Dear Hossein, multiple molecules per xml is currfently not supported. Instead, put them in separate xml files an specify both files when calling csg_map, i.e.: csg_map --cg "mol1.xml;mol2.xml" ....
Cheers, Victor 2013/5/21 Hossein Motevaselian <[email protected]> > Hi > > I am trying to prepare a mapping file for a mixture with two distinct > molecules. However, when I use the command csg_map --top topol.tpr --trj > traj.trr --cg mixture.xml --out cg.gro, > only the molecule that comes first in the mixture.xml (which is attached > to this post) will be mapped and for the other one I get the warning: > "unknown molecule "SOL" with ..." > Do I need to create separate mapping files and combine them or it can be > done just by using unique "mixture.xml" file. I will appreciate it if you > can help me with this. > > P.S. I am using the same molecule names as in my atomistic topology file > > Bests, > Hossein > > -- > 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?hl=en. > 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?hl=en. For more options, visit https://groups.google.com/groups/opt_out.
