[gmx-users] g_covar

[Tsjerk Wassenaar]

Hi Anthony,

If you want to do the covariance analysis on the combined
trajectories, you can first concatenate these with trjcat, with the
option -cat. As I've mentioned before, it doesn't matter which
structure you use for the superposition, as long as you use one for
all.

Cheers,

Tsjerk

On 8/22/05, Anthony Cruz <acb15885 at uprm.edu> wrote:
> 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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-- 
Tsjerk A. Wassenaar, M.Sc.
Groningen Biomolecular Sciencesand Biotechnology Institute (GBB)
Dept. of Biophysical Chemistry
University of Groningen
Nijenborgh 4
9747AG Groningen, The Netherlands
+31 50 363 4336