[gmx-users] using fortran for xtc files
singh
singh at biophysik.chemie.uni-dortmund.de
Sat Mar 24 18:54:12 CET 2007
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
-------------------------------------------------
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