[gmx-users] Bug in g_rms -> calculate RhoSc ??

[Anton Feenstra]

Marc Baaden wrote:
> 
> it is least-squares fitted to a selection of Calphas which show dominant
> secondary structure for most of the trajectory.

That at least looks pretty similar to the rho plot.
It would appear that it cannot be a pbc or fitting related problem, 
since that would equally influence the rmsd and rho plots.

> I should maybe point out that I get the same kind of weird
> rhosc plot for a number of other systems.

I'm completely at a loss here. I've used it before (as I said, on a 
peptide) and it looked fine at that time. 

Maybe something went broken... :-(



-- 
Groetjes,

Anton
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|        | Anton Feenstra                                            |
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