[gmx-users] using fortran for xtc files

[David van der Spoel]

Jones de Andrade wrote:
> Hi
> 
> The future xml format will be great. And no, cause I can always links my 
> fortran codes to C routines... It's just "ugly".
> 
> Thanks for the clue in grompp.c file. :)
> 
> Now that you've mentioned, why couldn't I use the .tpr files? Shouldn't 
> it be like reading the .xtc files, written by a C written program?
> 
> Cause it seems that the .tpr will have the data in a more compact and 
> definitive way, instead of the possibility of thousands of reads due to 
> the include files.
> 
> Even so, the worst that could happen would be to use the grmacs C 
> routines to read the .tpr file. Could you tell me which files should I 
> look at, in this case?
> 
> Thanks a lot in advance!
src/gmxlib/tpxio.c

The problem is that there are complicated data structures which are hard 
to map to fortran.

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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