Tuesday, September 24 2024 17:23:41
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1336816544 1 T -1336816544 4 T -1336816544 9 T -1336816544 12 T -1336816544 15 T -1336816544 26 T -1336816544 33 T -1336816544 37 T -1336816544 38 T -1336816544 50 T -1336816544 53 T -1336816544 2 T -1336816544 7 T -1336816544 11 T -1336816544 14 T -1336816544 19 T -1336816544 24 T -1336816544 25 T -1336816544 28 T -1336816544 42 T -1336816544 43 T -1336816544 45 T -1336816544 47 T -1336816544 3 T -1336816544 5 T -1336816544 13 T -1336816544 16 T -1336816544 35 T -1336816544 48 T -1336816544 6 T -1336816544 10 T -1336816544 17 T -1336816544 20 T -1336816544 21 T -1336816544 22 T -1336816544 23 T -1336816544 29 T -1336816544 30 T -1336816544 32 T -1336816544 34 T -1336816544 39 T -1336816544 40 T -1336816544 41 T -1336816544 44 T -1336816544 46 T -1336816544 51 T -1336816544 52 T -1336816544 8 T -1336816544 18 T -1336816544 27 T -1336816544 31 T -1336816544 36 T -1336816544 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
