[gmx-users] extract conformations !!

[Justin A. Lemkul]

Anamika Awasthi wrote:
>
> Dear Friends,
>        I want to extract conformations of each 1 ns from my 10 ns 
> simulation.
>        My this job is running for 20 ns, so shall I first stop my job 
> and then do this?
>        I tried this command without stopping my job
>         trjconv -f *.trr -o *.pdb -s *.tpr -b -0 -e -10 -dump -1000
>

Use trjconv -sep -skip to write frames to .gro or .pdb files.  It will 
be faster than dumping out individual frames manually.

-Justin

>        Please tell me the solution of my this problem
>
>      Thanks
>         Anamika
>
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-- 
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Justin A. Lemkul
Graduate Research Assistant
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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