Hi Patrick, to generate the CG histograms you need a new mapping file. It should should contain a simple 1:1 mapping of your CG beads. If you keep the names of CG beads consistent with the names in the "atomistic" map.xml file, you can reuse the definitions of bonded interactions for your CG.xml file.
Best regards, Dominik On 08/03/2011 07:31 PM, Patrick Kiley wrote: > Dear all, > > I would like to perform an analysis similar to that presented on page > 21 (section 5.2 Statistical Analysis) of the Votca 1.2 manual. To do > this I need to generate two histograms, one corresponding to the > atomistic simulation and one corresponding to the cg simulation. > > How does one generate the data for the coarse grained histogram? I > tried using csg_boltzmann, but of course it doesn't recognize the > cg .tpr file/map.xml combination. > > Any suggestions would be greatly appreciated. > > Kind regards, > Patrick > > -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
