On Sun, Mar 24, 2013 at 3:35 PM, sudipta <[email protected]> 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 -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
