Hi Scott, The --top flag takes tpr file as an input.
Chandan -- Chandan kumar Choudhury NCL, Pune INDIA On Thu, Sep 19, 2013 at 5:13 AM, Scott Sides <[email protected]> wrote: > Ok, I'll get on that. Couple of questions first > > I'm working from the manual for votca 1.2.3 and some of the commands arent > working for the propane > tutorial. For example > > csg_gmxtopol --top topol.tpr --cg propane.xml --out out.top > > > Isnt working for me. For one thing... I dont see a topol.tpr file. When I > try > > > stc-24459s:single_chain ssides$ csg_dump --top topol.top > > an error occurred: > > input format not supported: topol.top > > > is the result. The topol.top file is the cloest thing to a topology file > that the manual refers to. > > > Thanks, > > Scott > > > On Wednesday, September 18, 2013 2:46:14 PM UTC-6, Scott Sides wrote: > >> Christoph, >> >> I'd like to run the propane example with lammps (I've managed to get >> the spce example running and its very informative). >> I've looked at the lammpsreader.cc page you've listed in other posts. I >> was wondering if you could give a quick outline of steps >> needed to bring the propane example up to speed with lammps. >> >> >> thanks, >> Scott W Sides (NREL) >> >> -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to [email protected]. > To post to this group, send email to [email protected]. > Visit this group at http://groups.google.com/group/votca. > For more options, visit https://groups.google.com/groups/opt_out. > -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at http://groups.google.com/group/votca. For more options, visit https://groups.google.com/groups/opt_out.
