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.
mixture.xml
Description: XML document
