[gmx-users] Rarefied trajectory

Tsjerk Wassenaar tsjerkw at gmail.com
Wed Feb 3 07:30:59 CET 2016


Hi Timofey,

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

Cheers,

Tsjerk
On Feb 3, 2016 7:22 AM, "Timofey Tyugashev" <tyugashev at niboch.nsc.ru> wrote:

> If need to generate for analysis a trajectory with fewer frames than in
> the original one (get 1000 frames from 10ns trajectory with 10000 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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