[gmx-users] gmx select and gmx trjconv or gmx density

[Dan Gil]

Thank you Dr. Abraham!

I think I will write a script to do the analysis then.

Best Regards,

Dan

On Mon, Apr 9, 2018 at 12:57 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> Unfortunately not all tools support dynamic selection groups yet, so the
> only useful way to use that index file is by matching it with the correct
> single frame from the trajectory, which you might get from e.g. gmx trjconv
> split
>
> Mark
>
> On Fri, Apr 6, 2018, 21:37 Dan Gil <dan.gil9973 at gmail.com> wrote:
>
> > Hi,
> >
> > I am trying to select particles that are z < 20 and z > 10 as a function
> of
> > time.
> >
> > I think I used gmx select correctly and generated an index file with
> group
> > names like "(z_<_.8_f2882_t23056.000)"
> >
> > Now I am unsure how I use this index file for gmx trjconv or gmx density.
> > Does anybody have some advice?
> >
> > Thanks in advance.
> >
> > Best Regards,
> >
> > Dan Gil
> > PhD Student
> > Case Western Reserve University
> > Department of Chemical and Biomolecular Engineering
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