Follow-up Comment #1, bug #11454 (project relax): Hi again, I modified the script so 'print_flag=2' for the minimise() function and got this message. ============================ Method of Multipliers ~~~~~~~~~~~~~~~~~~~~~ The constraints have been incorrectly supplied. Simulation 2 Only the model-free parameters for single residues will be used. ============================ I also noticed that not all residues were being used since the script stopped after residue 33 (here Phe 72) of 177... ============================ Fitting to residue: 72 Phe ~~~~~~~~~~~~~~~~~~~~~~~~~~ Method of Multipliers ~~~~~~~~~~~~~~~~~~~~~ The constraints have been incorrectly supplied. Simulation 2 Only the model-free parameters for single residues will be used. Fitting to residue: 28 Glu ~~~~~~~~~~~~~~~~~~~~~~~~~~ Method of Multipliers ~~~~~~~~~~~~~~~~~~~~~ ... ============================ It is noteworthy to know that the error message above ("The constraints have been incorrectly supplied.") always arises after residue 72 Phe for which model "m0 " was chosen. Since there is no output after this error for a given simulation, calculations for the following residues may be skipped (even though results are present for them in results.bz2 file). Maybe there is a problem with minimizing and simulating for model "m0" which has no parameter... Ciao ! Séb _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?11454> _______________________________________________ Message sent via/by Gna! http://gna.org/