[gmx-users] trr-file format

Christoph Freudenberger christoph.freudenberger at chemie.uni-ulm.de
Thu Mar 20 09:15:49 CET 2003


Andre Farias de Moura wrote:
> dear all,
> 
> I would like to know the fortran format of
Is there some special reason, why you want to code
your tools in fortran?

If you'd write them in C you could use all the
nice gmx-routines for fileIO, groups, linear algebra etc.
In $GMXDATA/template/ you'll
find a demo program that will show you how
to do it. The other way is to take the source code
of a gmx-tool that does something similar to what you
want and just alter the code to fit your desires.

It's quite easy, even me learned ho to do that ;-)

regards
-- 
Christoph Freudenberger
Abt. Organische Chemie I AK Siehl - Uni Ulm -Tel: ++49-731-502-2785




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