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 <[EMAIL PROTECTED]> 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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Physical Chemistry I - Biophysical Chemistry
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--
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
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