[gmx-users] Re: trjconv
ramezanpour.mohsen at gmail.com
Mon Nov 8 08:56:23 CET 2010
of course I could generate a pdb file without -b and -e options,but I don't
besides I did the same process with xtc file and I resulted in a 0 byte file
On Mon, Nov 8, 2010 at 11:21 AM, mohsen ramezanpour <
ramezanpour.mohsen at gmail.com> wrote:
> 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
>>> 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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