Oh, sorry, I read topol.tpr at the beginning. I had a similar problem before. This may be useful? http://groups.google.com/group/votca/browse_thread/thread/d24203fb92647bb9
Valentina On Oct 11, 12:52 pm, Patrick Kiley <pjki...@gmail.com> wrote: > I seem to remember that there used to be a --conf-opts option for build.sh > that enabled me to build static libs. Does this still exist? I just tried > using it, but it doesn't seem to be recognized. > > Patrick > > > > > > > > On Tue, Oct 11, 2011 at 12:48 PM, Patrick Kiley <pjki...@gmail.com> wrote: > > 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.
