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 [email protected] . 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 < [email protected]> 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 > > > > > -- > This message has been scanned for viruses and > dangerous content by MailScanner, and is > believed to be clean. > > -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
