Sunday, September 22 2024 21:22:21
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1534064480 1 T -1534064480 4 T -1534064480 9 T -1534064480 12 T -1534064480 15 T -1534064480 26 T -1534064480 33 T -1534064480 37 T -1534064480 38 T -1534064480 50 T -1534064480 53 T -1534064480 2 T -1534064480 7 T -1534064480 11 T -1534064480 14 T -1534064480 19 T -1534064480 24 T -1534064480 25 T -1534064480 28 T -1534064480 42 T -1534064480 43 T -1534064480 45 T -1534064480 47 T -1534064480 3 T -1534064480 5 T -1534064480 13 T -1534064480 16 T -1534064480 35 T -1534064480 48 T -1534064480 6 T -1534064480 10 T -1534064480 17 T -1534064480 20 T -1534064480 21 T -1534064480 22 T -1534064480 23 T -1534064480 29 T -1534064480 30 T -1534064480 32 T -1534064480 34 T -1534064480 39 T -1534064480 40 T -1534064480 41 T -1534064480 44 T -1534064480 46 T -1534064480 51 T -1534064480 52 T -1534064480 8 T -1534064480 18 T -1534064480 27 T -1534064480 31 T -1534064480 36 T -1534064480 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
