[gmx-users] Saving trajectory with different output time steps

Dries Van Rompaey dries.vanrompaey at gmail.com
Fri Jun 24 09:21:14 CEST 2016


Hi,

You can use trjconv with the -skip flag to get your desired output.
On 24 Jun 2016 9:19 a.m., "Sanket Ghawali" <sanket.ghawali at gmail.com> wrote:

> Dear Gromacs user,
>
> I have 100ns trajectory in which the output steps are written every 5ps. I
> would like to save the same trajectory of 100ns with the output steps
> written at every 500ps.
> Is there any options available to do so ?
> Or do i need to perform the production run again making changes to the .mdp
> file i.e making nxtout = 250000
>
> Please help.
>
> Thanks & Regards
> Sanket.
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