[gmx-users] using fortran for xtc files

[Tsjerk Wassenaar]

Hi Gurpreet,

Try to get your hands on the original CONCOORD source code
(http://www.mpibpc.gwdg.de/groups/de_groot/concoord/ ; version 1.2
will do). It is written in fortran, and includes the routines to read
and write xtc files.

Best,

Tsjerk

On 3/24/07, singh <singh at biophysik.chemie.uni-dortmund.de> wrote:
>
>
>
>
> Dear Gromacs users,
>
>
>
> I am trying to read and write xtc files in fortran . Firstly, I couldn't
> find the file in source directory
> $(GMXHOME)/src/gmxlib/testxtcf.f  in gromacs-3.3.1 as
> mentioned on
> http://www.gromacs.org/documentation/reference_3.3/online/xtc.html.
> Even if i copy the code and compile it using the linker options mentioned on
> the page, I get the following error
>
>
>
> In file test.f:12
>
> 10   call readxtc(xd,natoms,step,time,box,x,prec,ret)
>
>   1
>
> Warning: Label 10 at (1) defined but not used
>
> /usr/bin/ld: cannot find -lxtcf
>
> collect2: ld returned 1 exit status
>
> make: *** [test] Error 1
>
>
>
> Any help is appreciated.
>
>
>
> With Regards,
>
> Gurpreet Singh
>
>
>
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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623