Hello Patrick,
you need to use the topol.tpr which is the binary form of the topol.top. To get the .tpr you have to run the gromacs preprocessor (grompp). -Sebastian > Dear all, > > I have recently recompiled GROMACS on my machine, and therefore have > needed to recompile VOTCA. > > Here is how I did it: > 1) source gromacs > 2) sudo ./build.sh -R -dcu --release 1.2.1 --prefix=/home/votca/ > tools csg > > This finishes with no errors, so I thought everything should be OK. > However, when I run this command: > csg_boltzmann --top topol.top --cg map.xml --excl --trj traj.trr > > I get this error: > an error occurred: > input format not supported: topol.top > > To me this means I have somehow compiled without GMX support, but how > could this be and how can I fix it? One other thing, I have compiled > gromacs with static libs, so maybe I need to tell the build script > this explicitly? > > Thanks for any help you can give, > > Patrick Kiley > > -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to votca@googlegroups.com. To unsubscribe from this group, send email to votca+unsubscr...@googlegroups.com. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
