Friday, September 27 2024 13:19:44
UNRES
6.04s
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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 1213752704 1 T 1213752704 2 T 1213752704 3 T 1213752704 4 T 1213752704 5 T 1213752704 10 T 1213752704 11 T 1213752704 15 T 1213752704 21 T 1213752704 33 T 1213752704 6 T 1213752704 7 T 1213752704 16 T 1213752704 26 T 1213752704 8 T 1213752704 9 T 1213752704 24 T 1213752704 27 T 1213752704 30 T 1213752704 12 T 1213752704 13 T 1213752704 14 T 1213752704 18 T 1213752704 20 T 1213752704 22 T 1213752704 28 T 1213752704 29 T 1213752704 31 T 1213752704 32 T 1213752704 34 T 1213752704 17 T 1213752704 19 T 1213752704 23 T 1213752704 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
