[gmx-users] How to make a program run on the trajectory

[prasun kumar]

Dear João and Dan

Thank you for the response and I am sorry for the confusion.

I will try explaining my query with one example:

In GROMACS, there are many programs available for the analyses of the
trajectory. One of them is "do_dssp".
For this purpose, one need to have dssp installed locally.

Similarly, I have written a program that runs on a PDB or gro file. Now I
want to make it run on a trajectory and seek guidance.

Hope I have made my point clear.


Regards
PK

PRASUN (ASHOKA)
Desire + stability = Resolution
Resolution + Hard work = Success

On Mon, Sep 19, 2016 at 3:43 AM, Dan Gil <dgilgmx at gmail.com> wrote:

> Hi Prasun,
>
> Does your question have to do with reading the .trr format?
>
> If you want, you could convert it into a friendlier format such as .gro.
> Use gromacs trjconv to convert from .trr to .gro format.
>
> Best Regards,
>
> Dan
>
> On Saturday, September 17, 2016, João Henriques <
> joao.henriques.32353 at gmail.com> wrote:
>
> > Dear Prasun,
> >
> > I am genuinely puzzled by your email. If taken literally, I'd have to
> > assume that you are stating that you don't know how to feed the
> trajectory
> > file as an argument to your programs, but that doesn't make any sense,
> > given that you explicitly say that you coded the programs yourself. If
> you
> > can code tools to run over binary files, such trivial matter can't be the
> > problem here...
> >
> > Therefore, could you please state more specifically what is it that you
> > can't accomplish? Please be more verbose as well, it should help.
> >
> > Thank you,
> > João
> >
> > On Fri, Sep 16, 2016 at 8:23 PM, prasun kumar <prasun30 at gmail.com
> > <javascript:;>> wrote:
> >
> > > Hello
> > >
> > > I have written some programs in Fortran and PERL.
> > > Now I want to make them run on a trajectory file (.trr).
> > > Can some body guide me for the same. I believe that it must be
> available
> > on
> > > net. However, I was not able to find so.
> > >
> > > Thanx in advance.
> > >
> > > Regards
> > > Prasun
> > >
> > > PRASUN (ASHOKA)
> > > Desire + stability = Resolution
> > > Resolution + Hard work = Success
> > > --
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