[gmx-users] Concatenating two trajectories

bipin singh bipinelmat at gmail.com
Wed Jul 20 13:26:45 CEST 2011


Thanks Sir,
I understood...

On Wed, Jul 20, 2011 at 16:46, Justin A. Lemkul <jalemkul at vt.edu> wrote:
>
>
> bipin singh wrote:
>>
>> Yes It is working....but I have not tried that, what would be the
>> difference if I don't give -cat option........
>>
>
> If the times are the same, then the second trajectory would have overwritten
> the first.  Please read the first paragraph of trjcat -h.
>
> -Justin
>
>> On Wed, Jul 20, 2011 at 16:16, Justin A. Lemkul <jalemkul at vt.edu> wrote:
>>>
>>> bipin singh wrote:
>>>>
>>>> Hello,
>>>>
>>>> I want concatenate two trajectories which have same number of frames
>>>> and they have written for identical time period i.e. the simulation
>>>> time is same for both the trajectories(for my case 100ns each) the
>>>> only thing differ is the temperature of simulation.
>>>> Please suggest me whether the below commands is right for
>>>> concatenating these two trajectories:
>>>>
>>>> trjcat -f 1.xtc 2.xtc -o concat.xtc -cat
>>>>
>>> Presumably.  Did you try it?  Did it work?
>>>
>>> -Justin
>>>
>>> --
>>> ========================================
>>>
>>> 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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>>
>>
>>
>
> --
> ========================================
>
> 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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-- 
-----------------------
Regards,
Bipin Singh



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