[gmx-users] How to write each frame to separate files with trjconv?

David van der Spoel spoel at xray.bmc.uu.se
Thu Dec 8 18:35:02 CET 2005


Xiaobing Feng wrote:
> Dear gmx-users,
> 
>     I need to extract each frame from a big traj.xtc file, 
> and write each of them to a separate file. I noticed that
> trjconv has this function. However, I tried with 
> 
>   trjconv -sep -f traj.xtc
> 
> 
>  it still writes all frames to a single file.
-sep is applied to pdb or gro files only. You can do it in two runs of
course if you want single frame xtc files.

> 
> I'm numb, I didn't figure it out how to let it write to
> separate files. Could somebody tell me how to do that?
> 
>   Many thanks in advance.
> 
>   Yours,
> 
>   Xiaobing
> 
> 
> 	
> 
> 	
> 		
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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