Dear all, I'm a new user of VOTCA, and have tried to install VOTCA on my Mac book pro. Firstly, I have tried to build a version without gromacs. Everything seems OK, but when I tried to repeat the tutorial (I run the gromacs on our local server and downloaded the output files)
when I use csg_dump --top topol.tpr It reported an error occurred: input format not supported: topol.tpr So would anyone please help me to understand why this thing happens and how to fix it? Furthermore, when I installed gromacs 4.0.7 into my mac book, and re-built the VOTCA, it still report: -- Could NOT find GROMACS (missing: GROMACS_LIBRARY GROMACS_INCLUDE_DIR) CMake Error at src/libcsg/CMakeLists.txt:25 (message): gromacs not found, make sure you have installed at least the gromacs-4.0.7 and it's dev package. If the gromacs module was not found above, make sure you have sourced GMXRC or set PKG_CONFIG_PATH yourself. If you have a double precision version of gromacs enable to build against it with -DGMX_DOUBLE=ON. If you have gromacs-5.0 installed enable to build against it with -DWITH_GMX_DEVEL=ON. Gromacs support can be disable it with -DWITH_GMX=OFF. -- Configuring incomplete, errors occurred! Seems it can not find the gromacs. How to make build.sh find the gromacs? Thanks! -- 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 http://groups.google.com/group/votca?hl=en. For more options, visit https://groups.google.com/groups/opt_out.
