2013/3/7 永乐李 <[email protected]>: > Hi all, > > Now I'm trying to use a system contains both lipid and water. But now how to > specify these two molecules? > I have tried using > > csg_dump --top testmd2.tpr --cg dope.xml ; water.xml ; is a character, which is interpreted by the shell (like * and ?) ; usually triggers a new command in most shells (like "command1; command2") To avoid this you need to protect it by quotes: csg_dump --top testmd2.tpr --cg "dope.xml;water.xml"
> > Just as what appears when I only specify the lipid cg-mapping file: > > WARNING: unknown molecule "SOL" with id 512 in topology > molecule will not be mapped to CG representation > Check weather a mapping file for all molecule exists, was specified in --cg > separated by ; and the ident tag in xml-file matches the molecule name > > But the WARNING still appears. So what need I do? > > -- > 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. > > -- 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?hl=en. For more options, visit https://groups.google.com/groups/opt_out.
