Dear Patrick, unfortunately VOTCA cannot read the top files but just the .tpr. Please try again with a tpr.
Best, Victor 2011/10/11 Patrick Kiley <[email protected]>: > 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 [email protected]. > To unsubscribe from this group, send email to > [email protected]. > 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 [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
