Wednesday, September 25 2024 04:37:29
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0.39s
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -197857712 1 T -197857712 4 T -197857712 9 T -197857712 12 T -197857712 15 T -197857712 26 T -197857712 33 T -197857712 37 T -197857712 38 T -197857712 50 T -197857712 53 T -197857712 2 T -197857712 7 T -197857712 11 T -197857712 14 T -197857712 19 T -197857712 24 T -197857712 25 T -197857712 28 T -197857712 42 T -197857712 43 T -197857712 45 T -197857712 47 T -197857712 3 T -197857712 5 T -197857712 13 T -197857712 16 T -197857712 35 T -197857712 48 T -197857712 6 T -197857712 10 T -197857712 17 T -197857712 20 T -197857712 21 T -197857712 22 T -197857712 23 T -197857712 29 T -197857712 30 T -197857712 32 T -197857712 34 T -197857712 39 T -197857712 40 T -197857712 41 T -197857712 44 T -197857712 46 T -197857712 51 T -197857712 52 T -197857712 8 T -197857712 18 T -197857712 27 T -197857712 31 T -197857712 36 T -197857712 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
