Friday, September 20 2024 05:34:36
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -328099152 1 T -328099152 4 T -328099152 9 T -328099152 11 T -328099152 15 T -328099152 26 T -328099152 33 T -328099152 37 T -328099152 38 T -328099152 50 T -328099152 53 T -328099152 2 T -328099152 8 T -328099152 12 T -328099152 14 T -328099152 19 T -328099152 24 T -328099152 25 T -328099152 28 T -328099152 41 T -328099152 43 T -328099152 46 T -328099152 47 T -328099152 3 T -328099152 5 T -328099152 13 T -328099152 16 T -328099152 35 T -328099152 48 T -328099152 6 T -328099152 10 T -328099152 17 T -328099152 20 T -328099152 21 T -328099152 22 T -328099152 23 T -328099152 29 T -328099152 30 T -328099152 31 T -328099152 34 T -328099152 39 T -328099152 40 T -328099152 42 T -328099152 44 T -328099152 45 T -328099152 51 T -328099152 52 T -328099152 7 T -328099152 18 T -328099152 27 T -328099152 32 T -328099152 36 T -328099152 49 THERE ARE 5 FAMILIES OF CONFORMATIONS 1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY 4.87926E+00 AVE RMSD 3.28 1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering ENERGY 5.00239E+00 RMS 3.22 1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 5.50972E+00 AVE RMSD 3.73 1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering ENERGY 5.85452E+00 RMS 3.93 1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 5.58551E+00 AVE RMSD 4.72 1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering ENERGY 5.94537E+00 RMS 4.54 1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 5.78127E+00 AVE RMSD 2.24 1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering ENERGY 6.36579E+00 RMS 2.19 1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 6.34186E+00 AVE RMSD 4.09 1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering ENERGY 6.61895E+00 RMS 3.96
