[gmx-users] Re: trjconv
ramezanpour.mohsen at gmail.com
Mon Nov 8 08:51:37 CET 2010
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
>> I have a trajectory with 20000 frames.
>>> i want to separate just 1000 last frames of it in pdb formt and 1000
>>> 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
>>> byte,then i can not earn anything.
>>> what is the problem?
>>> thanks in advance for your comments
> 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
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