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?
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.
