Hi, first of all, this question belongs on the votca mailing list not the votca-ctp list!
2012/8/6 massimo sandal <deviceran...@gmail.com>: > Hi, > > I have recently tried to use votca, and I have a problem. My grompp, mdrun > etc. filenames have suffixes (e.g. grompp_d is double precision) to > distinguish various compilation options/versions, and therefore VOTCA > executables can't find it. > How do I tell votca what is the Gromacs suffix I want to use? I can't find > this info on the manual. We don't support switching the suffix for all Gromacs executable at once, but there are two solutions to your problem: - you can specify the name of the binaries for grompp and mdrun explicitly in the xml file. - in votca-1.3 you can globally change the defaults names of all binaries called in csg_defaults.xml Cheers, Christoph > > Thanks, > Massimo > > -- > You received this message because you are subscribed to the Google Groups > "votca-ctp" group. > To view this discussion on the web visit > https://groups.google.com/d/msg/votca-ctp/-/CPMk-2yoguMJ. > To post to this group, send email to votca-...@googlegroups.com. > To unsubscribe from this group, send email to > votca-ctp+unsubscr...@googlegroups.com. > For more options, visit this group at > http://groups.google.com/group/votca-ctp?hl=en. -- Christoph Junghans Web: http://www.compphys.de -- 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.