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
How many rounds does it take?