Hi,

I see that you have built votca with "--minimal" option, which also
disables the Gromacs support by setting "-DWITH_GMX=OFF".

Try rebuilding with "-DWITH_GMX=ON". Then it should be able to process
gromacs files.

Also, please send the queries to votca user group votca@googlegroups.com .
There are other experts and users who would be able to answer your
quesitons better.

Best,
Sikandar

On Mon, Oct 17, 2016 at 10:04 AM, Sahithya S Iyer <
sahit...@mbu.iisc.ernet.in> wrote:

> Hi Sikandar,
>
> I am a graduate student in India. I am trying to get my head around on how
> to be
> able to run votca with gromacs input files. I am writing to you as i see
> you
> have help in google groups on the same topic.
>
> These are the following steps i am following in the installation -
>
> prefix=/usr/local/votca
> sudo mkdir -p ${prefix}/src
> cd ${prefix}/src
> sudo curl -O https://raw.githubusercontent.com/votca/buildutil/master/
> build.sh
> sudo chmod +x build.sh
> sudo ./build.sh --prefix ${prefix} --minimal -DWITH_FFTW=ON -DWITH_GSL=ON
> -ud
> gromacs tools csg
>
> added the following files to by bashrc and bash_profile respectively -
>
> source /usr/local/votca/bin/GMXRC
> source /usr/local/votca/bin/VOTCARC.bash
>
> I am not trying to run the spce tutorial. I generated the tpr file using
> the
> grompp command and inputs as given the the "atomistic" folder of spce
> tutorial.
> I have also run an mdrun of the same to generate trr and confout.gro files.
>
> When i try mapping -
> csg_map --top topol.tpr --trj confout.gro --out CG-conf.gro --cg water.xml
>
> I get the following error -
> an error occurred:
> input format not supported: topol.tpr
>
> Can you please tell me where i am going wrong ..
>
> Thanks for your time.
>
> --
> Sahithya S Iyer
>
>
>
>
> --
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