On Tue, Oct 1, 2013 at 8:34 PM, Christoph Junghans <[email protected]>wrote:
> There is a typo in your settings.xml, type2=C instead of D. > Anyhow after changing that I did: > Thanks. It worked for me now. > $ csg_stat --nt 8 --top topol.tpr --trj conf.gro --options > settings.xml --cg pc_new_cg.xml > $ csg_stat --nt 8 --top topol.tpr --trj conf.gro --options > settings_all.xml --cg pc_new_cg.xml --ext dist_all.new > and > $ echo -e "a B?\na D?\nq" | make_ndx -f conf.gro > $ echo -e "B?\nD?" | g_rdf -s topol.tpr -f conf.gro -n index.ndx -bin 0.01 > If you now look at plot > gnuplot> p "rdf.xvg" w l,"B-D.dist.new" w l, "B-D.dist_all.new" w l > > you will see that rdf.xvg, B-D.dist.new and B-D.dist_all.new exactly the > same. > > I am not sure where your original difference came from. The only > things, which might make a difference is the "--begin 20", but you > can do the same with the -"b- option of g_rdf. > The distribution matches very well. > > > > >> > >> We need to document that better, patch for the manual are welcome! > >> <https://code.google.com/p/votca/wiki/Manual> > >> > > Are you suggesting me to incorporate patches to the manual. If so, I > > followed the above link but could not figure out how can I do it. > The "Contributing a change" paragraph tells you how to submit updates > to the manual. > As you have already built the manual in past, it should be an easy thing. > I will give a try. > > Cheers, > > Christoph > > > > -- > Christoph Junghans > Web: http://www.compphys.de > > -- > 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. > Chandan -- 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.
