On Monday, August 6, 2012 7:56:53 PM UTC+2, Christoph Junghans wrote: > > Hi, > > first of all, this question belongs on the votca mailing list not the > votca-ctp list! > > Ouch, sorry - must have signed up to the wrong one. Will continue on the correct list.
Thanks, Massimo > 2012/8/6 massimo sandal <[email protected]>: > > 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 [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-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 view this discussion on the web visit https://groups.google.com/d/msg/votca/-/DHza196Rr-IJ. 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.
