[gmx-users] converting trj frame to pdb

[Rainer Boeckmann]

hi Luke, Phuong,

...to get a specific frame (here at 3000ps)  instead of the whole trajectory as
a nmr-pdb file use additionally the -dump option, e.g.

trjconv -f traj.xtc -s template.pdb -o time_3000ps.pdb -dump 3000

cheers,
rainer

Nguyen Hoang Phuong wrote:

> >
> > Dear all,
> >
> >   I want to take a frame from a trajectory and convert the coordinates to
> > a format like pdb to make a picture in software such as rasmol.  Is there
> > a particular command that will do this in gromacs?
> > Thanks!
> >
> > sincerely,
>
> Dear Luke Czapla,
>

>
>
> regards,
>
> Phuong
>
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--
Rainer Böckmann
Theoretical Molecular Biophysics Group
Max-Planck-Institute for Biophysical Chemistry
Am Faßberg 11
D-37077 Göttingen

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