2015-10-14 13:32 GMT-06:00 CHANG <[email protected]>: > Dear VOTCA, > > I understood the argument for --map-ignore. The argument is defined in > <name> </name> in xml files. If I would like to ignore the SecondMol and > ThirdMol, I use the following command. > > cag_gmxtopol --top topol.tpr --out FirstMol.top --cg > "FirstMol.xml;SecondMol.xml;ThirdMol.xml" --map-ignore "SecondMol;ThirdMol" Not quite, --map-ignore ignore allows to give molecule names (or pattern ending/beginning with "*") separated by ";" to ignore. These name don't necessarily have to correspond to the name of the mapping files!
> > Thanks. > > Best regards, > Changwoon Jang > > > On Wednesday, October 14, 2015 at 2:57:46 PM UTC-4, CHANG wrote: >> >> Dear VOTCA users, >> >> I am trying to generate CG topology file using csg_gmxtopol. I have >> three xml files for three types of molecules. I understand that it cannot >> create multiple molecules topologies. Therefore, I need to use --map-ignore >> option. I am not sure what the argument for --map-ignore options is. >> >> Is this xml file or name defined in each xml files? >> >> Can I use a separate run of csg_gmxtopol like? >> >> csg_gmxtopol --top topol.tpr --out FirstMol.top --cg FirstMol.xml >> >> csg_gmxtopol --top topol.tpr --out SecondMol.top --cg SecondMol.xml >> >> csg_gmxtopol --top topol.tpr --out ThirdMol.top --cg ThirdMol.xml >> >> The topol.tpr is the atomistic trajectory for all three molecules. >> >> Thank you very much for your help. >> >> >> Best regards, >> Changwoon Jang, >> > -- > 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/d/optout. -- 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/d/optout.
