It works! Thanks! On Thursday, March 7, 2013 5:15:16 PM UTC-7, Christoph Junghans wrote: > > 2013/3/7 永乐李 <[email protected] <javascript:>>: > > 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] <javascript:>. > > To post to this group, send email to [email protected]<javascript:>. > > > 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 >
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