[gmx-users] trjconv -s

[Chandan Choudhury]

On Tue, Sep 16, 2014 at 7:35 PM, xy21hb <xy21hb at 163.com> wrote:

> Dear all,
>
>
> I have a .dcd trajectory with .psf from NAMD and would like to convert the
> trajectory to
>
> GMX format .gro or .trr by using trjconv.
>
>
> Would it be possible to do this without generating .tpr?
> If not, I wonder what other possible ways would be.
>

VMD can do it, I suppose.

> Thanks,
>
>
> Yao
>
>
>
>
>
> At 2014-09-16 09:59:45, "Mark Abraham" <mark.j.abraham at gmail.com> wrote:
> >On Tue, Sep 16, 2014 at 3:51 PM, xy21hb <xy21hb at 163.com> wrote:
> >
> >> Dear all,
> >>
> >>
> >> .tpr in trjconv is supposed to be optional, but it is in fact required.
> >>  Any thoughts about that?
> >>
> >
> >Ahem "in fact required for what I am trying to do" ;-) trjconv will insist
> >on a .tpr file if you ask it to do something that needs information it can
> >only get there. But since you haven't told us your trjconv command, or any
> >detail below, then we can't really help.
> >
> >Mark
> >
> >I have a .dcd trajectory and .psf from NAMD and would like to convert to
> >> GMX format.
> >>
> >>
> >> Thanks,
> >>
> >>
> >> Yao
> >> --
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-- 

--
Chandan Kumar Choudhury
National Chemical Laboratory, Pune
India

*"All work and no play makes Jack a dull boy...”*