[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
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-request at gromacs.org.
> >
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>
More information about the gromacs.org_gmx-users
mailing list