Hi Edward, I have a few questions.
Until now I used relax only on 9 - 12 kDa proteins and probed backbone relaxation. With an 8-core Intel workstation it took me only 2 days (if not even less!) to do a model-free calculation. Now I tried a big protein–one with >240 assigned residues. It took 2 days and 23 rounds to find a optimized spherical diffusion model, and since yesterday it churned out 35 prolate diffusion models! I understand that with increasing number of spins also computation time increases, but how many rounds are "normal" and how does computation time scale in respect to number of analyzed spins? Is it indicative of data quality if it takes too long to compute? The protein in the analysis is in a trimeric complex (where only one component is labeled at a time, simply to reduce overlap), I guess relax should model the correct correlation time and tensor for the whole multimer, and also find the correct center of mass? Shouldn't also the tensor parameters of any of the multimer components be identical? Cheers Martin _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-users mailing list [email protected] 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
