[gmx-users] Re: trjconv

[mohsen ramezanpour]

Dear justin

I checked what you said,yes,both of them(trr and xtc files) were completely
done as I wanted in my mdp file.

what is your points of view?

On Sun, Nov 7, 2010 at 9:15 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> Vitaly Chaban wrote:
>
>> Did you try to re-run your trajectory? Does the problem persist then?
>>
>>
>>
> Perhaps the faster solution would be to see what gmxcheck says about the
> trajectory.
>
> -Justin
>
>
>
>>  I have a trajectory with 20000 frames.
>>> i want to separate just 1000 last frames of it in pdb formt and 1000
>>> first
>>> frames too.
>>> I entered this command:
>>> trjconv  -f  mmm.trr  -o nnn.pdb -s  lll.tpr  -b 800  -e 1000
>>>
>>> actually my total time is 1000 ps.
>>> the process was  not  done completely!
>>> when I delete -e option it is done completely but the the result file is
>>> 0
>>> byte,then i can not earn anything.
>>> what is the problem?
>>>
>>> thanks in advance for your comments
>>> Mohsen
>>>
>>
> --
> ========================================
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> 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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