I am just beginning to explore Rosetta with some mutational analysis.
Currently exploring ddg_monomer.
From what I have read so far, ddg_monomer doesn't have parallel support.
Could I please know if setting
and then repeating the above 49 other times, to make a total of 50 predictions and then choosing the top three stated in the manual would produce similar results as setting
and running only once.
Given no parallel support, I think -ddg::iterations 1 can be set to 1 and 50 threads of this can be submitted, which would obviously (i think!) generate the required result faster.
The thing I am concerned with is that - during the run with -ddg::iterations 50, is there any refinement that is carried out which would be missed if the run is submitted with -ddg::iterations 1?
Any feedback on this would be highly appreciated and apologies again is this sounds like a noob question.