[gmx-users] Accelerating data analysis.

[Dawid das]

Dear All,

Thank you all. Especially for your tip Erik ;).

Dawid

2015-09-15 13:42 GMT+01:00 Erik Marklund <erik.marklund at chem.ox.ac.uk>:

> Dear Dawid,
>
> The best thing I can think of is to analyse different parts of the
> trajectory in parallel, using separate g_rms processes, then concatenating
> the output. Use -b and -e options to limit the analysis to specific
> intervals.
>
> Kind regards,
> Erik
>
> > On 15 Sep 2015, at 13:37, Dawid das <addiw7 at googlemail.com> wrote:
> >
> > Dear Gromacs Experts,
> >
> > I have an enormous *trr file, which has 1 000 000 points. Now, I know
> that
> > I can modify this file with trjconv, but let's say I do not want to do
> it,
> > but I want to have my 1 000 000 points in *xvg file when I use g_rms for
> > instance.
> > Is there a way to accelarate it?
> >
> > Best wishes,
> >
> > Dawid Grabarek
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