[gmx-users] using fortran for xtc files

Tsjerk Wassenaar tsjerkw at gmail.com
Sat Mar 24 21:30:17 CET 2007


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
>
>
>
> -------------------------------------------------
>
> University of Dortmund
>  Department of Chemistry
>  Physical Chemistry I  -  Biophysical Chemistry
>  Otto-Hahn Str. 6
>  D-44227 Dortmund
>  Germany
>  Office:   C1-06 room 176
>  Phone:  +49 231 755 3916
>
> Fax:     +49 231 755 3901
>
> -------------------------------------------------
>
>
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read
> http://www.gromacs.org/mailing_lists/users.php
>


-- 
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



More information about the gromacs.org_gmx-users mailing list