Friday, September 27 2024 03:29:04
UNRES
6.12s
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. JESTEM ishiftca= 1 ilastca= 76 init_dfa_vars finished! ishiftca= 1 ilastca= 76 init_dfa_vars finished! read_dfa_info finished! T -138627616 1 T -138627616 2 T -138627616 3 T -138627616 4 T -138627616 5 T -138627616 10 T -138627616 11 T -138627616 15 T -138627616 21 T -138627616 33 T -138627616 6 T -138627616 7 T -138627616 16 T -138627616 26 T -138627616 8 T -138627616 9 T -138627616 24 T -138627616 27 T -138627616 30 T -138627616 12 T -138627616 13 T -138627616 14 T -138627616 18 T -138627616 20 T -138627616 22 T -138627616 28 T -138627616 29 T -138627616 31 T -138627616 32 T -138627616 34 T -138627616 17 T -138627616 19 T -138627616 23 T -138627616 25 THERE ARE 5 FAMILIES OF CONFORMATIONS dfa_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -9.17543E+02 AVE RMSD 0.00 dfa_wham_T280K_0001.pdb:REMARK clustering ENERGY -9.16925E+02 RMS 0.00 dfa_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -9.16058E+02 AVE RMSD 0.00 dfa_wham_T280K_0002.pdb:REMARK clustering ENERGY -9.15652E+02 RMS 0.00 dfa_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -9.15838E+02 AVE RMSD 0.00 dfa_wham_T280K_0003.pdb:REMARK clustering ENERGY -9.15402E+02 RMS 0.00 dfa_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -9.15770E+02 AVE RMSD 0.00 dfa_wham_T280K_0004.pdb:REMARK clustering ENERGY -9.15080E+02 RMS 0.00 dfa_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -9.15034E+02 AVE RMSD 0.00 dfa_wham_T280K_0005.pdb:REMARK clustering ENERGY -9.14437E+02 RMS 0.00
