[gmx-users] Length of .xtc file in frames for C-Code

[Mark Abraham]

The xtc reading does this kind of guesswork seeking automatically, IIRC.

Mark
On Apr 3, 2014 10:12 PM, "Tsjerk Wassenaar" <tsjerkw at gmail.com> wrote:

> Hi GtrAngus,
>
> That's not possible, because the size of a frame is not fixed in XTC
> format. You can get an estimate by dividing the size of the file by the
> size of the first frame. That may not be accurate, though.
>
> Cheers,
>
> Tsjerk
> On Apr 3, 2014 6:31 PM, "GtrAngus" <maps99 at online.de> wrote:
>
> > Hi :)
> >
> > I have a question to all the people who are familiar with C-code. How
> can I
> > read in the total number of frames in my *.xtc file? Especially when I do
> > the analysis somewhere in the middle?
> >
> > E.g: I have a file with 100.000 frames. When I start the programm with
> >
> > ./program -f traj.xtc
> >
> > then I want somewhere in my code something like:
> >
> > int totalnumerbofframesyouareanalyzing = 100.000
> >
> >
> > When I do the same with:
> >
> > ./program -f traj.xtc -b 20.000
> >
> > then I want in my code:
> >
> > int totalnumerbofframesyouareanalyzing = 80.000
> >
> > Thanks for your help!
> > GtrAngus
> >
> > --
> > View this message in context:
> >
> http://gromacs.5086.x6.nabble.com/Length-of-xtc-file-in-frames-for-C-Code-tp5015607.html
> > Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
> > --
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