[gmx-users] extracting specfic trajectories?

[Justin A. Lemkul]

minnale wrote:
>  
> Thanks Justin for your prompt response,
> I have issued the command
> trjconv -f 5ns_trj.xtc -skip 1000 -o every1000steps.xtc, means the 
> output trajectory will contain only 1000th step interval values till 
> 5ns, excluding remaining. How can I know that whether generated 
> trajectory file right or wrong? 

The value passed to -skip is the number of frames to skip, not necessarily the 
time interval or number of steps that are skipped.

You can check the resulting trajectory with gmxcheck.

-Justin

> Thanks alot for any suggestion.
> On Sat, 13 Sep 2008 Justin A.Lemkul wrote :
>  >
>  >
>  >minnale wrote:
>  >>  Hi all,
>  >>I have run the simulation with 100 steps interval in .log file till 
> 5ns, now I want to extract the new trajectory file should conatin with 
> 1000 steps inerval trajectories excluding remain steps. I want new 
> trajectory like 1000, 2000, 3000, 4000, 5000,....... steps.
>  >>Could anyone tell me detail suggestion please.
>  >>Thanks in advance.
>  >>
>  >
>  >Trajectory manipulations are done with trjconv.  Have a look at 
> trjconv -skip.
>  >
>  >-Justin
>  >
>  >>
>  >>
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>  >-- ========================================
>  >
>  >Justin A. Lemkul
>  >Graduate Research Assistant
>  >Department of Biochemistry
>  >Virginia Tech
>  >Blacksburg, VA
>  >jalemkul[at]vt.edu | (540) 231-9080
>  >http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>  >
>  >========================================
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-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================