Hi,

first of all, this question belongs on the votca mailing list not the
votca-ctp list!

2012/8/6 massimo sandal <deviceran...@gmail.com>:
> Hi,
>
> I have recently tried to use votca, and I have a problem. My grompp, mdrun
> etc. filenames have suffixes (e.g. grompp_d is double precision) to
> distinguish various compilation options/versions, and therefore VOTCA
> executables can't find it.
> How do I tell votca what is the Gromacs suffix I want to use? I can't find
> this info on the manual.
We don't support switching the suffix for all Gromacs executable at
once, but there are two solutions to your problem:
- you can specify the name of the binaries for grompp and mdrun
explicitly in the xml file.
- in votca-1.3 you can globally change the defaults names of all
binaries called in csg_defaults.xml

Cheers,

Christoph

>
> Thanks,
> Massimo
>
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-- 
Christoph Junghans
Web: http://www.compphys.de

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