[gmx-users] Rarefied trajectory

[Timofey Tyugashev]

If need to generate for analysis a trajectory with fewer frames than in 
the original one (get 1000 frames from 10ns trajectory with 1 
frames), what approach would be better:

Use gmx trjconv with option '-skip 10',
Or use gmx filter with options '-ol lowpass.xtc' and '-nf 10'?
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Re: [gmx-users] Rarefied trajectory

[Tsjerk Wassenaar]

Hi Timofey,

For further analysis you want trjconv. Filtering may yield nonphysical
structures.

Cheers,

Tsjerk
On Feb 3, 2016 7:22 AM, "Timofey Tyugashev"  wrote:

> If need to generate for analysis a trajectory with fewer frames than in
> the original one (get 1000 frames from 10ns trajectory with 1 frames),
> what approach would be better:
> Use gmx trjconv with option '-skip 10',
> Or use gmx filter with options '-ol lowpass.xtc' and '-nf 10'?
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> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
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