Friday, September 27 2024 17:24:27
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -41584096 1 T -41584096 4 T -41584096 9 T -41584096 12 T -41584096 15 T -41584096 26 T -41584096 33 T -41584096 37 T -41584096 38 T -41584096 50 T -41584096 53 T -41584096 2 T -41584096 7 T -41584096 11 T -41584096 14 T -41584096 19 T -41584096 24 T -41584096 25 T -41584096 28 T -41584096 42 T -41584096 43 T -41584096 45 T -41584096 47 T -41584096 3 T -41584096 5 T -41584096 13 T -41584096 16 T -41584096 35 T -41584096 48 T -41584096 6 T -41584096 10 T -41584096 17 T -41584096 20 T -41584096 21 T -41584096 22 T -41584096 23 T -41584096 29 T -41584096 30 T -41584096 32 T -41584096 34 T -41584096 39 T -41584096 40 T -41584096 41 T -41584096 44 T -41584096 46 T -41584096 51 T -41584096 52 T -41584096 8 T -41584096 18 T -41584096 27 T -41584096 31 T -41584096 36 T -41584096 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
