Dear all, Sorry, that was a mistake on my part. I am actually using the .tpr files. The command was: csg_boltzmann --top topol.tpr --cg map5-gly-pro-pro.xml --excl --trj traj.trr
sorry for the confusion. Patrick On Tue, Oct 11, 2011 at 12:40 PM, Sebastian Fritsch < frit...@mpip-mainz.mpg.de> wrote: > 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. > > -- 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.
