 45 T -1639167616 47 T -1639167616 3 T -1639167616 5 T -1639167616 13 T -1639167616 16 T -1639167616 35 T -1639167616 48 T -1639167616 6 T -1639167616 10 T -1639167616 17 T -1639167616 20 T -1639167616 21 T -1639167616 22 T -1639167616 23 T -1639167616 29 T -1639167616 30 T -1639167616 32 T -1639167616 34 T -1639167616 39 T -1639167616 40 T -1639167616 41 T -1639167616 44 T -1639167616 46 T -1639167616 51 T -1639167616 52 T -1639167616 8 T -1639167616 18 T -1639167616 27 T -1639167616 31 T -1639167616 36 T -1639167616 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
