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.
