[gmx-users] trjcat -settime

[Justin Lemkul]

On 7/14/18 5:23 AM, Atila Petrosian wrote:
> Dear gromacs users,
>
> I did 2 md simulations: first 500 ps (a.trr) and second 1000 ps (b.trr).
>
> I want to join these trajectories. I used following command:
>
> gmx trjconv -f a.trr b.trr -o all.trr -settime
>
> Summary of files and start times used:
>
>
>                    File       Current start (ps)       New start (ps)
> ------------------------------------------------------------------------------
>                    nvt.trr        0.000 ps                       0
>                    npt.trr        0.000 ps                   600
>
>
> Is my manner true?

If the second is supposed to start at 500 ps, then you shouldn't be 
specifying 600 ps, but otherwise, yes, this is the approach to take.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

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