Sunday, September 22 2024 09:37:44
UNRES
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -492294640 1 T -492294640 4 T -492294640 9 T -492294640 12 T -492294640 15 T -492294640 26 T -492294640 33 T -492294640 37 T -492294640 38 T -492294640 50 T -492294640 53 T -492294640 2 T -492294640 7 T -492294640 11 T -492294640 14 T -492294640 19 T -492294640 24 T -492294640 25 T -492294640 28 T -492294640 42 T -492294640 43 T -492294640 45 T -492294640 47 T -492294640 3 T -492294640 5 T -492294640 13 T -492294640 16 T -492294640 35 T -492294640 48 T -492294640 6 T -492294640 10 T -492294640 17 T -492294640 20 T -492294640 21 T -492294640 22 T -492294640 23 T -492294640 29 T -492294640 30 T -492294640 32 T -492294640 34 T -492294640 39 T -492294640 40 T -492294640 41 T -492294640 44 T -492294640 46 T -492294640 51 T -492294640 52 T -492294640 8 T -492294640 18 T -492294640 27 T -492294640 31 T -492294640 36 T -492294640 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
