[gmx-users] essential dynamics
acb15885 at uprm.edu
Wed Aug 10 15:13:27 CEST 2005
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??
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
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