On Nov 2, 2009, at 6:10 AM, Daniel Russel wrote:
>> I think we should separate the discussion for >> fine coarsening ( up to 5 residues) >> coarse coarsening ( more than 5 residues). >> >> For fine coarsening I think the helper function is fine and most >> restraints would work well with it. > I still have the question of why bother keeping consecutive residues > together? As far as I can tell, it produces uniformly worse results > than allowing them to be separate. Unless there is some advantage, > it isn't something that should be there. >
This is a way of accelerating the optimization. We can benchmark your updated excluded volume restraint for example to see how well it preforms with large assemblies - lets look at it today together - sounds good ?