On Mon, Oct 15, 2018 at 5:23 AM <thomasmen...@gmail.com> wrote: > > Hi, > > I am trying to use VOTCA to realize the Boltzmann Inversion method to > generate some bond or angle potentials. However, my equilibrium configuration > is calculated from LAMMPS. So I wonder whether I could use directly the > lammps data file or make a special xml file to accomplish my goal? Or maybe > make a bit modifications in the original codes?
You are in luck, the development version now supports reading data files for the topology directly. Christoph > > Thomas Meng > > -- > 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.
