[gmx-users] Simple way to get last structure from trajectory.

[Sergio Perez]

Yes, I understand that, in that case you know how long the simulation is.
But what if I don't know how many frames the simulation has  can I access
it directly? Or do I need to do a gmx check to see how long the trajectory
is?

On Tue, Feb 26, 2019 at 12:11 PM aditi singh <aditi225 at gmail.com> wrote:

> You have to dump the last frame: for example*  -10000 *for a 10000ps/10ns
> trajectory
>
> On Tue, Feb 26, 2019 at 4:31 PM Sergio Perez <sperezconesa at gmail.com>
> wrote:
>
> > Dear gmx comunity,
> >
> > I have tried to get the last structure from a trajectory using:
> >
> > gmx_d trjconv -pbc mol -ur compact -s topol.tpr  -f
> traj_comp.part0001.xtc
> >   -o out.gro -n index.ndx -dump -1
> >
> > But I get the first structure. Maybe the -1 syntax that is used in python
> > for example does not work here, althought the default value being -1
> makes
> > it a little confusing.
> >
> > I am using gmx 2018.1.
> >
> > In addition is there a way to get the last structure without knowing its
> > frame number (like I intended to do). Just to make easier automatization.
> >
> > Thank you all very much and keep up the good work!
> >
> > Sergio Pérez-Conesa
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>
> --
> Aditi
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