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. > Hi again,
what exaclty do yo mean by "it does not recognize the file/map combination"? Can you give es the files/ error messages? What could be useful for you is to look at the topology using csg_dump which simply puts out the topology the way votca sees it. Cheers Sebastian > 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.
