[gmx-users] Getting pdb structure

[Amali Guruge]

Thank you all...

On Fri, Mar 25, 2016 at 7:52 PM, Erik Marklund <erik.marklund at chem.ox.ac.uk>
wrote:

>
> > On 25 Mar 2016, at 14:06, Erik Marklund <erik.marklund at chem.ox.ac.uk>
> wrote:
> >
> > gmx trjconv -f your.xc -s your.pr -o snapshot_at_8000.pdb -dump 8000
> >
>
> That should have been “-f your.xtc -s your.tpr”. I apologise on behalf of
> autocorrect.
>
> >> On 25 Mar 2016, at 13:30, Amali Guruge <amaligg2010 at gmail.com> wrote:
> >>
> >> Dear All,
> >>
> >> I want to get the pdb structure of the system in 8000 ps time. The whole
> >> simulation contains 20000 ps. How can I get the pdb structure of the
> system
> >> at that time?
> >> Can anyone help me?
> >>
> >> Thank you.
> >> --
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