Friday, September 27 2024 01:16:45
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0.88s
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -776631056 1 T -776631056 4 T -776631056 9 T -776631056 12 T -776631056 15 T -776631056 26 T -776631056 33 T -776631056 37 T -776631056 38 T -776631056 50 T -776631056 53 T -776631056 2 T -776631056 7 T -776631056 11 T -776631056 14 T -776631056 19 T -776631056 24 T -776631056 25 T -776631056 28 T -776631056 42 T -776631056 43 T -776631056 45 T -776631056 47 T -776631056 3 T -776631056 5 T -776631056 13 T -776631056 16 T -776631056 35 T -776631056 48 T -776631056 6 T -776631056 10 T -776631056 17 T -776631056 20 T -776631056 21 T -776631056 22 T -776631056 23 T -776631056 29 T -776631056 30 T -776631056 32 T -776631056 34 T -776631056 39 T -776631056 40 T -776631056 41 T -776631056 44 T -776631056 46 T -776631056 51 T -776631056 52 T -776631056 8 T -776631056 18 T -776631056 27 T -776631056 31 T -776631056 36 T -776631056 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
