[gmx-users] How to make a program run on the trajectory
dgilgmx at gmail.com
Mon Sep 19 00:13:53 CEST 2016
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.
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,
> On Fri, Sep 16, 2016 at 8:23 PM, prasun kumar <prasun30 at gmail.com
> > 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
> > 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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