[gmx-users] Selections in gromacs

[Mark Abraham]

Hi,

If it's the same two molecules each time, then you can use a static index
group. Is it?

Mark

On Sun, Jan 6, 2019 at 8:41 PM Tuanan Lourenço <lourenco.tuanan at gmail.com>
wrote:

> Hi everyone,
>
> I am trying to use the "gmx trjconv" to write a new trajectory from my
> "main trajecetory" that contains just two molecules then they are close to
> each other in a specific distance. The idea is to have a new trajectory
> that contains these molecules in this specific distance in each frame and
> use this to calculate different properties such as msd. I also tried to use
> the "gmx select" with the option -ofpdb but this writes just an average of
> the positions, not for each frame. Has someone has some idea about how I
> can proceed?
>
> Thank you
> --
> __________________________________________________
> MSc. Tuanan C Lourenço
> Ph.D Student Physical Chemistry - Universidade Federal Fluminense
> Molecular Modelling and Computer Simullation Group - UFF
> MOLMOD-CS WEBSITE <http://www.molmodcs.uff.br/>
> --
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