csg_stat command

[梅乐]

Dear Sir

When i use the comand csg_stat --top topol.tpr --trj traj.trr --cg water.xml --options settings.xml, it occurs that Topology does not have beads of type "S1"

This was specified in type1 of interaction "MSN-MSN". I feel very confused, since i use the all-atom md.tpr  and then all-atom md.trr according to the manual. i don't know why it happens?

[Christoph Junghans]

I would run "csg_dump --top tool.tpr --cg water.xml" to see what beads Votca sees.

If you want to map multiple molecule types you have to specify multiple mapping files as well. E.g. with --cg 'water.xml;man.xml'

Christoph 

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