2017-04-19 13:18 GMT-06:00 Joshua Moore <jdmo...@ncsu.edu>: > Hello, > > During the dihedral measurement using csg_stat, is there a way to force the > distribution to be measured to be periodic? For example, measuring the > histogram at -Pi and adding that to the histogram at Pi? > > Is that with the <periodic> flag? I think csg_boltzmann supports that flag, but csg_stat does not.
You could certainly add that somewhere here: <https://github.com/votca/csg/blob/master/src/tools/csg_stat_imc.cc#L400> Christoph > > Something like this? > > <bonded> > <name>A_A_A_A_dihedral</name> > <periodic>1</periodic> > <min>-3.1415</min> > <max>3.1415</max> > <step>0.05</step> > </bonded> > > Thanks. > > Josh > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to votca+unsubscr...@googlegroups.com. > To post to this group, send email to votca@googlegroups.com. > Visit this group at https://groups.google.com/group/votca. > For more options, visit https://groups.google.com/d/optout. -- Christoph Junghans Web: http://www.compphys.de -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to votca+unsubscr...@googlegroups.com. To post to this group, send email to votca@googlegroups.com. Visit this group at https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
