[gmx-users] g_covar

Anthony Cruz acb15885 at uprm.edu
Mon Aug 22 22:02:32 CEST 2005


Thank you for you answer.
I have another question. When I want to compare two trajectories whatstructure 
I need to use for the superposition? How I can join the two trajectories if 
they have the same times???

Thanks
Anthony

On Friday 19 August 2005 12:27 pm, David wrote:
> On Fri, 2005-08-19 at 12:55 -0600, Anthony Cruz wrote:
> > Hi users:
> > I have a question about g_covar for essential dynamics.  What structure I
> > better use to fit, the average or the first structure of the trajectory?
> > Because the result will change depending in this selection.
>
> It's probably better to use the average. We'll probably try to implement
> another method that doesn't require superposition.
>
> > Thanks
> > Anthony
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