[gmx-users] essential dynamics

[Anthony Cruz]

Thank you for your answer.

The other question is when I do the cosen content analysis I suppose to use 
the principal components that have the lower conten??

Thanks Anthony

On Tuesday 09 August 2005 12:23 am, David wrote:
> On Mon, 2005-08-08 at 16:45 -0600, Anthony Cruz wrote:
> > Hi Users:
> > I am interested in perform essential dynamics analysis to my simulation
> > and I have some questions.
> > For the analysis I will use the part of the trajectory when the rmsd is
> > constant or all the trajectory?
>
> Assuming you have an equilibrium trajectory you should use all. If you
> only want to study what happens very close to the crystal structure you
> could use a subset, but how do you justify that?
>
> > When I do the Posen cosen analysis, I will use the PC's that have the
> > lower values?
>
> Don't understand the question.
>
> > Thanks
> > Anthony
> > _______________________________________________
> > gmx-users mailing list
> > gmx-users at gromacs.org
> > http://www.gromacs.org/mailman/listinfo/gmx-users
> > Please don't post (un)subscribe requests to the list. Use the
> > www interface or send it to gmx-users-request at gromacs.org.