On Tuesday, May 19, 2015 at 4:10:07 PM UTC+2, Christoph Junghans wrote: > > Hi, > > > Yes, the tag is called cg.inverse.map! See the hexane/ibi_bonded > example, where hexane_cg.xml is a simple 1:1 map to add extra bonded > interaction and hence exclusions. > > Christoph >
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