[gmx-users] trjconv: choosing name for a large number of output gro files

[Abhi Acharya]

Hello,

You can use the -sep flag  with trjconv command ave your output files
serially numbered from 0.


Regards
Abhishek


On Wed, Apr 29, 2015 at 10:12 PM, Athina Meletiou <enxam16 at nottingham.ac.uk>
wrote:

> Dear Gromacs users,
>
> I want to use trjconv to extract frames from a long simulation in implicit
> solvent. I am wondering though if there is a way to predefine the filenames
> of the output .gro files.
>
> Let's say that I want to get 10 .gro files that would go by the names*
>
> 00000.gro
> 00001.gro
> 00002.gro
> 00003.gro
> 00004.gro
> 00005.gro
> 00006.gro
> 00007.gro
> 00008.gro
> 00009.gro
> 00010.gro
>
> *(in reality I want 10000 frames each time, so 00000.gro up to 09999.gro)
>
> Is it possible to do it directly through Gromacs/trjconv? I will have
> thousands of files to go through little by little, so I thought it would be
> good if I could avoid having to rename them with a script afterwards, if
> it's possible to directly name them through trjconv.
>
> Any help would be greatly appreciated :)
>
> Thank you very much in advance.
>
>
>
>
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