[gmx-users] Format of .trr file

[Mark Abraham]

On Sun, Mar 24, 2013 at 3:35 PM, sudipta <sudipta.mml at gmail.com> wrote:

> Hi,
>
> Thank you very much for your reply. I appreciate your answer. However, if I
> wish to read that file using C/Fortran interface then which C routine
> should be convenient. There are several options. I found another
> tool*gmxdump
> * which basically read the .trr file and gives the output. Can I link that
> executable with fortran? If so how to do that? I have seen the source code
> but there are several header files and several routines. I read that C
> program very carefully but it is difficult to figure it out which portion
> is important. Can you guide me in this regard?
>

If you have to write in FORTRAN, then there's no advantage to using any
interface other than the one in the xdrfile package on the GROMACS website.
That's still not really designed to be callable from FORTRAN, but it's
probably possible.

Mark