Hi, First, sorry about the vagueness of my original email. However, I think Dominik managed to figure out what I was asking. I will make a cg mapping file and proceed from there.
regards, Patrick On Aug 4, 3:07 pm, Dominik Fritz <[email protected]> wrote: > 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.
