Hi, Also, if you have any trouble with the parser let us know, I implemented the lammps data reader but it has not been heavily tested.
On Monday, October 15, 2018 at 5:23:52 AM UTC-6, [email protected] 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? > > 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 [email protected]. To post to this group, send email to [email protected]. Visit this group at https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
