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.
