[gmx-users] save the trajectory

leila salimi leilasalimi at gmail.com
Fri Mar 4 16:32:20 CET 2016


Hi Dries,

Thanks. Actually I am doing like this. but it is too much.
I am thinking to find a better way!


Regards,

On Fri, Mar 4, 2016 at 4:28 PM, Dries Van Rompaey <
dries.vanrompaey at gmail.com> wrote:

> Hi,
>
> You could use gmx mindist with suitable index groups to find out the
> distance between the surface and the polymer as a function of the time.
> Then you can use trjconv with the b and e flags to get that part of the
> trajectory.
>
> Kind regards
>
> Dries
> On 4 Mar 2016 4:11 p.m., "leila salimi" <leilasalimi at gmail.com> wrote:
>
> > Dear gmx useres,
> >
> > I have a question. I am interested to have some part of trajectories that
> > is important for me!
> > For example only I like to have the trajectory when the polymer close to
> > the surface, not when it is in the solution!
> >
> > Is there any solution to do with gromacs?
> >
> > Thanks very much.
> > Leila
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