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

[Justin Lemkul]

On 4/3/14, 10:10 AM, GtrAngus 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
>

Why reinvent the wheel?  You can use all of the built-in Gromacs .xtc I/O 
routines; see http://www.gromacs.org/Developer_Zone/Programming_Guide/XTC_Library

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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