Hi Stefano, That is the correct procedure to set up the analysis. After loading the relaxation data (http://www.nmr-relax.com/manual/d_Auvergne_protocol_GUI_mode_loading_data.html), in your case via the 'Add Bruker' button, you then need to:
- Set up your relaxation interactions via the 'Dipolar relaxation' and 'CSA relaxation' buttons (http://www.nmr-relax.com/manual/d_Auvergne_protocol_GUI_mode_relaxation_interactions.html). - Set the spin isotope information (http://www.nmr-relax.com/manual/d_Auvergne_protocol_GUI_mode_spin_isotopes.html). - Complete the rest of the setup (http://www.nmr-relax.com/manual/d_Auvergne_protocol_GUI_mode_rest_setup.html). This should be sufficient. As mentioned in the execution section of the manual (http://www.nmr-relax.com/manual/d_Auvergne_protocol_GUI_mode_execution.html), after clicking on the 'Execute' button, you should very carefully check all warnings in the relax controller window (or log file which you should store for future reference, see the --log command line option). You will also see in the manual that your calculation can take up to a week (http://www.nmr-relax.com/manual/new_protocol_in_GUI.html). This is highly dependent on the dynamics of the protein system, the quality of the input PDB file, the speed of your computer, and if you have used Gary Thompson's multi-processor framework with OpenMPI (http://www.nmr-relax.com/manual/multi_processor_framework.html). Calculation times can range from less than 1 hour to 2 weeks or more. Regards, Edward On 27 May 2014 17:10, Stefano Luciano Ciurli <stefano.ciu...@unibo.it> wrote: > As for this, I think I solved the problem myself: I only needed to work > through the dipolar relaxation, interatomic distance and CSA buttons. > Stefano > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-users mailing list > relax-users@gna.org > > To unsubscribe from this list, get a password > reminder, or change your subscription options, > visit the list information page at > https://mail.gna.org/listinfo/relax-users _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-users mailing list relax-users@gna.org To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-users
