[gmx-users] Re: trjconv

[mohsen ramezanpour]

It is surprising!,
Because I used -sep option But it made 20 pdb file separately  with 0 byte!

On Mon, Nov 8, 2010 at 11:26 AM, mohsen ramezanpour <
ramezanpour.mohsen at gmail.com> wrote:

> of course I could generate a pdb file without -b and -e options,but I don't
> want it.
>
> 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
>>> 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
>>>
>>> ========================================
>>>
>>> --
>>> gmx-users mailing list    gmx-users at gromacs.org
>>> http://lists.gromacs.org/mailman/listinfo/gmx-users
>>> Please search the archive at
>>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
>>> Please don't post (un)subscribe requests to the list. Use the www
>>> interface or send it to gmx-users-request at gromacs.org.
>>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>>
>>
>>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101108/ecd9ef48/attachment.html>